A0A087XYM8_POEFO Loading...

Citrate synthase

Key enzyme of the Krebs tricarboxylic acid cycle which catalyzes the synthesis of citrate from acetyl coenzyme A and oxaloacetate.

AlphaFold DB , UniProt , Accession A0A087XYM8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 469 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	32.4	Very low	240 Å²	240	154.1 Å²	154.1	100%	1.182	83%	0.832	S	S	*	*				0	77.8	0	-68.3	176	178.1	0	0	106.7
2	S	33.5	Very low	32.4	Very low	95 Å²	95	157.2 Å²	157.2	66%	0.664	83%	0.832	S	S	*	*				64.3	102.9	72	-153.1	0	0	0	0	113.7
3	F	28.8	Very low	32.5	Very low	204 Å²	204	156.4 Å²	156.4	90%	0.895	83%	0.827	S	S	*	*			trans	-157.3	90.1	145.4	-86	-71.9	0	0	0	106.7
4	L	31.4	Very low	32.6	Very low	131 Å²	131	157.9 Å²	157.9	69%	0.686	83%	0.834	S	S	*	*				68.2	87.6	91.5	-91.4	145.2	0	0	0	115	I6	L4-I6 HydrophobicContact CD2-CD1 4.33Å; L4-I6 HydrophobicContact CD2-CG1 4.26Å
5	T	36.7	Very low	32.6	Very low	138 Å²	138	157.1 Å²	157.1	85%	0.847	83%	0.831	S	S	*	*			trans	-63.2	135.2	146.6	28.8	0	0	0	0	111.5
6	I	32.2	Very low	33.4	Very low	156 Å²	156	153.8 Å²	153.8	80%	0.8	82%	0.824	S	S	*	*			trans	-138	127.4	153.6	-64	-175.5	0	0	0	110.2	L4	L4-I6 HydrophobicContact CD2-CD1 4.33Å; L4-I6 HydrophobicContact CD2-CG1 4.26Å
7	S	29.7	Very low	33.5	Very low	97 Å²	97	154.9 Å²	154.9	68%	0.678	82%	0.82	S	S	*	*			trans	-83.7	151.7	176	57.4	0	0	0	0	113.3
8	R	34.4	Very low	33.3	Very low	243 Å²	243	153 Å²	153	92%	0.917	81%	0.81	S	S	*	*			trans	32.5	114.2	141.6	-68.1	-177.8	177.4	-174.3	-0.5	118.5
9	L	28.5	Very low	33.4	Very low	173 Å²	173	148.5 Å²	148.5	91%	0.906	80%	0.797	S	S	*	*			trans	-141.9	119.7	141.6	-101.3	144.2	0	0	0	108.5
10	A	33.5	Very low	33.5	Very low	90 Å²	90	146 Å²	146	74%	0.744	79%	0.787	S	S	*	*			trans	-81.4	151.3	173.4	0	0	0	0	0	110.4
11	P	31.9	Very low	33.4	Very low	128 Å²	128	147.5 Å²	147.5	83%	0.831	78%	0.783	S	S	*	*			trans	-105.1	113.5	151.5	20.9	-3.9	0	0	0	109.9
12	K	32.4	Very low	33.2	Very low	191 Å²	191	142.5 Å²	142.5	83%	0.83	76%	0.76	S	S	*	*			trans	-75.8	150.7	154.1	-96.6	179.7	174.1	177.7	0	108.7
13	L	34.3	Very low	33.2	Very low	147 Å²	147	146.2 Å²	146.2	77%	0.77	77%	0.765	S	S	*	*			trans	84.9	89.4	158.2	-66.3	141.9	0	0	0	117.8
14	L	33.9	Very low	33.9	Very low	178 Å²	178	140.1 Å²	140.1	93%	0.932	74%	0.744	S	S	*	*			trans	-125.4	106.2	138.5	-94.4	158.4	0	0	0	108.1	S16	L14-S16 PolarHBondContact O-N 3.15Å
15	N	32.9	Very low	34	Very low	146 Å²	146	137.1 Å²	137.1	78%	0.781	74%	0.738	S	S	*	*			trans	-61.7	118.4	175.6	-112.9	-18.4	0	0	0	109.8	K17	N15-K17 VanDerWaalsContact C-N 3.33Å; N15-K17 PolarHBondContact O-N 2.88Å
16	S	44	Very low	33.8	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	59.6	-173.3	63.8	0	0	0	0	113.8	L14	L14-S16 PolarHBondContact O-N 3.15Å
17	K	36.2	Very low	34.5	Very low	172 Å²	172	136.2 Å²	136.2	75%	0.748	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	-16.1	169	-74.7	-169.8	176	-174.9	0	114.6	N15 Y21	N15-K17 VanDerWaalsContact C-N 3.33Å; N15-K17 PolarHBondContact O-N 2.88Å; K17-Y21 WeakPolarHBondContact O-CD2 3.19Å
18	N	30.4	Very low	35.2	Very low	121 Å²	121	137.2 Å²	137.2	65%	0.647	72%	0.724	S	S	*	*	S	Bend	trans	-99.1	-11.3	-176.6	-69.7	-7.8	0	0	0	114.4	T20	N18-T20 VanDerWaalsContact C-N 3.32Å; N18-T20 PolarHBondContact O-N 3.12Å
19	A	33.5	Very low	35.5	Very low	68 Å²	68	129.8 Å²	129.8	56%	0.562	72%	0.715	S	S	*	*	H	α-helix	trans	-70.9	-27.9	176.9	0	0	0	0	0	112.6
20	T	35.8	Very low	36.4	Very low	97 Å²	97	127 Å²	127	60%	0.595	71%	0.705	S	S	*	*	H	α-helix	trans	-72.6	-29.5	-179.4	-34.4	0	0	0	0	112.4	N18 V24	N18-T20 VanDerWaalsContact C-N 3.32Å; N18-T20 PolarHBondContact O-N 3.12Å; T20-V24 WeakPolarHBondContact O-CG2 3.32Å
21	Y	32.7	Very low	37.2	Very low	178 Å²	178	124.3 Å²	124.3	70%	0.698	68%	0.683	S	S	*	*	H	α-helix	trans	-81	-27.6	-178.8	-67.6	-74.3	0	0	0	113.4	K17	K17-Y21 WeakPolarHBondContact O-CD2 3.19Å
22	L	30.2	Very low	38.8	Very low	136 Å²	136	124.7 Å²	124.7	71%	0.712	69%	0.689	S	S	*	*	H	α-helix	trans	-74.8	-27.1	177.7	-89.5	147.6	0	0	0	113.1
23	F	34.9	Very low	41.4	Very low	173 Å²	173	117.5 Å²	117.5	76%	0.759	66%	0.661	S	S	*	*	H	α-helix	trans	-80.9	-18.8	177.1	-94.4	-83.8	0	0	0	114.3
24	V	42.4	Very low	44.3	Very low	76 Å²	76	113.2 Å²	113.2	46%	0.461	64%	0.641	S	S	.	*	H	α-helix	trans	-83.3	-36.2	179	178	0	0	0	0	110.9	T20 A26 R27	T20-V24 WeakPolarHBondContact O-CG2 3.32Å; V24-A26 VanDerWaalsContact C-N 3.28Å; V24-A26 PolarHBondContact O-N 3.02Å; V24-R27 PolarHBondContact O-N 3.36Å
25	A	33.1	Very low	47.3	Very low	67 Å²	67	107 Å²	107	55%	0.554	61%	0.609	S	S	*	*	H	α-helix	trans	-67	-26.4	178.5	0	0	0	0	0	113.6	R27 N28	A25-R27 VanDerWaalsContact C-N 3.27Å; A25-R27 PolarHBondContact O-N 3.19Å; A25-N28 PolarHBondContact O-N 3.39Å
26	A	34	Very low	50.4	Low	81 Å²	81	100 Å²	100	67%	0.669	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-5.1	-177.5	0	0	0	0	0	114.7	V24	V24-A26 VanDerWaalsContact C-N 3.28Å; V24-A26 PolarHBondContact O-N 3.02Å
27	R	45.8	Very low	53	Low	194 Å²	194	97.2 Å²	97.2	73%	0.732	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-6.9	174.3	-79.7	-172.4	174.4	-171	-0.5	114.3	V24 A25 A29	V24-R27 PolarHBondContact O-N 3.36Å; A25-R27 VanDerWaalsContact C-N 3.27Å; A25-R27 PolarHBondContact O-N 3.19Å; R27-A29 VanDerWaalsContact C-N 3.34Å; R27-A29 PolarHBondContact O-N 3.01Å
28	N	45.1	Very low	55.9	Low	118 Å²	118	92.6 Å²	92.6	63%	0.631	53%	0.53	S	S	*	.	S	Bend	trans	-89.2	24.9	-170.6	-74.5	-8.1	0	0	0	115.2	A25	A25-N28 PolarHBondContact O-N 3.39Å
29	A	40.5	Very low	59.2	Low	87 Å²	87	87.1 Å²	87.1	72%	0.719	50%	0.5	S	S	*	.	S	Bend	trans	-130	25.5	-167.3	0	0	0	0	0	116.4	R27	R27-A29 VanDerWaalsContact C-N 3.34Å; R27-A29 PolarHBondContact O-N 3.01Å
30	T	46.4	Very low	62.2	Low	114 Å²	114	83.9 Å²	83.9	70%	0.699	47%	0.473	S	S	*	.	S	Bend	trans	-134.5	-2.9	-174.8	58.3	0	0	0	0	119
31	A	52.1	Low	65.2	Low	35 Å²	35	81.2 Å²	81.2	29%	0.289	46%	0.461	S	S	.	.			trans	-110.6	90.1	173.9	0	0	0	0	0	110.6	T33 V39	A31-T33 PolarHBondContact O-N 3.22Å; A31-V39 HydrophobicContact CB-CG2 3.96Å
32	S	63.9	Low	68.3	Low	135 Å²	135	77.6 Å²	77.6	94%	0.944	45%	0.454	S	S	*	.			trans	-70.2	-5.9	166.4	56.9	0	0	0	0	112.8
33	T	87.2	Confident	71.5	Confident	41 Å²	41	72.6 Å²	72.6	25%	0.252	43%	0.428	S	S	.	.			trans	-98.2	141.5	-179.3	-176	0	0	0	0	111.8	A31 N35 D38 V39 Q136	A31-T33 PolarHBondContact O-N 3.22Å; T33-N35 PolarHBondContact OG1-N 2.98Å; T33-N35 VanDerWaalsContact OG1-N 3.13Å; T33-D38 HydrophobicContact CG2-CB 4.24Å; T33-V39 HydrophobicContact CG2-CG2 3.68Å; T33-Q136 PolarHBondContact O-NE2 2.62Å
34	T	95.1	Very high	74.6	Confident	56 Å²	56	64.5 Å²	64.5	34%	0.344	39%	0.393	S	S	.	.			trans	-87.5	-11.2	169.7	49.5	0	0	0	0	112.8	L36 W124 E135 Q136 W139	T34-L36 PolarHBondContact O-N 3.05Å; T34-W124 WeakPolarHBondContact O-CH2 3.13Å; T34-W124 WeakPolarHBondContact O-CZ3 2.95Å; T34-E135 HydrophobicContact CG2-CB 4.03Å; T34-Q136 HydrophobicContact CG2-CG 4.26Å; T34-W139 VanDerWaalsContact O-CE3 3.26Å
35	N	97.6	Very high	77.3	Confident	48 Å²	48	64 Å²	64	26%	0.257	39%	0.391	S	S	.	.			trans	-78.1	109.8	-178.4	-176.4	-8.9	0	0	0	111.4	T33 K37 D38 V39 W139	T33-N35 PolarHBondContact OG1-N 2.98Å; T33-N35 VanDerWaalsContact OG1-N 3.13Å; N35-K37 VanDerWaalsContact C-N 3.26Å; N35-K37 PolarHBondContact O-N 2.89Å; N35-K37 WeakPolarHBondContact OD1-CB 3.38Å; N35-K37 PolarHBondContact OD1-N 2.89Å; N35-D38 HydrophobicContact CB-CB 4.28Å; N35-D38 VanDerWaalsContact CB-OD2 3.29Å; N35-D38 WeakPolarHBondContact CB-OD2 3.28Å; N35-D38 VanDerWaalsContact CG-OD2 3.28Å; N35-D38 VanDerWaalsContact ND2-CG 3.33Å; N35-D38 PolarHBondContact ND2-OD2 2.9Å; N35-D38 PolarHBondContact O-N 3Å; N35-V39 PolarHBondContact O-N 3.11Å; N35-W139 HydrophobicContact CB-CZ2 4.21Å
36	L	98.3	Very high	80.4	Confident	0 Å²	0	67 Å²	67	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-58.9	-33.7	-178.6	179.5	58.3	0	0	0	113.3	T34 V39 L40 F123 W124 V127 T128 W139 Y202 M206	T34-L36 PolarHBondContact O-N 3.05Å; L36-V39 PolarHBondContact O-N 2.92Å; L36-L40 PolarHBondContact O-N 2.83Å; L36-F123 HydrophobicContact CD2-CD1 4.13Å; L36-F123 HydrophobicContact CD2-CE1 3.84Å; L36-W124 HydrophobicContact CB-CE3 4.13Å; L36-W124 HydrophobicContact CB-CH2 4.26Å; L36-W124 HydrophobicContact CB-CZ3 3.75Å; L36-W124 HydrophobicContact CD1-CD2 3.85Å; L36-W124 HydrophobicContact CD1-CE3 3.8Å; L36-W124 HydrophobicContact CD1-CG 4.38Å; L36-W124 HydrophobicContact CD1-CH2 4.33Å; L36-W124 HydrophobicContact CD1-CZ2 4.39Å; L36-W124 HydrophobicContact CD1-CZ3 4.06Å; L36-W124 HydrophobicContact CD2-CE3 4.48Å; L36-W124 HydrophobicContact CG-CE3 4.36Å; L36-W124 HydrophobicContact CG-CZ3 4.42Å; L36-V127 HydrophobicContact CD1-CB 4.39Å; L36-V127 HydrophobicContact CD1-CG1 3.92Å; L36-V127 HydrophobicContact CD2-CG1 4.39Å; L36-V127 HydrophobicContact CG-CG1 4.3Å; L36-T128 HydrophobicContact CD1-CG2 3.42Å; L36-T128 VanDerWaalsContact CD1-CG2 3.42Å; L36-W139 HydrophobicContact CB-CE3 4.43Å; L36-W139 HydrophobicContact CB-CH2 3.99Å; L36-W139 HydrophobicContact CB-CZ3 3.51Å; L36-Y202 HydrophobicContact CB-CE2 4.47Å; L36-Y202 HydrophobicContact CD2-CE2 4Å; L36-Y202 HydrophobicContact CG-CE2 4.01Å; L36-M206 HydrophobicContact CD2-SD 4.43Å
37	K	98.3	Very high	83.4	Confident	44 Å²	44	65 Å²	65	19%	0.191	37%	0.368	C	S	.	.	H	α-helix	trans	-68.1	-37.5	-179.4	-163.2	177.1	-168.8	168	0	111.9	N35 L40 A41 W198 E199 Y202 E203	N35-K37 VanDerWaalsContact C-N 3.26Å; N35-K37 PolarHBondContact O-N 2.89Å; N35-K37 WeakPolarHBondContact OD1-CB 3.38Å; N35-K37 PolarHBondContact OD1-N 2.89Å; K37-L40 WeakPolarHBondContact O-CB 3.28Å; K37-L40 PolarHBondContact O-N 3.32Å; K37-A41 PolarHBondContact O-N 2.94Å; K37-W198 HydrophobicContact CG-CH2 4.16Å; K37-W198 HydrophobicContact CG-CZ3 4.06Å; K37-E199 PolarHBondContact NZ-O 3.09Å; K37-E199 VanDerWaalsContact NZ-O 3.16Å; K37-Y202 HydrophobicContact CB-CD1 4.25Å; K37-Y202 HydrophobicContact CB-CE1 3.72Å; K37-Y202 HydrophobicContact CD-CD1 3.79Å; K37-Y202 HydrophobicContact CD-CE1 3.86Å; K37-Y202 HydrophobicContact CG-CD1 3.89Å; K37-Y202 HydrophobicContact CG-CE1 3.88Å; K37-Y202 HydrophobicContact CG-CG 4.44Å; K37-E203 WeakPolarHBondContact CD-OE1 3.44Å; K37-E203 IonicContact NZ-OE1 3.88Å; K37-E203 PolarHBondContact NZ-OE1 2.95Å
38	D	98	Very high	86	Confident	76 Å²	76	59.6 Å²	59.6	41%	0.406	35%	0.351	S	S	.	.	H	α-helix	trans	-68.9	-43.2	177.8	-62.3	-23.8	0	0	0	110.4	T33 N35 L40 A41 D42	T33-D38 HydrophobicContact CG2-CB 4.24Å; N35-D38 HydrophobicContact CB-CB 4.28Å; N35-D38 VanDerWaalsContact CB-OD2 3.29Å; N35-D38 WeakPolarHBondContact CB-OD2 3.28Å; N35-D38 VanDerWaalsContact CG-OD2 3.28Å; N35-D38 VanDerWaalsContact ND2-CG 3.33Å; N35-D38 PolarHBondContact ND2-OD2 2.9Å; N35-D38 PolarHBondContact O-N 3Å; D38-L40 VanDerWaalsContact C-N 3.29Å; D38-L40 PolarHBondContact O-N 3.12Å; D38-A41 WeakPolarHBondContact O-CB 3.45Å; D38-A41 PolarHBondContact O-N 3.46Å; D38-A41 VanDerWaalsContact O-N 3.15Å; D38-D42 PolarHBondContact O-N 3.34Å
39	V	98	Very high	88.5	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.03	34%	0.343	C	S	.	.	H	α-helix	trans	-58.3	-43.2	173.9	179.6	0	0	0	0	111	A31 T33 N35 L36 D42 L43 W124 T128	A31-V39 HydrophobicContact CB-CG2 3.96Å; T33-V39 HydrophobicContact CG2-CG2 3.68Å; N35-V39 PolarHBondContact O-N 3.11Å; L36-V39 PolarHBondContact O-N 2.92Å; V39-D42 PolarHBondContact O-N 3.3Å; V39-L43 HydrophobicContact CG1-CD1 4Å; V39-L43 VanDerWaalsContact O-CG 3.31Å; V39-L43 WeakPolarHBondContact O-CG 3.48Å; V39-L43 PolarHBondContact O-N 2.85Å; V39-W124 HydrophobicContact CG2-CH2 4.24Å; V39-W124 HydrophobicContact CG2-CZ2 4.02Å; V39-T128 HydrophobicContact CG1-CG2 3.9Å
40	L	97.8	Very high	91.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-44.9	174.9	-88.4	178.6	0	0	0	112.7	L36 K37 D38 D42 L43 I44 V127 W198 Y202 V440 W441	L36-L40 PolarHBondContact O-N 2.83Å; K37-L40 WeakPolarHBondContact O-CB 3.28Å; K37-L40 PolarHBondContact O-N 3.32Å; D38-L40 VanDerWaalsContact C-N 3.29Å; D38-L40 PolarHBondContact O-N 3.12Å; L40-D42 PolarHBondContact O-N 3.44Å; L40-L43 PolarHBondContact O-N 3.28Å; L40-I44 HydrophobicContact CB-CD1 4.32Å; L40-I44 WeakPolarHBondContact O-CD1 3.31Å; L40-I44 VanDerWaalsContact O-CG1 3.22Å; L40-I44 WeakPolarHBondContact O-CG1 3.23Å; L40-I44 PolarHBondContact O-N 3.42Å; L40-V127 HydrophobicContact CD1-CG1 3.44Å; L40-V127 VanDerWaalsContact CD1-CG1 3.44Å; L40-V127 HydrophobicContact CD2-CG1 3.45Å; L40-V127 VanDerWaalsContact CD2-CG1 3.45Å; L40-V127 WeakPolarHBondContact CD2-O 3.3Å; L40-V127 HydrophobicContact CG-CG1 3.52Å; L40-W198 HydrophobicContact CB-CH2 4.25Å; L40-W198 HydrophobicContact CB-CZ3 3.89Å; L40-W198 HydrophobicContact CD1-CZ3 4.17Å; L40-Y202 HydrophobicContact CD1-CD2 3.69Å; L40-Y202 HydrophobicContact CD1-CE2 4.04Å; L40-V440 HydrophobicContact CD1-CG1 4.1Å; L40-W441 HydrophobicContact CD2-CZ2 3.99Å
41	A	98.2	Very high	93.7	Very high	41 Å²	41	55.9 Å²	55.9	34%	0.339	31%	0.308	S	S	.	.	H	α-helix	trans	-57	-34	179.6	0	0	0	0	0	112.1	K37 D38 P45 W198	K37-A41 PolarHBondContact O-N 2.94Å; D38-A41 WeakPolarHBondContact O-CB 3.45Å; D38-A41 PolarHBondContact O-N 3.46Å; D38-A41 VanDerWaalsContact O-N 3.15Å; A41-P45 WeakPolarHBondContact O-CD 3.48Å; A41-W198 HydrophobicContact CB-CH2 3.98Å; A41-W198 HydrophobicContact CB-CZ2 4.15Å
42	D	97.7	Very high	95.9	Very high	103 Å²	103	60.4 Å²	60.4	55%	0.551	32%	0.321	S	S	*	.	H	α-helix	trans	-76.7	-29.5	176.4	-74.1	-17.1	0	0	0	114.1	D38 V39 L40 K46	D38-D42 PolarHBondContact O-N 3.34Å; V39-D42 PolarHBondContact O-N 3.3Å; L40-D42 PolarHBondContact O-N 3.44Å; D42-K46 WeakPolarHBondContact O-CE 3.41Å
43	L	98.3	Very high	97.6	Very high	30 Å²	30	58 Å²	58	16%	0.157	30%	0.297	C	S	.	.	H	α-helix	trans	-83.8	-37.1	-177.6	-69.1	174.1	0	0	0	112.5	V39 L40 K46 E47 T128 W441	V39-L43 HydrophobicContact CG1-CD1 4Å; V39-L43 VanDerWaalsContact O-CG 3.31Å; V39-L43 WeakPolarHBondContact O-CG 3.48Å; V39-L43 PolarHBondContact O-N 2.85Å; L40-L43 PolarHBondContact O-N 3.28Å; L43-K46 WeakPolarHBondContact O-CB 3.28Å; L43-K46 PolarHBondContact O-N 3.09Å; L43-E47 PolarHBondContact O-N 3.44Å; L43-E47 VanDerWaalsContact O-N 3.15Å; L43-T128 HydrophobicContact CD1-CG2 4.43Å; L43-T128 WeakPolarHBondContact CD1-O 3.31Å; L43-W441 HydrophobicContact CB-CH2 4.22Å
44	I	98.6	Very high	98.1	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-48.7	-172.8	-72.6	164.2	0	0	0	112.9	L40 K46 E47 Q48 W198 W441 A444	L40-I44 HydrophobicContact CB-CD1 4.32Å; L40-I44 WeakPolarHBondContact O-CD1 3.31Å; L40-I44 VanDerWaalsContact O-CG1 3.22Å; L40-I44 WeakPolarHBondContact O-CG1 3.23Å; L40-I44 PolarHBondContact O-N 3.42Å; I44-K46 VanDerWaalsContact C-N 3.29Å; I44-K46 PolarHBondContact O-N 2.93Å; I44-E47 PolarHBondContact O-N 3.33Å; I44-Q48 HydrophobicContact CG2-CG 4.17Å; I44-Q48 WeakPolarHBondContact O-CB 3.29Å; I44-Q48 WeakPolarHBondContact O-CG 3.37Å; I44-Q48 PolarHBondContact O-N 3.23Å; I44-W198 HydrophobicContact CD1-CD2 3.38Å; I44-W198 VanDerWaalsContact CD1-CE2 3.47Å; I44-W198 HydrophobicContact CD1-CE3 3.58Å; I44-W198 HydrophobicContact CD1-CG 3.94Å; I44-W198 HydrophobicContact CD1-CH2 3.93Å; I44-W198 HydrophobicContact CD1-CZ2 3.76Å; I44-W198 HydrophobicContact CD1-CZ3 3.85Å; I44-W441 HydrophobicContact CG1-CH2 4.15Å; I44-W441 HydrophobicContact CG1-CZ3 4.05Å; I44-A444 HydrophobicContact CD1-CB 3.67Å; I44-A444 HydrophobicContact CG1-CB 3.79Å; I44-A444 HydrophobicContact CG2-CB 3.99Å
45	P	98.5	Very high	98.3	Very high	64 Å²	64	65.7 Å²	65.7	42%	0.416	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-34	-179	-23.8	34.5	0	0	0	113.5	A41 T49	A41-P45 WeakPolarHBondContact O-CD 3.48Å; P45-T49 WeakPolarHBondContact O-CB 3.49Å; P45-T49 PolarHBondContact O-N 3.1Å; P45-T49 PolarHBondContact O-OG1 3.35Å
46	K	98.4	Very high	98.3	Very high	132 Å²	132	70 Å²	70	57%	0.574	34%	0.341	S	S	*	.	H	α-helix	trans	-64.6	-44.5	177	-62	170.8	-174.2	162.1	0	110	D42 L43 I44 T49 R50	D42-K46 WeakPolarHBondContact O-CE 3.41Å; L43-K46 WeakPolarHBondContact O-CB 3.28Å; L43-K46 PolarHBondContact O-N 3.09Å; I44-K46 VanDerWaalsContact C-N 3.29Å; I44-K46 PolarHBondContact O-N 2.93Å; K46-T49 PolarHBondContact O-N 2.94Å; K46-R50 PolarHBondContact O-N 2.89Å
47	E	98.6	Very high	98.3	Very high	39 Å²	39	76.4 Å²	76.4	18%	0.182	37%	0.371	C	S	.	.	H	α-helix	trans	-72.6	-40.5	-178.8	-166.5	56.8	-156.5	0	0	112.6	L43 I44 T49 R50 I51 W441 L445	L43-E47 PolarHBondContact O-N 3.44Å; L43-E47 VanDerWaalsContact O-N 3.15Å; I44-E47 PolarHBondContact O-N 3.33Å; E47-T49 VanDerWaalsContact C-N 3.26Å; E47-T49 PolarHBondContact O-N 3.13Å; E47-R50 VanDerWaalsContact CD-NE 3.27Å; E47-R50 WeakPolarHBondContact O-CB 3.33Å; E47-R50 PolarHBondContact O-N 3.13Å; E47-R50 IonicContact OE1-CZ 3.09Å; E47-R50 IonicContact OE1-NE 2.97Å; E47-R50 PolarHBondContact OE1-NE 3.39Å; E47-R50 IonicContact OE1-NH2 2.62Å; E47-R50 PolarHBondContact OE1-NH2 2.93Å; E47-R50 IonicContact OE2-CZ 3.98Å; E47-R50 IonicContact OE2-NE 2.8Å; E47-R50 PolarHBondContact OE2-NE 3.35Å; E47-I51 HydrophobicContact CG-CD1 4.33Å; E47-I51 WeakPolarHBondContact O-CG1 3.39Å; E47-I51 PolarHBondContact O-N 3.46Å; E47-W441 HydrophobicContact CB-CH2 4.06Å; E47-W441 HydrophobicContact CB-CZ3 3.69Å; E47-W441 HydrophobicContact CG-CE3 4.4Å; E47-W441 HydrophobicContact CG-CH2 4.23Å; E47-W441 HydrophobicContact CG-CZ3 3.69Å; E47-L445 HydrophobicContact CB-CD2 4.34Å; E47-L445 HydrophobicContact CG-CD2 4.01Å
48	Q	98.6	Very high	98.3	Very high	80 Å²	80	79.4 Å²	79.4	37%	0.374	38%	0.382	S	S	.	.	H	α-helix	trans	-55.4	-43.7	170.3	-73.8	174.5	-10.2	0	0	111.4	I44 K52 A444 L445	I44-Q48 HydrophobicContact CG2-CG 4.17Å; I44-Q48 WeakPolarHBondContact O-CB 3.29Å; I44-Q48 WeakPolarHBondContact O-CG 3.37Å; I44-Q48 PolarHBondContact O-N 3.23Å; Q48-K52 VanDerWaalsContact O-CB 3.24Å; Q48-K52 WeakPolarHBondContact O-CB 3.45Å; Q48-K52 PolarHBondContact O-N 3.47Å; Q48-A444 PolarHBondContact NE2-O 2.76Å; Q48-L445 HydrophobicContact CG-CD2 4.11Å
49	T	98.6	Very high	98.3	Very high	76 Å²	76	78.4 Å²	78.4	47%	0.466	39%	0.39	S	S	.	.	H	α-helix	trans	-65.4	-45	177.2	-59.5	0	0	0	0	111.3	P45 K46 E47 I51 K52 N53	P45-T49 WeakPolarHBondContact O-CB 3.49Å; P45-T49 PolarHBondContact O-N 3.1Å; P45-T49 PolarHBondContact O-OG1 3.35Å; K46-T49 PolarHBondContact O-N 2.94Å; E47-T49 VanDerWaalsContact C-N 3.26Å; E47-T49 PolarHBondContact O-N 3.13Å; T49-I51 PolarHBondContact O-N 3.41Å; T49-K52 PolarHBondContact O-N 2.96Å; T49-N53 WeakPolarHBondContact O-CB 3.46Å; T49-N53 PolarHBondContact O-N 2.93Å; T49-N53 PolarHBondContact O-OD1 2.73Å
50	R	98.5	Very high	98.3	Very high	131 Å²	131	88.3 Å²	88.3	49%	0.494	43%	0.433	S	S	.	.	H	α-helix	trans	-56.6	-50.1	177	-169.9	-175.5	78.3	87	-2	111.6	K46 E47 N53 F54	K46-R50 PolarHBondContact O-N 2.89Å; E47-R50 VanDerWaalsContact CD-NE 3.27Å; E47-R50 WeakPolarHBondContact O-CB 3.33Å; E47-R50 PolarHBondContact O-N 3.13Å; E47-R50 IonicContact OE1-CZ 3.09Å; E47-R50 IonicContact OE1-NE 2.97Å; E47-R50 PolarHBondContact OE1-NE 3.39Å; E47-R50 IonicContact OE1-NH2 2.62Å; E47-R50 PolarHBondContact OE1-NH2 2.93Å; E47-R50 IonicContact OE2-CZ 3.98Å; E47-R50 IonicContact OE2-NE 2.8Å; E47-R50 PolarHBondContact OE2-NE 3.35Å; R50-N53 PolarHBondContact O-N 2.97Å; R50-F54 WeakPolarHBondContact O-CB 3.24Å; R50-F54 PolarHBondContact O-N 3.09Å
51	I	98.4	Very high	98.3	Very high	34 Å²	34	92.1 Å²	92.1	17%	0.174	46%	0.456	C	S	.	.	H	α-helix	trans	-67.9	-40.4	-179.3	-66.3	177.5	0	0	0	111.1	E47 T49 N53 F54 K55 L445	E47-I51 HydrophobicContact CG-CD1 4.33Å; E47-I51 WeakPolarHBondContact O-CG1 3.39Å; E47-I51 PolarHBondContact O-N 3.46Å; T49-I51 PolarHBondContact O-N 3.41Å; I51-N53 PolarHBondContact O-N 3.34Å; I51-F54 PolarHBondContact O-N 3.35Å; I51-K55 HydrophobicContact CG2-CD 3.95Å; I51-K55 HydrophobicContact CG2-CG 4.31Å; I51-K55 WeakPolarHBondContact O-CB 3.41Å; I51-K55 WeakPolarHBondContact O-CG 3.31Å; I51-K55 PolarHBondContact O-N 3.12Å; I51-L445 HydrophobicContact CD1-CD1 3.6Å; I51-L445 HydrophobicContact CD1-CD2 3.86Å; I51-L445 HydrophobicContact CD1-CG 4.24Å
52	K	98.3	Very high	98.3	Very high	129 Å²	129	95.2 Å²	95.2	56%	0.561	47%	0.467	S	S	*	.	H	α-helix	trans	-57	-49.4	175	-179.9	-178.7	175.3	-175.7	0	111	Q48 T49 K55 Q56	Q48-K52 VanDerWaalsContact O-CB 3.24Å; Q48-K52 WeakPolarHBondContact O-CB 3.45Å; Q48-K52 PolarHBondContact O-N 3.47Å; T49-K52 PolarHBondContact O-N 2.96Å; K52-K55 PolarHBondContact O-N 3.32Å; K52-Q56 VanDerWaalsContact O-CG 3.31Å; K52-Q56 WeakPolarHBondContact O-CG 3.26Å; K52-Q56 PolarHBondContact O-N 2.83Å
53	N	98.6	Very high	98.3	Very high	84 Å²	84	95.5 Å²	95.5	45%	0.449	47%	0.467	S	S	.	.	H	α-helix	trans	-63.8	-44.2	179.6	-66.8	-9.1	0	0	0	111.4	T49 R50 I51 K55 Q56 Q57	T49-N53 WeakPolarHBondContact O-CB 3.46Å; T49-N53 PolarHBondContact O-N 2.93Å; T49-N53 PolarHBondContact O-OD1 2.73Å; R50-N53 PolarHBondContact O-N 2.97Å; I51-N53 PolarHBondContact O-N 3.34Å; N53-K55 PolarHBondContact O-N 2.93Å; N53-Q56 PolarHBondContact O-N 3.04Å; N53-Q57 PolarHBondContact O-N 2.77Å; N53-Q57 VanDerWaalsContact O-N 3.12Å
54	F	98.5	Very high	98.2	Very high	122 Å²	122	96.3 Å²	96.3	54%	0.535	48%	0.483	S	S	.	.	H	α-helix	trans	-58.9	-45.6	176	177.4	-108	0	0	0	112.1	R50 I51 Q57 Y58	R50-F54 WeakPolarHBondContact O-CB 3.24Å; R50-F54 PolarHBondContact O-N 3.09Å; I51-F54 PolarHBondContact O-N 3.35Å; F54-Q57 PolarHBondContact O-N 2.94Å; F54-Y58 AromaticContact CD2-CD2 3.63Å; F54-Y58 HydrophobicContact CD2-CD2 3.63Å; F54-Y58 HydrophobicContact CD2-CE2 4.39Å; F54-Y58 HydrophobicContact CD2-CG 4.43Å; F54-Y58 AromaticContact CE2-CD2 3.66Å; F54-Y58 HydrophobicContact CE2-CD2 3.66Å; F54-Y58 HydrophobicContact CE2-CE2 4.48Å; F54-Y58 HydrophobicContact CE2-CG 4.11Å; F54-Y58 PolarHBondContact O-N 3.08Å
55	K	97.9	Very high	98.2	Very high	138 Å²	138	102.6 Å²	102.6	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-68.3	-33.7	178.1	-72.7	-179.8	66.8	175.7	0	113.1	I51 K52 N53 Q57 G59	I51-K55 HydrophobicContact CG2-CD 3.95Å; I51-K55 HydrophobicContact CG2-CG 4.31Å; I51-K55 WeakPolarHBondContact O-CB 3.41Å; I51-K55 WeakPolarHBondContact O-CG 3.31Å; I51-K55 PolarHBondContact O-N 3.12Å; K52-K55 PolarHBondContact O-N 3.32Å; N53-K55 PolarHBondContact O-N 2.93Å; K55-Q57 VanDerWaalsContact C-N 3.31Å; K55-G59 VanDerWaalsContact O-CA 3.23Å; K55-G59 WeakPolarHBondContact O-CA 3.36Å; K55-G59 PolarHBondContact O-N 3.19Å
56	Q	98.1	Very high	98.1	Very high	137 Å²	137	105.1 Å²	105.1	64%	0.64	52%	0.521	S	S	*	.	H	α-helix	trans	-62.9	-40.4	174.2	-77.6	175.5	-16	0	0	111.5	K52 N53	K52-Q56 VanDerWaalsContact O-CG 3.31Å; K52-Q56 WeakPolarHBondContact O-CG 3.26Å; K52-Q56 PolarHBondContact O-N 2.83Å; N53-Q56 PolarHBondContact O-N 3.04Å
57	Q	98.3	Very high	98.1	Very high	136 Å²	136	101.9 Å²	101.9	64%	0.636	51%	0.512	S	S	*	.	H	α-helix	trans	-83.2	-40.3	-178.3	-170.5	173.9	6	0	0	113.3	N53 F54 K55	N53-Q57 PolarHBondContact O-N 2.77Å; N53-Q57 VanDerWaalsContact O-N 3.12Å; F54-Q57 PolarHBondContact O-N 2.94Å; K55-Q57 VanDerWaalsContact C-N 3.31Å
58	Y	98.4	Very high	98.1	Very high	106 Å²	106	102.9 Å²	102.9	42%	0.416	52%	0.521	S	S	.	.	H	α-helix	trans	-125.2	9.3	-167.1	-60	-71.4	0	0	0	114.4	F54 K60 T61	F54-Y58 AromaticContact CD2-CD2 3.63Å; F54-Y58 HydrophobicContact CD2-CD2 3.63Å; F54-Y58 HydrophobicContact CD2-CE2 4.39Å; F54-Y58 HydrophobicContact CD2-CG 4.43Å; F54-Y58 AromaticContact CE2-CD2 3.66Å; F54-Y58 HydrophobicContact CE2-CD2 3.66Å; F54-Y58 HydrophobicContact CE2-CE2 4.48Å; F54-Y58 HydrophobicContact CE2-CG 4.11Å; F54-Y58 PolarHBondContact O-N 3.08Å; Y58-K60 PolarHBondContact O-N 2.84Å; Y58-T61 WeakPolarHBondContact CA-OG1 3.31Å; Y58-T61 VanDerWaalsContact O-CB 3.28Å; Y58-T61 WeakPolarHBondContact O-CB 3.44Å; Y58-T61 PolarHBondContact O-N 3.36Å; Y58-T61 PolarHBondContact O-OG1 2.62Å; Y58-T61 VanDerWaalsContact O-OG1 3.11Å
59	G	97.4	Very high	98	Very high	56 Å²	56	105.3 Å²	105.3	58%	0.577	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-14.4	-175.3	0	0	0	0	0	115.6	K55	K55-G59 VanDerWaalsContact O-CA 3.23Å; K55-G59 WeakPolarHBondContact O-CA 3.36Å; K55-G59 PolarHBondContact O-N 3.19Å
60	K	98.1	Very high	98	Very high	213 Å²	213	103.9 Å²	103.9	93%	0.926	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	2.5	175.5	-63.9	-177.2	178.7	179.7	0	113.5	Y58	Y58-K60 PolarHBondContact O-N 2.84Å
61	T	98.6	Very high	98	Very high	79 Å²	79	100.9 Å²	100.9	49%	0.485	52%	0.521	S	S	.	.			trans	-68.4	131.8	-179	-58.2	0	0	0	0	110.4	Y58	Y58-T61 WeakPolarHBondContact CA-OG1 3.31Å; Y58-T61 VanDerWaalsContact O-CB 3.28Å; Y58-T61 WeakPolarHBondContact O-CB 3.44Å; Y58-T61 PolarHBondContact O-N 3.36Å; Y58-T61 PolarHBondContact O-OG1 2.62Å; Y58-T61 VanDerWaalsContact O-OG1 3.11Å
62	N	97.9	Very high	98	Very high	106 Å²	106	105.7 Å²	105.7	57%	0.567	54%	0.538	S	S	*	.			trans	-72.2	128.2	174.9	-175.5	-19.5	0	0	0	110.5	G64 Q65	N62-G64 PolarHBondContact OD1-N 2.8Å; N62-G64 PolarHBondContact OD1-O 3.19Å; N62-Q65 PolarHBondContact ND2-NE2 3.01Å
63	I	97.8	Very high	97.9	Very high	109 Å²	109	101.2 Å²	101.2	56%	0.559	53%	0.529	S	S	*	.			trans	-115.6	1.9	-179.6	63.5	170	0	0	0	114	K79	I63-K79 HydrophobicContact CD1-CB 3.98Å; I63-K79 HydrophobicContact CD1-CD 4.48Å; I63-K79 PolarHBondContact O-NZ 3.34Å
64	G	97.2	Very high	97.8	Very high	48 Å²	48	100.3 Å²	100.3	50%	0.495	54%	0.539	S	S	.	.			trans	162.9	163.3	-176.8	0	0	0	0	0	112.5	N62	N62-G64 PolarHBondContact OD1-N 2.8Å; N62-G64 PolarHBondContact OD1-O 3.19Å
65	Q	97.1	Very high	97.8	Very high	136 Å²	136	98.5 Å²	98.5	64%	0.636	53%	0.534	S	S	*	.			trans	-101	155.4	173.3	-62.3	-64.6	-22.2	0	0	110	N62	N62-Q65 PolarHBondContact ND2-NE2 3.01Å
66	I	98.1	Very high	97.7	Very high	117 Å²	117	101.4 Å²	101.4	60%	0.6	54%	0.541	S	S	*	.			trans	-107.6	122.4	171.4	-54.1	-179.6	0	0	0	107.3	V71 M78	I66-V71 HydrophobicContact CG2-CG2 3.97Å; I66-M78 HydrophobicContact CD1-CE 3.88Å; I66-M78 HydrophobicContact CG1-CE 3.95Å; I66-M78 HydrophobicContact CG2-CE 4.1Å; I66-M78 HydrophobicContact CG2-SD 4.21Å
67	T	97.8	Very high	97.4	Very high	63 Å²	63	98.2 Å²	98.2	39%	0.387	54%	0.544	S	S	.	.			trans	-111.9	163	177.8	71.3	0	0	0	0	111.1	D69 M70 V71	T67-D69 VanDerWaalsContact C-N 3.27Å; T67-D69 PolarHBondContact O-N 3.15Å; T67-M70 HydrophobicContact CG2-CE 4.46Å; T67-M70 HydrophobicContact CG2-SD 4.48Å; T67-M70 WeakPolarHBondContact O-CB 3.26Å; T67-M70 PolarHBondContact O-N 2.83Å; T67-M70 VanDerWaalsContact O-N 3.1Å; T67-M70 WeakPolarHBondContact OG1-CG 3.37Å; T67-M70 PolarHBondContact OG1-N 3.04Å; T67-V71 PolarHBondContact O-N 3.35Å
68	V	97.5	Very high	97.4	Very high	61 Å²	61	94.3 Å²	94.3	37%	0.37	53%	0.527	S	S	.	.	H	α-helix	trans	-54.6	-44.4	175.3	174.9	0	0	0	0	111.1	M70 V71 Y72 V464	V68-M70 VanDerWaalsContact C-N 3.29Å; V68-M70 PolarHBondContact O-N 2.88Å; V68-V71 PolarHBondContact O-N 3.19Å; V68-V71 VanDerWaalsContact O-N 3.12Å; V68-Y72 HydrophobicContact CG1-CD2 3.71Å; V68-Y72 HydrophobicContact CG1-CE2 3.69Å; V68-Y72 WeakPolarHBondContact O-CD2 3.32Å; V68-Y72 PolarHBondContact O-N 3.49Å; V68-Y72 VanDerWaalsContact O-N 3.09Å; V68-V464 HydrophobicContact CG2-CG1 4.36Å
69	D	97.9	Very high	97.4	Very high	131 Å²	131	96.6 Å²	96.6	70%	0.701	54%	0.539	S	S	*	.	H	α-helix	trans	-61.4	-34.4	177.9	-69.4	-25.7	0	0	0	113.2	T67 G73	T67-D69 VanDerWaalsContact C-N 3.27Å; T67-D69 PolarHBondContact O-N 3.15Å; D69-G73 VanDerWaalsContact O-CA 3.26Å; D69-G73 WeakPolarHBondContact O-CA 3.48Å; D69-G73 PolarHBondContact O-N 3.32Å
70	M	97.9	Very high	97.4	Very high	46 Å²	46	96.7 Å²	96.7	23%	0.227	54%	0.54	C	S	.	.	H	α-helix	trans	-69.5	-36.3	176.8	-66.5	175.5	179.2	0	0	111.6	T67 V68 M75 R76 M78	T67-M70 HydrophobicContact CG2-CE 4.46Å; T67-M70 HydrophobicContact CG2-SD 4.48Å; T67-M70 WeakPolarHBondContact O-CB 3.26Å; T67-M70 PolarHBondContact O-N 2.83Å; T67-M70 VanDerWaalsContact O-N 3.1Å; T67-M70 WeakPolarHBondContact OG1-CG 3.37Å; T67-M70 PolarHBondContact OG1-N 3.04Å; V68-M70 VanDerWaalsContact C-N 3.29Å; V68-M70 PolarHBondContact O-N 2.88Å; M70-M75 VanDerWaalsContact O-CA 3.31Å; M70-M75 WeakPolarHBondContact O-CA 3.44Å; M70-M75 PolarHBondContact O-N 3.23Å; M70-R76 WeakPolarHBondContact CG-O 3.5Å; M70-M78 HydrophobicContact CB-CG 3.83Å; M70-M78 HydrophobicContact CB-SD 3.72Å; M70-M78 HydrophobicContact CG-CG 4.12Å; M70-M78 HydrophobicContact SD-CG 3.63Å
71	V	97.9	Very high	97.5	Very high	67 Å²	67	89.5 Å²	89.5	41%	0.406	51%	0.511	S	S	.	.	H	α-helix	trans	-67.6	-48.2	178	179.7	0	0	0	0	110.7	I66 T67 V68 L460	I66-V71 HydrophobicContact CG2-CG2 3.97Å; T67-V71 PolarHBondContact O-N 3.35Å; V68-V71 PolarHBondContact O-N 3.19Å; V68-V71 VanDerWaalsContact O-N 3.12Å; V71-L460 HydrophobicContact CG1-CD1 4.34Å
72	Y	98.2	Very high	97.5	Very high	135 Å²	135	89.4 Å²	89.4	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-69.6	-34.9	174.9	-77.8	-74.5	0	0	0	112.9	V68 G74 T457 L460	V68-Y72 HydrophobicContact CG1-CD2 3.71Å; V68-Y72 HydrophobicContact CG1-CE2 3.69Å; V68-Y72 WeakPolarHBondContact O-CD2 3.32Å; V68-Y72 PolarHBondContact O-N 3.49Å; V68-Y72 VanDerWaalsContact O-N 3.09Å; Y72-G74 PolarHBondContact O-N 3.17Å; Y72-T457 WeakPolarHBondContact OH-CA 3.12Å; Y72-T457 VanDerWaalsContact OH-CB 3.26Å; Y72-T457 WeakPolarHBondContact OH-CB 3.4Å; Y72-T457 VanDerWaalsContact OH-CG2 3.31Å; Y72-T457 WeakPolarHBondContact OH-CG2 3.49Å; Y72-T457 PolarHBondContact OH-OG1 2.73Å; Y72-L460 HydrophobicContact CD2-CD1 4.49Å; Y72-L460 HydrophobicContact CE2-CD1 3.75Å
73	G	97.1	Very high	97.5	Very high	35 Å²	35	85.4 Å²	85.4	36%	0.361	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	17.7	-175.1	0	0	0	0	0	115	D69 R76	D69-G73 VanDerWaalsContact O-CA 3.26Å; D69-G73 WeakPolarHBondContact O-CA 3.48Å; D69-G73 PolarHBondContact O-N 3.32Å; G73-R76 WeakPolarHBondContact O-CB 3.47Å; G73-R76 PolarHBondContact O-N 3.48Å
74	G	97.1	Very high	97.6	Very high	65 Å²	65	82.4 Å²	82.4	67%	0.67	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	45.7	176.6	0	0	0	0	0	113.3	Y72 R76	Y72-G74 PolarHBondContact O-N 3.17Å; G74-R76 PolarHBondContact O-N 3.21Å
75	M	97.9	Very high	97.6	Very high	85 Å²	85	80.1 Å²	80.1	42%	0.419	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	20.9	179.8	-52.1	-173.5	-172.1	0	0	114.9	M70 G77 M78 P452	M70-M75 VanDerWaalsContact O-CA 3.31Å; M70-M75 WeakPolarHBondContact O-CA 3.44Å; M70-M75 PolarHBondContact O-N 3.23Å; M75-G77 PolarHBondContact O-N 3.48Å; M75-G77 VanDerWaalsContact O-N 3.08Å; M75-M78 HydrophobicContact CB-CB 4.2Å; M75-M78 HydrophobicContact CB-CG 4.41Å; M75-M78 HydrophobicContact CB-SD 3.91Å; M75-M78 HydrophobicContact CG-SD 4.06Å; M75-M78 WeakPolarHBondContact O-CB 3.4Å; M75-M78 PolarHBondContact O-N 2.82Å; M75-P452 HydrophobicContact CE-CB 4.21Å; M75-P452 HydrophobicContact CE-CG 4.33Å
76	R	94.7	Very high	97.7	Very high	199 Å²	199	73.8 Å²	73.8	75%	0.751	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	117.3	179	-177.1	-176.5	-62	-96.2	-1.2	111.3	M70 G73 G74 M78	M70-R76 WeakPolarHBondContact CG-O 3.5Å; G73-R76 WeakPolarHBondContact O-CB 3.47Å; G73-R76 PolarHBondContact O-N 3.48Å; G74-R76 PolarHBondContact O-N 3.21Å; R76-M78 VanDerWaalsContact C-N 3.31Å
77	G	93.6	Very high	97.7	Very high	69 Å²	69	72.4 Å²	72.4	71%	0.711	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-0.3	179.1	0	0	0	0	0	115.2	M75	M75-G77 PolarHBondContact O-N 3.48Å; M75-G77 VanDerWaalsContact O-N 3.08Å
78	M	97.7	Very high	97.7	Very high	55 Å²	55	70.3 Å²	70.3	27%	0.271	40%	0.401	S	S	.	.			trans	-81.5	131.1	174.8	-66	177.2	56.3	0	0	111.1	I66 M70 M75 R76 G80	I66-M78 HydrophobicContact CD1-CE 3.88Å; I66-M78 HydrophobicContact CG1-CE 3.95Å; I66-M78 HydrophobicContact CG2-CE 4.1Å; I66-M78 HydrophobicContact CG2-SD 4.21Å; M70-M78 HydrophobicContact CB-CG 3.83Å; M70-M78 HydrophobicContact CB-SD 3.72Å; M70-M78 HydrophobicContact CG-CG 4.12Å; M70-M78 HydrophobicContact SD-CG 3.63Å; M75-M78 HydrophobicContact CB-CB 4.2Å; M75-M78 HydrophobicContact CB-CG 4.41Å; M75-M78 HydrophobicContact CB-SD 3.91Å; M75-M78 HydrophobicContact CG-SD 4.06Å; M75-M78 WeakPolarHBondContact O-CB 3.4Å; M75-M78 PolarHBondContact O-N 2.82Å; R76-M78 VanDerWaalsContact C-N 3.31Å; M78-G80 PolarHBondContact O-N 3.43Å
79	K	98.2	Very high	97.6	Very high	154 Å²	154	69.3 Å²	69.3	67%	0.67	39%	0.394	S	S	*	.			trans	-81.9	90.9	168.1	-59.9	-173.6	-169.7	74.9	0	108.7	I63	I63-K79 HydrophobicContact CD1-CB 3.98Å; I63-K79 HydrophobicContact CD1-CD 4.48Å; I63-K79 PolarHBondContact O-NZ 3.34Å
80	G	97.9	Very high	97.3	Very high	58 Å²	58	65.6 Å²	65.6	60%	0.598	38%	0.377	S	S	*	.			trans	-104.3	-19.3	-168.1	0	0	0	0	0	116.9	M78	M78-G80 PolarHBondContact O-N 3.43Å
81	L	98.6	Very high	97.1	Very high	62 Å²	62	67.1 Å²	67.1	33%	0.325	39%	0.386	S	S	.	.			trans	-143.3	162.4	-175.5	68.6	151.7	0	0	0	112.5	Y83	L81-Y83 HydrophobicContact CD1-CD2 4.47Å
82	V	98.8	Very high	96.9	Very high	76 Å²	76	67.8 Å²	67.8	46%	0.461	38%	0.384	S	S	.	.			trans	-105.4	127.1	171.2	177.4	0	0	0	0	108.6	E84 F447	V82-E84 HydrophobicContact CG1-CG 4.19Å; V82-E84 WeakPolarHBondContact CG1-OE1 3.34Å; V82-F447 HydrophobicContact CB-CE2 4.15Å; V82-F447 HydrophobicContact CB-CZ 4.04Å; V82-F447 HydrophobicContact CG1-CE2 4.24Å; V82-F447 HydrophobicContact CG1-CZ 3.82Å
83	Y	98.8	Very high	96.8	Very high	23 Å²	23	61.3 Å²	61.3	9%	0.09	36%	0.359	C	S	.	.			trans	-143.7	121.7	-179.4	-162.6	-85	0	0	0	107.7	L81 T85 D267 G270 A275 Q438	L81-Y83 HydrophobicContact CD1-CD2 4.47Å; Y83-T85 WeakPolarHBondContact CE1-OG1 3.47Å; Y83-D267 WeakPolarHBondContact CE1-OD1 3.44Å; Y83-D267 WeakPolarHBondContact CE1-OD2 3.44Å; Y83-D267 PolarHBondContact OH-OD1 3.44Å; Y83-G270 VanDerWaalsContact CG-CA 3.42Å; Y83-A275 HydrophobicContact CE2-CB 4.09Å; Y83-Q438 HydrophobicContact CD2-CB 4.24Å; Y83-Q438 HydrophobicContact CD2-CG 3.53Å; Y83-Q438 HydrophobicContact CE1-CB 4.36Å; Y83-Q438 HydrophobicContact CE2-CB 3.67Å; Y83-Q438 HydrophobicContact CE2-CG 3.43Å; Y83-Q438 VanDerWaalsContact CE2-CG 3.43Å; Y83-Q438 HydrophobicContact CG-CG 4.13Å
84	E	98.7	Very high	96.8	Very high	45 Å²	45	59.7 Å²	59.7	21%	0.21	34%	0.342	C	S	.	.			trans	-106.7	-19.4	-157	-59.7	-73.8	-172.2	0	0	113.5	V82 R97	V82-E84 HydrophobicContact CG1-CG 4.19Å; V82-E84 WeakPolarHBondContact CG1-OE1 3.34Å; E84-R97 WeakPolarHBondContact O-CD 3.35Å; E84-R97 PolarHBondContact O-NH1 3.19Å
85	T	98.8	Very high	96.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-78.3	-33.8	-169.3	46.4	0	0	0	0	112.8	Y83 R97 L126 D267 A437 Q438	Y83-T85 WeakPolarHBondContact CE1-OG1 3.47Å; T85-R97 PolarHBondContact O-N 3.29Å; T85-L126 HydrophobicContact CG2-CB 4.29Å; T85-L126 WeakPolarHBondContact O-CD2 3.43Å; T85-D267 VanDerWaalsContact CB-OD2 3.26Å; T85-D267 WeakPolarHBondContact CB-OD2 3.33Å; T85-D267 PolarHBondContact OG1-OD2 3.07Å; T85-A437 HydrophobicContact CG2-CB 3.95Å; T85-Q438 HydrophobicContact CG2-CB 4.14Å
86	S	98.8	Very high	96.9	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	151.9	177.8	61.5	0	0	0	0	113.4	R95 D267 E269	S86-R95 WeakPolarHBondContact CA-O 3.34Å; S86-R95 VanDerWaalsContact CB-O 3.26Å; S86-R95 WeakPolarHBondContact CB-O 3.16Å; S86-D267 VanDerWaalsContact CB-OD2 3.26Å; S86-D267 WeakPolarHBondContact CB-OD2 3.32Å; S86-D267 PolarHBondContact N-OD2 3.35Å; S86-D267 PolarHBondContact OG-OD2 3.21Å; S86-E269 PolarHBondContact OG-N 3.38Å
87	V	98.5	Very high	97.1	Very high	88 Å²	88	48.7 Å²	48.7	53%	0.533	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	134.9	178.7	179.4	0	0	0	0	109	D89 R95	V87-D89 PolarHBondContact O-N 2.96Å; V87-R95 PolarHBondContact N-O 3.43Å; V87-R95 VanDerWaalsContact N-O 3.1Å; V87-R95 PolarHBondContact O-N 2.74Å
88	L	96.9	Very high	97.4	Very high	20 Å²	20	47.5 Å²	47.5	11%	0.105	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	115.6	175.7	-179.4	65.8	0	0	0	110.2	I94 E269 V352 L353	L88-I94 HydrophobicContact CB-CD1 4.34Å; L88-E269 HydrophobicContact CB-CG 4.25Å; L88-E269 WeakPolarHBondContact CB-OE1 3.34Å; L88-E269 PolarHBondContact N-OE1 2.76Å; L88-V352 HydrophobicContact CD2-CB 4.08Å; L88-V352 HydrophobicContact CD2-CG1 3.71Å; L88-L353 HydrophobicContact CD1-CD1 3.83Å; L88-L353 HydrophobicContact CD1-CG 4.21Å
89	D	95.7	Very high	97.4	Very high	40 Å²	40	46.9 Å²	46.9	21%	0.214	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	120.7	166.1	-172.3	-41	0	0	0	108.4	V87 D91 E92 G93 R95	V87-D89 PolarHBondContact O-N 2.96Å; D89-D91 PolarHBondContact O-N 2.95Å; D89-D91 VanDerWaalsContact O-N 3.16Å; D89-D91 PolarHBondContact OD1-N 2.82Å; D89-E92 HydrophobicContact CB-CB 4Å; D89-E92 PolarHBondContact O-N 3.39Å; D89-E92 PolarHBondContact OD1-N 2.9Å; D89-G93 VanDerWaalsContact CB-O 3.28Å; D89-G93 WeakPolarHBondContact CB-O 3.47Å; D89-G93 PolarHBondContact N-O 3.35Å; D89-G93 WeakPolarHBondContact O-CA 3.22Å; D89-G93 PolarHBondContact O-N 2.85Å; D89-R95 HydrophobicContact CB-CG 4.29Å; D89-R95 IonicContact OD2-CZ 3.21Å; D89-R95 IonicContact OD2-NE 2.71Å; D89-R95 PolarHBondContact OD2-NE 3.16Å; D89-R95 IonicContact OD2-NH2 3.63Å; D89-R95 PolarHBondContact OD2-NH2 3.33Å; D89-R95 VanDerWaalsContact OD2-NH2 3.08Å
90	P	91.6	Very high	97.4	Very high	52 Å²	52	40 Å²	40	34%	0.338	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.6	-178.2	-24.5	34.4	0	0	0	114.1	R354	P90-R354 PolarHBondContact O-N 3.41Å; P90-R354 VanDerWaalsContact O-N 3.11Å
91	D	92.9	Very high	97.5	Very high	78 Å²	78	37.4 Å²	37.4	42%	0.417	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-28.2	-176.1	-62	-45.8	0	0	0	111.8	D89 R354 K355	D89-D91 PolarHBondContact O-N 2.95Å; D89-D91 VanDerWaalsContact O-N 3.16Å; D89-D91 PolarHBondContact OD1-N 2.82Å; D91-R354 WeakPolarHBondContact OD1-CD 3.27Å; D91-R354 IonicContact OD1-CZ 3.7Å; D91-R354 IonicContact OD1-NE 3.01Å; D91-R354 IonicContact OD1-NH1 2.84Å; D91-R354 PolarHBondContact OD1-NH1 2.94Å; D91-R354 IonicContact OD2-NH1 3.66Å; D91-K355 WeakPolarHBondContact O-CD 3.05Å; D91-K355 WeakPolarHBondContact O-CE 3.5Å; D91-K355 PolarHBondContact O-NZ 3.42Å
92	E	93.7	Very high	97.4	Very high	81 Å²	81	38.1 Å²	38.1	38%	0.379	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-7	-176.5	-62.5	-59.1	134.2	0	0	115.4	D89 R95 K355	D89-E92 HydrophobicContact CB-CB 4Å; D89-E92 PolarHBondContact O-N 3.39Å; D89-E92 PolarHBondContact OD1-N 2.9Å; E92-R95 VanDerWaalsContact CG-NH2 3.34Å; E92-K355 IonicContact OE1-NZ 3.16Å; E92-K355 PolarHBondContact OE1-NZ 3.45Å; E92-K355 IonicContact OE2-NZ 2.74Å; E92-K355 PolarHBondContact OE2-NZ 2.81Å
93	G	96.4	Very high	97.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.2	-165.2	-176.9	0	0	0	0	0	113.1	D89 R95	D89-G93 VanDerWaalsContact CB-O 3.28Å; D89-G93 WeakPolarHBondContact CB-O 3.47Å; D89-G93 PolarHBondContact N-O 3.35Å; D89-G93 WeakPolarHBondContact O-CA 3.22Å; D89-G93 PolarHBondContact O-N 2.85Å; G93-R95 PolarHBondContact O-N 2.94Å
94	I	98.1	Very high	97.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	136.8	-175.4	-166.1	63.8	0	0	0	111	L88 F96 I101 H268 E269 R359	L88-I94 HydrophobicContact CB-CD1 4.34Å; I94-F96 HydrophobicContact CG1-CE1 4.12Å; I94-F96 HydrophobicContact CG2-CE1 4.44Å; I94-F96 HydrophobicContact CG2-CZ 4.35Å; I94-I101 HydrophobicContact CG2-CD1 4.08Å; I94-I101 HydrophobicContact CG2-CG1 4.23Å; I94-H268 HydrophobicContact CD1-CB 4.45Å; I94-E269 HydrophobicContact CD1-CG 4.1Å; I94-R359 HydrophobicContact CG2-CG 4.22Å
95	R	98.8	Very high	97.4	Very high	58 Å²	58	37 Å²	37	22%	0.219	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.8	174.4	-65.3	178.3	175	-78.6	-3.8	110.6	S86 V87 D89 E92 G93 G98 Y99 E103	S86-R95 WeakPolarHBondContact CA-O 3.34Å; S86-R95 VanDerWaalsContact CB-O 3.26Å; S86-R95 WeakPolarHBondContact CB-O 3.16Å; V87-R95 PolarHBondContact N-O 3.43Å; V87-R95 VanDerWaalsContact N-O 3.1Å; V87-R95 PolarHBondContact O-N 2.74Å; D89-R95 HydrophobicContact CB-CG 4.29Å; D89-R95 IonicContact OD2-CZ 3.21Å; D89-R95 IonicContact OD2-NE 2.71Å; D89-R95 PolarHBondContact OD2-NE 3.16Å; D89-R95 IonicContact OD2-NH2 3.63Å; D89-R95 PolarHBondContact OD2-NH2 3.33Å; D89-R95 VanDerWaalsContact OD2-NH2 3.08Å; E92-R95 VanDerWaalsContact CG-NH2 3.34Å; G93-R95 PolarHBondContact O-N 2.94Å; R95-G98 WeakPolarHBondContact CD-O 3.06Å; R95-G98 PolarHBondContact NH1-O 3.05Å; R95-Y99 CarbonylContact C-O 3.59Å; R95-Y99 VanDerWaalsContact CA-O 3.23Å; R95-Y99 WeakPolarHBondContact CA-O 3.34Å; R95-E103 IonicContact NH1-OE2 3.54Å
96	F	98.8	Very high	97.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	108	172.9	-59.1	-41.8	0	0	0	109	I94 G98 Y99 I101 L122 L125 L126 D267	I94-F96 HydrophobicContact CG1-CE1 4.12Å; I94-F96 HydrophobicContact CG2-CE1 4.44Å; I94-F96 HydrophobicContact CG2-CZ 4.35Å; F96-G98 PolarHBondContact O-N 2.83Å; F96-G98 VanDerWaalsContact O-N 3.09Å; F96-Y99 PolarHBondContact N-O 3.29Å; F96-Y99 WeakPolarHBondContact O-CB 3.44Å; F96-Y99 WeakPolarHBondContact O-CD2 3.32Å; F96-Y99 PolarHBondContact O-N 3.36Å; F96-I101 HydrophobicContact CD2-CD1 4.02Å; F96-I101 HydrophobicContact CE2-CD1 3.26Å; F96-I101 HydrophobicContact CZ-CD1 3.75Å; F96-L122 HydrophobicContact CB-CD2 4Å; F96-L122 HydrophobicContact CD2-CD2 3.56Å; F96-L122 HydrophobicContact CE2-CD2 4.15Å; F96-L122 HydrophobicContact CG-CD2 3.81Å; F96-L125 HydrophobicContact CB-CD2 4.13Å; F96-L126 HydrophobicContact CB-CD2 3.76Å; F96-L126 HydrophobicContact CD1-CD2 4.09Å; F96-L126 HydrophobicContact CG-CD2 4.16Å; F96-D267 HydrophobicContact CD1-CB 4.43Å; F96-D267 HydrophobicContact CE1-CB 4.1Å; F96-D267 WeakPolarHBondContact CE1-O 3.23Å
97	R	98.5	Very high	97.4	Very high	59 Å²	59	49 Å²	49	22%	0.223	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	36.7	-173.5	-65.4	-66.8	-162.2	168.4	6	114	E84 T85 L125 L126	E84-R97 WeakPolarHBondContact O-CD 3.35Å; E84-R97 PolarHBondContact O-NH1 3.19Å; T85-R97 PolarHBondContact O-N 3.29Å; R97-L125 HydrophobicContact CB-CD1 4.15Å; R97-L125 HydrophobicContact CB-CG 4.35Å; R97-L125 WeakPolarHBondContact CG-O 3.38Å; R97-L126 VanDerWaalsContact CZ-O 3.27Å; R97-L126 PolarHBondContact NE-O 3.39Å; R97-L126 PolarHBondContact NH2-O 3Å
98	G	98.3	Very high	97.4	Very high	45 Å²	45	44.9 Å²	44.9	46%	0.464	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	94	-15.5	-179.9	0	0	0	0	0	115.2	R95 F96	R95-G98 WeakPolarHBondContact CD-O 3.06Å; R95-G98 PolarHBondContact NH1-O 3.05Å; F96-G98 PolarHBondContact O-N 2.83Å; F96-G98 VanDerWaalsContact O-N 3.09Å
99	Y	98.8	Very high	97.5	Very high	41 Å²	41	44.6 Å²	44.6	16%	0.161	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.2	178.4	-60.1	-93.9	0	0	0	110.7	R95 F96 E103 L107 L125 V131	R95-Y99 CarbonylContact C-O 3.59Å; R95-Y99 VanDerWaalsContact CA-O 3.23Å; R95-Y99 WeakPolarHBondContact CA-O 3.34Å; F96-Y99 PolarHBondContact N-O 3.29Å; F96-Y99 WeakPolarHBondContact O-CB 3.44Å; F96-Y99 WeakPolarHBondContact O-CD2 3.32Å; F96-Y99 PolarHBondContact O-N 3.36Å; Y99-E103 HydrophobicContact CD1-CB 4.38Å; Y99-L107 HydrophobicContact CD1-CD1 3.91Å; Y99-L107 HydrophobicContact CE1-CD1 3.9Å; Y99-L125 HydrophobicContact CD2-CD1 3.73Å; Y99-L125 HydrophobicContact CD2-CD2 4.12Å; Y99-L125 HydrophobicContact CD2-CG 4.5Å; Y99-L125 HydrophobicContact CE2-CD1 3.74Å; Y99-L125 HydrophobicContact CG-CD2 4.46Å; Y99-V131 HydrophobicContact CE1-CG2 4.01Å; Y99-V131 HydrophobicContact CE2-CG2 4.48Å
100	S	98.7	Very high	97.6	Very high	11 Å²	11	46.1 Å²	46.1	8%	0.077	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	163.9	172.4	62.4	0	0	0	0	111.8	E103 C104	S100-E103 WeakPolarHBondContact CB-OE2 3.28Å; S100-E103 PolarHBondContact N-OE2 2.77Å; S100-E103 WeakPolarHBondContact O-CB 2.97Å; S100-E103 PolarHBondContact O-N 3.05Å; S100-E103 VanDerWaalsContact O-N 3.09Å; S100-E103 VanDerWaalsContact OG-CG 3.31Å; S100-E103 WeakPolarHBondContact OG-CG 3.37Å; S100-E103 PolarHBondContact OG-OE2 3.14Å; S100-C104 PolarHBondContact O-N 3.47Å; S100-C104 PolarHBondContact O-SG 3.24Å
101	I	98.6	Very high	98	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-53.9	-46.3	176.9	-56.2	-63.5	0	0	0	112.6	I94 F96 E103 C104 Q105 I264 P358 R359 C362	I94-I101 HydrophobicContact CG2-CD1 4.08Å; I94-I101 HydrophobicContact CG2-CG1 4.23Å; F96-I101 HydrophobicContact CD2-CD1 4.02Å; F96-I101 HydrophobicContact CE2-CD1 3.26Å; F96-I101 HydrophobicContact CZ-CD1 3.75Å; I101-E103 VanDerWaalsContact C-N 3.32Å; I101-E103 PolarHBondContact O-N 2.94Å; I101-C104 WeakPolarHBondContact O-CB 3.44Å; I101-C104 PolarHBondContact O-N 2.81Å; I101-C104 VanDerWaalsContact O-N 3.17Å; I101-Q105 HydrophobicContact CG2-CG 4.49Å; I101-Q105 PolarHBondContact O-N 2.79Å; I101-I264 HydrophobicContact CD1-CG2 4.39Å; I101-I264 HydrophobicContact CG2-CG2 4.22Å; I101-P358 HydrophobicContact CB-CB 4.09Å; I101-P358 HydrophobicContact CB-CG 4.42Å; I101-P358 HydrophobicContact CG1-CB 4.2Å; I101-P358 HydrophobicContact CG1-CG 4.01Å; I101-R359 HydrophobicContact CD1-CG 4.05Å; I101-R359 HydrophobicContact CG1-CG 3.91Å; I101-C362 HydrophobicContact CG2-CB 4.3Å
102	P	98.4	Very high	98.2	Very high	76 Å²	76	46.6 Å²	46.6	49%	0.494	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-35.5	176.8	-24	36.2	0	0	0	113.5	K106	P102-K106 WeakPolarHBondContact O-CB 3.41Å; P102-K106 PolarHBondContact O-N 3.08Å; P102-K106 VanDerWaalsContact O-N 3.08Å
103	E	98.7	Very high	98.3	Very high	80 Å²	80	47.2 Å²	47.2	37%	0.374	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-41.9	174.1	-70.6	168	126.1	0	0	111	R95 Y99 S100 I101 K106 L107	R95-E103 IonicContact NH1-OE2 3.54Å; Y99-E103 HydrophobicContact CD1-CB 4.38Å; S100-E103 WeakPolarHBondContact CB-OE2 3.28Å; S100-E103 PolarHBondContact N-OE2 2.77Å; S100-E103 WeakPolarHBondContact O-CB 2.97Å; S100-E103 PolarHBondContact O-N 3.05Å; S100-E103 VanDerWaalsContact O-N 3.09Å; S100-E103 VanDerWaalsContact OG-CG 3.31Å; S100-E103 WeakPolarHBondContact OG-CG 3.37Å; S100-E103 PolarHBondContact OG-OE2 3.14Å; I101-E103 VanDerWaalsContact C-N 3.32Å; I101-E103 PolarHBondContact O-N 2.94Å; E103-K106 PolarHBondContact O-N 3.05Å; E103-L107 VanDerWaalsContact O-CB 3.3Å; E103-L107 WeakPolarHBondContact O-CB 3.4Å; E103-L107 VanDerWaalsContact O-CG 3.3Å; E103-L107 WeakPolarHBondContact O-CG 3.36Å; E103-L107 PolarHBondContact O-N 3.33Å
104	C	98.8	Very high	98.3	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.027	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-46.6	174.5	-69.4	0	0	0	0	112	S100 I101 K106 L107 L108	S100-C104 PolarHBondContact O-N 3.47Å; S100-C104 PolarHBondContact O-SG 3.24Å; I101-C104 WeakPolarHBondContact O-CB 3.44Å; I101-C104 PolarHBondContact O-N 2.81Å; I101-C104 VanDerWaalsContact O-N 3.17Å; C104-K106 PolarHBondContact O-N 3.12Å; C104-L107 PolarHBondContact O-N 3.25Å; C104-L108 HydrophobicContact CB-CD1 3.87Å; C104-L108 HydrophobicContact CB-CG 4.3Å; C104-L108 VanDerWaalsContact O-CB 3.23Å; C104-L108 WeakPolarHBondContact O-CB 3.46Å; C104-L108 WeakPolarHBondContact O-CG 3.27Å; C104-L108 PolarHBondContact O-N 2.97Å
105	Q	98.5	Very high	98.3	Very high	37 Å²	37	50.2 Å²	50.2	17%	0.173	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-37.2	175.8	-73	177.1	-74	0	0	111.8	I101 K110 P117	I101-Q105 HydrophobicContact CG2-CG 4.49Å; I101-Q105 PolarHBondContact O-N 2.79Å; Q105-K110 WeakPolarHBondContact O-CE 3.45Å; Q105-K110 PolarHBondContact O-NZ 3.45Å; Q105-P117 HydrophobicContact CG-CG 4.37Å
106	K	98.5	Very high	98.3	Very high	171 Å²	171	48.2 Å²	48.2	74%	0.743	29%	0.293	S	S	*	.	H	α-helix	trans	-72.5	-46.3	178.5	-175.4	176.9	179.3	179.7	0	112.8	P102 E103 C104	P102-K106 WeakPolarHBondContact O-CB 3.41Å; P102-K106 PolarHBondContact O-N 3.08Å; P102-K106 VanDerWaalsContact O-N 3.08Å; E103-K106 PolarHBondContact O-N 3.05Å; C104-K106 PolarHBondContact O-N 3.12Å
107	L	98.4	Very high	98.3	Very high	83 Å²	83	48.3 Å²	48.3	44%	0.435	29%	0.293	S	S	.	.	H	α-helix	trans	-95.1	-29.6	-165.6	-64.6	173.4	0	0	0	114.2	Y99 E103 C104 V131	Y99-L107 HydrophobicContact CD1-CD1 3.91Å; Y99-L107 HydrophobicContact CE1-CD1 3.9Å; E103-L107 VanDerWaalsContact O-CB 3.3Å; E103-L107 WeakPolarHBondContact O-CB 3.4Å; E103-L107 VanDerWaalsContact O-CG 3.3Å; E103-L107 WeakPolarHBondContact O-CG 3.36Å; E103-L107 PolarHBondContact O-N 3.33Å; C104-L107 PolarHBondContact O-N 3.25Å; L107-V131 HydrophobicContact CB-CG1 4.11Å; L107-V131 HydrophobicContact CB-CG2 4.32Å; L107-V131 HydrophobicContact CD1-CG2 4.36Å; L107-V131 WeakPolarHBondContact O-CG1 3.49Å
108	L	98.8	Very high	98.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	28%	0.284	C	S	.	.	S	Bend	trans	-73	139.8	-177.9	-66.3	178.4	0	0	0	110.8	C104 K110 P117 L122 L125 V131 P132	C104-L108 HydrophobicContact CB-CD1 3.87Å; C104-L108 HydrophobicContact CB-CG 4.3Å; C104-L108 VanDerWaalsContact O-CB 3.23Å; C104-L108 WeakPolarHBondContact O-CB 3.46Å; C104-L108 WeakPolarHBondContact O-CG 3.27Å; C104-L108 PolarHBondContact O-N 2.97Å; L108-K110 PolarHBondContact O-NZ 3.31Å; L108-P117 HydrophobicContact CB-CB 3.88Å; L108-P117 HydrophobicContact CD1-CB 4.14Å; L108-L122 HydrophobicContact CD1-CB 4.04Å; L108-L125 HydrophobicContact CD2-CB 4.42Å; L108-L125 HydrophobicContact CD2-CD2 4.45Å; L108-V131 HydrophobicContact CD2-CG1 4.44Å; L108-P132 HydrophobicContact CD2-CG 4.49Å
109	P	98.8	Very high	98.3	Very high	15 Å²	15	43.6 Å²	43.6	10%	0.097	26%	0.262	C	S	.	.			trans	-56.2	150.1	172	-28	37.5	0	0	0	112.6	L118 E134 V137	P109-L118 PolarHBondContact O-N 3.44Å; P109-E134 HydrophobicContact CB-CG 4.35Å; P109-V137 HydrophobicContact CB-CB 4.24Å; P109-V137 HydrophobicContact CB-CG1 4.43Å; P109-V137 HydrophobicContact CB-CG2 3.88Å; P109-V137 HydrophobicContact CG-CB 4.39Å; P109-V137 HydrophobicContact CG-CG2 3.64Å
110	K	98.8	Very high	98.3	Very high	71 Å²	71	41.7 Å²	41.7	31%	0.309	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-120	161.7	-177	-62.4	157.5	-178.4	68	0	108.2	Q105 L108 A115 E116	Q105-K110 WeakPolarHBondContact O-CE 3.45Å; Q105-K110 PolarHBondContact O-NZ 3.45Å; L108-K110 PolarHBondContact O-NZ 3.31Å; K110-A115 VanDerWaalsContact CD-O 3.3Å; K110-A115 WeakPolarHBondContact CD-O 3.48Å; K110-A115 WeakPolarHBondContact CE-O 3.32Å; K110-E116 WeakPolarHBondContact CG-O 3.06Å
111	A	98.3	Very high	98.4	Very high	6 Å²	6	41.1 Å²	41.1	5%	0.05	25%	0.251	C	S	.	.			trans	-63	152.5	170.5	0	0	0	0	0	110.8	G113 G114 L118	A111-G113 PolarHBondContact O-N 3.44Å; A111-G113 VanDerWaalsContact O-N 3.14Å; A111-G114 WeakPolarHBondContact O-CA 3.48Å; A111-G114 PolarHBondContact O-N 3.2Å; A111-L118 HydrophobicContact CB-CD2 4.2Å
112	P	97.1	Very high	98.4	Very high	134 Å²	134	41 Å²	41	87%	0.87	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	121.3	171.1	-26.1	35.1	0	0	0	111.4	G114	P112-G114 PolarHBondContact O-N 3.11Å
113	G	95.9	Very high	98.4	Very high	95 Å²	95	37.4 Å²	37.4	98%	0.979	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	0.5	-176	0	0	0	0	0	115.5	A111	A111-G113 PolarHBondContact O-N 3.44Å; A111-G113 VanDerWaalsContact O-N 3.14Å
114	G	97.1	Very high	98.4	Very high	24 Å²	24	33.6 Å²	33.6	25%	0.247	21%	0.209	C	C	.	.			trans	-90.1	165.2	173.6	0	0	0	0	0	113.1	A111 P112	A111-G114 WeakPolarHBondContact O-CA 3.48Å; A111-G114 PolarHBondContact O-N 3.2Å; P112-G114 PolarHBondContact O-N 3.11Å
115	A	97.8	Very high	98.4	Very high	40 Å²	40	33.5 Å²	33.5	33%	0.331	21%	0.208	S	C	.	.			trans	-115.4	-25.2	177.9	0	0	0	0	0	112.6	K110 E256	K110-A115 VanDerWaalsContact CD-O 3.3Å; K110-A115 WeakPolarHBondContact CD-O 3.48Å; K110-A115 WeakPolarHBondContact CE-O 3.32Å; A115-E256 PolarHBondContact N-OE2 2.91Å
116	E	98.8	Very high	98.4	Very high	16 Å²	16	31.7 Å²	31.7	8%	0.075	20%	0.2	C	C	.	.	S	Bend	trans	-88.6	144.7	-175.7	-61.1	-53.7	151.3	0	0	113.2	K110 E256 R259 L260 F366	K110-E116 WeakPolarHBondContact CG-O 3.06Å; E116-E256 HydrophobicContact CG-CB 4.19Å; E116-E256 PolarHBondContact N-OE2 3.18Å; E116-R259 HydrophobicContact CB-CB 4.22Å; E116-L260 HydrophobicContact CB-CB 4.14Å; E116-L260 HydrophobicContact CG-CB 3.98Å; E116-L260 WeakPolarHBondContact OE2-CD1 3.14Å; E116-F366 HydrophobicContact CG-CD2 4.26Å; E116-F366 HydrophobicContact CG-CE2 4.3Å
117	P	98.8	Very high	98.4	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-65.2	139.7	-178.1	28.4	-35.9	0	0	0	111.6	Q105 L108 T263	Q105-P117 HydrophobicContact CG-CG 4.37Å; L108-P117 HydrophobicContact CB-CB 3.88Å; L108-P117 HydrophobicContact CD1-CB 4.14Å; P117-T263 HydrophobicContact CB-CG2 4.36Å; P117-T263 HydrophobicContact CG-CG2 3.89Å; P117-T263 PolarHBondContact O-OG1 2.9Å
118	L	98.9	Very high	98.5	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.031	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-76.2	131.9	176.9	-72.9	175.3	0	0	0	111.7	P109 A111 E120 G121 L122 V137 D238 R259	P109-L118 PolarHBondContact O-N 3.44Å; A111-L118 HydrophobicContact CB-CD2 4.2Å; L118-E120 PolarHBondContact O-N 2.95Å; L118-G121 PolarHBondContact O-N 2.96Å; L118-L122 PolarHBondContact O-N 2.99Å; L118-V137 HydrophobicContact CB-CG1 4.2Å; L118-V137 HydrophobicContact CD1-CG1 3.62Å; L118-D238 HydrophobicContact CD2-CB 3.86Å; L118-R259 HydrophobicContact CD2-CG 4.07Å
119	P	98.9	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-28.8	176.6	-25.5	35	0	0	0	114.1	G121 L122 F123 W239 S240 L262 L433	P119-G121 VanDerWaalsContact C-N 3.29Å; P119-G121 PolarHBondContact O-N 3.29Å; P119-L122 PolarHBondContact O-N 3.11Å; P119-F123 PolarHBondContact O-N 3.5Å; P119-W239 HydrophobicContact CB-CE3 3.99Å; P119-W239 HydrophobicContact CB-CZ3 4.12Å; P119-W239 HydrophobicContact CG-CE3 4.29Å; P119-S240 WeakPolarHBondContact CD-OG 3.31Å; P119-S240 WeakPolarHBondContact CG-OG 3.3Å; P119-L262 HydrophobicContact CB-CB 4.28Å; P119-L262 HydrophobicContact CG-CB 3.69Å; P119-L433 HydrophobicContact CB-CD1 3.76Å
120	E	98.9	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-55.2	-45.5	170.7	-70	92.5	145.5	0	0	111.7	L118 L122 F123 W124 V137 V140 S141 W144 D238 W239	L118-E120 PolarHBondContact O-N 2.95Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-F123 PolarHBondContact O-N 3.26Å; E120-W124 PolarHBondContact O-N 2.78Å; E120-V137 HydrophobicContact CB-CG1 3.96Å; E120-V140 HydrophobicContact CB-CB 4.11Å; E120-V140 HydrophobicContact CB-CG1 3.85Å; E120-V140 HydrophobicContact CG-CB 4.25Å; E120-V140 HydrophobicContact CG-CG1 3.79Å; E120-S141 VanDerWaalsContact CD-OG 3.29Å; E120-S141 WeakPolarHBondContact CG-OG 2.77Å; E120-S141 PolarHBondContact OE1-OG 3.42Å; E120-W144 HydrophobicContact CB-CZ3 4.27Å; E120-W144 HydrophobicContact CG-CE3 3.75Å; E120-W144 HydrophobicContact CG-CH2 4.23Å; E120-W144 HydrophobicContact CG-CZ3 3.54Å; E120-D238 WeakPolarHBondContact OE1-CA 3.22Å; E120-D238 WeakPolarHBondContact OE1-CB 3.34Å; E120-W239 VanDerWaalsContact OE1-CB 3.3Å; E120-W239 WeakPolarHBondContact OE1-CB 3.29Å; E120-W239 PolarHBondContact OE1-N 3.1Å
121	G	98.9	Very high	98.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.6	-36.5	179.6	0	0	0	0	0	112.2	L118 P119 L125	L118-G121 PolarHBondContact O-N 2.96Å; P119-G121 VanDerWaalsContact C-N 3.29Å; P119-G121 PolarHBondContact O-N 3.29Å; G121-L125 PolarHBondContact O-N 3.19Å
122	L	98.9	Very high	98.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-47	171.7	179.6	-80.9	0	0	0	110.8	F96 L108 L118 P119 E120 W124 L125 L126 T263 S266 L433	F96-L122 HydrophobicContact CB-CD2 4Å; F96-L122 HydrophobicContact CD2-CD2 3.56Å; F96-L122 HydrophobicContact CE2-CD2 4.15Å; F96-L122 HydrophobicContact CG-CD2 3.81Å; L108-L122 HydrophobicContact CD1-CB 4.04Å; L118-L122 PolarHBondContact O-N 2.99Å; P119-L122 PolarHBondContact O-N 3.11Å; E120-L122 VanDerWaalsContact C-N 3.34Å; L122-W124 VanDerWaalsContact C-N 3.31Å; L122-W124 PolarHBondContact O-N 3.28Å; L122-L125 HydrophobicContact CD2-CD2 4.42Å; L122-L125 CarbonylContact O-C 3.55Å; L122-L125 WeakPolarHBondContact O-CA 3.37Å; L122-L125 WeakPolarHBondContact O-CB 3.41Å; L122-L125 PolarHBondContact O-N 2.65Å; L122-L126 HydrophobicContact CD1-CD1 3.48Å; L122-L126 VanDerWaalsContact CD1-CD1 3.48Å; L122-L126 HydrophobicContact CD1-CG 3.74Å; L122-L126 HydrophobicContact CD2-CD1 4.5Å; L122-L126 HydrophobicContact CD2-CD2 4.1Å; L122-L126 HydrophobicContact CD2-CG 4Å; L122-L126 WeakPolarHBondContact O-CG 3.48Å; L122-L126 PolarHBondContact O-N 3.24Å; L122-T263 HydrophobicContact CB-CG2 4.08Å; L122-T263 HydrophobicContact CG-CG2 4.11Å; L122-S266 VanDerWaalsContact CD1-CB 3.48Å; L122-S266 VanDerWaalsContact CD1-OG 3.32Å; L122-S266 WeakPolarHBondContact CD1-OG 3.43Å; L122-L433 HydrophobicContact CD1-CB 4.39Å; L122-L433 HydrophobicContact CD1-CD1 4.35Å
123	F	98.9	Very high	98.5	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-59.8	-44	179.2	-178.8	-104.8	0	0	0	111.5	L36 P119 E120 L125 L126 V127 W144 M206 I209 L433 A437	L36-F123 HydrophobicContact CD2-CD1 4.13Å; L36-F123 HydrophobicContact CD2-CE1 3.84Å; P119-F123 PolarHBondContact O-N 3.5Å; E120-F123 PolarHBondContact O-N 3.26Å; F123-L125 VanDerWaalsContact C-N 3.31Å; F123-L125 PolarHBondContact O-N 3.19Å; F123-L126 PolarHBondContact O-N 2.97Å; F123-V127 HydrophobicContact CD1-CG2 4.13Å; F123-V127 HydrophobicContact CD2-CG2 4.14Å; F123-V127 HydrophobicContact CE1-CG2 3.76Å; F123-V127 HydrophobicContact CE2-CG2 3.77Å; F123-V127 HydrophobicContact CG-CG2 4.33Å; F123-V127 HydrophobicContact CZ-CG2 3.57Å; F123-V127 WeakPolarHBondContact O-CB 3.28Å; F123-V127 VanDerWaalsContact O-CG2 3.26Å; F123-V127 WeakPolarHBondContact O-CG2 3.24Å; F123-V127 PolarHBondContact O-N 2.9Å; F123-W144 HydrophobicContact CB-CH2 3.82Å; F123-W144 HydrophobicContact CB-CZ2 3.98Å; F123-W144 HydrophobicContact CD1-CH2 4.32Å; F123-W144 AromaticContact CD1-CZ2 3.6Å; F123-W144 HydrophobicContact CD1-CZ2 3.6Å; F123-W144 HydrophobicContact CE1-CZ2 4.19Å; F123-W144 HydrophobicContact CG-CH2 4.12Å; F123-W144 AromaticContact CG-CZ2 3.78Å; F123-W144 HydrophobicContact CG-CZ2 3.78Å; F123-M206 HydrophobicContact CD1-SD 4.49Å; F123-M206 HydrophobicContact CE1-SD 3.62Å; F123-M206 HydrophobicContact CZ-SD 4.26Å; F123-I209 HydrophobicContact CD2-CD1 3.87Å; F123-I209 HydrophobicContact CE1-CD1 4.38Å; F123-I209 HydrophobicContact CE2-CD1 3.38Å; F123-I209 HydrophobicContact CZ-CD1 3.66Å; F123-L433 HydrophobicContact CB-CD2 4.33Å; F123-L433 HydrophobicContact CD2-CB 4.25Å; F123-L433 HydrophobicContact CD2-CD2 4.21Å; F123-L433 WeakPolarHBondContact CD2-O 3.45Å; F123-A437 HydrophobicContact CD2-CB 4.39Å; F123-A437 HydrophobicContact CE2-CB 4.03Å
124	W	98.9	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-55.4	-47.4	172.2	-173.5	-72.6	0	0	0	111.7	T34 L36 V39 E120 L122 L126 V127 T128 P132 Q136 W139 V140	T34-W124 WeakPolarHBondContact O-CH2 3.13Å; T34-W124 WeakPolarHBondContact O-CZ3 2.95Å; L36-W124 HydrophobicContact CB-CE3 4.13Å; L36-W124 HydrophobicContact CB-CH2 4.26Å; L36-W124 HydrophobicContact CB-CZ3 3.75Å; L36-W124 HydrophobicContact CD1-CD2 3.85Å; L36-W124 HydrophobicContact CD1-CE3 3.8Å; L36-W124 HydrophobicContact CD1-CG 4.38Å; L36-W124 HydrophobicContact CD1-CH2 4.33Å; L36-W124 HydrophobicContact CD1-CZ2 4.39Å; L36-W124 HydrophobicContact CD1-CZ3 4.06Å; L36-W124 HydrophobicContact CD2-CE3 4.48Å; L36-W124 HydrophobicContact CG-CE3 4.36Å; L36-W124 HydrophobicContact CG-CZ3 4.42Å; V39-W124 HydrophobicContact CG2-CH2 4.24Å; V39-W124 HydrophobicContact CG2-CZ2 4.02Å; E120-W124 PolarHBondContact O-N 2.78Å; L122-W124 VanDerWaalsContact C-N 3.31Å; L122-W124 PolarHBondContact O-N 3.28Å; W124-L126 PolarHBondContact O-N 3.43Å; W124-V127 PolarHBondContact O-N 3.39Å; W124-T128 VanDerWaalsContact CD1-OG1 3.25Å; W124-T128 HydrophobicContact CG-CG2 4.43Å; W124-T128 PolarHBondContact NE1-OG1 2.86Å; W124-T128 WeakPolarHBondContact O-CB 3.26Å; W124-T128 WeakPolarHBondContact O-CG2 3.26Å; W124-T128 PolarHBondContact O-N 3.45Å; W124-T128 PolarHBondContact O-OG1 3.46Å; W124-P132 HydrophobicContact CB-CB 4.03Å; W124-P132 HydrophobicContact CB-CG 3.93Å; W124-P132 HydrophobicContact CD2-CB 3.93Å; W124-P132 HydrophobicContact CG-CB 3.58Å; W124-P132 HydrophobicContact CG-CG 3.99Å; W124-Q136 HydrophobicContact CD2-CB 4.28Å; W124-Q136 HydrophobicContact CE3-CB 3.97Å; W124-Q136 HydrophobicContact CH2-CB 3.79Å; W124-Q136 HydrophobicContact CH2-CG 3.49Å; W124-Q136 VanDerWaalsContact CH2-CG 3.49Å; W124-Q136 HydrophobicContact CZ2-CB 4.08Å; W124-Q136 HydrophobicContact CZ2-CG 3.72Å; W124-Q136 VanDerWaalsContact CZ2-NE2 3.26Å; W124-Q136 HydrophobicContact CZ3-CB 3.72Å; W124-Q136 HydrophobicContact CZ3-CG 3.95Å; W124-W139 HydrophobicContact CZ3-CE3 4.35Å; W124-V140 HydrophobicContact CE3-CG2 3.76Å; W124-V140 HydrophobicContact CZ3-CG2 4.23Å
125	L	98.9	Very high	98.6	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-58.2	-49.1	176.3	174.3	64.1	0	0	0	111.3	F96 R97 Y99 L108 G121 L122 F123 V127 T128 G129 Q130	F96-L125 HydrophobicContact CB-CD2 4.13Å; R97-L125 HydrophobicContact CB-CD1 4.15Å; R97-L125 HydrophobicContact CB-CG 4.35Å; R97-L125 WeakPolarHBondContact CG-O 3.38Å; Y99-L125 HydrophobicContact CD2-CD1 3.73Å; Y99-L125 HydrophobicContact CD2-CD2 4.12Å; Y99-L125 HydrophobicContact CD2-CG 4.5Å; Y99-L125 HydrophobicContact CE2-CD1 3.74Å; Y99-L125 HydrophobicContact CG-CD2 4.46Å; L108-L125 HydrophobicContact CD2-CB 4.42Å; L108-L125 HydrophobicContact CD2-CD2 4.45Å; G121-L125 PolarHBondContact O-N 3.19Å; L122-L125 HydrophobicContact CD2-CD2 4.42Å; L122-L125 CarbonylContact O-C 3.55Å; L122-L125 WeakPolarHBondContact O-CA 3.37Å; L122-L125 WeakPolarHBondContact O-CB 3.41Å; L122-L125 PolarHBondContact O-N 2.65Å; F123-L125 VanDerWaalsContact C-N 3.31Å; F123-L125 PolarHBondContact O-N 3.19Å; L125-V127 VanDerWaalsContact C-N 3.29Å; L125-V127 PolarHBondContact O-N 2.82Å; L125-T128 PolarHBondContact O-N 3.12Å; L125-G129 VanDerWaalsContact O-CA 3.26Å; L125-G129 WeakPolarHBondContact O-CA 3.23Å; L125-G129 PolarHBondContact O-N 3.11Å; L125-Q130 WeakPolarHBondContact CA-O 3.39Å
126	L	98.9	Very high	98.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.9	-38.2	-179.6	-64.7	-171	0	0	0	112.3	T85 F96 R97 L122 F123 W124 D267 A437	T85-L126 HydrophobicContact CG2-CB 4.29Å; T85-L126 WeakPolarHBondContact O-CD2 3.43Å; F96-L126 HydrophobicContact CB-CD2 3.76Å; F96-L126 HydrophobicContact CD1-CD2 4.09Å; F96-L126 HydrophobicContact CG-CD2 4.16Å; R97-L126 VanDerWaalsContact CZ-O 3.27Å; R97-L126 PolarHBondContact NE-O 3.39Å; R97-L126 PolarHBondContact NH2-O 3Å; L122-L126 HydrophobicContact CD1-CD1 3.48Å; L122-L126 VanDerWaalsContact CD1-CD1 3.48Å; L122-L126 HydrophobicContact CD1-CG 3.74Å; L122-L126 HydrophobicContact CD2-CD1 4.5Å; L122-L126 HydrophobicContact CD2-CD2 4.1Å; L122-L126 HydrophobicContact CD2-CG 4Å; L122-L126 WeakPolarHBondContact O-CG 3.48Å; L122-L126 PolarHBondContact O-N 3.24Å; F123-L126 PolarHBondContact O-N 2.97Å; W124-L126 PolarHBondContact O-N 3.43Å; L126-D267 HydrophobicContact CD1-CB 4.19Å; L126-A437 HydrophobicContact CB-CB 3.87Å
127	V	98.6	Very high	98.7	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-76.2	-36.6	-178.3	173.4	0	0	0	0	111.8	L36 L40 F123 W124 L125 A437 W441	L36-V127 HydrophobicContact CD1-CB 4.39Å; L36-V127 HydrophobicContact CD1-CG1 3.92Å; L36-V127 HydrophobicContact CD2-CG1 4.39Å; L36-V127 HydrophobicContact CG-CG1 4.3Å; L40-V127 HydrophobicContact CD1-CG1 3.44Å; L40-V127 VanDerWaalsContact CD1-CG1 3.44Å; L40-V127 HydrophobicContact CD2-CG1 3.45Å; L40-V127 VanDerWaalsContact CD2-CG1 3.45Å; L40-V127 WeakPolarHBondContact CD2-O 3.3Å; L40-V127 HydrophobicContact CG-CG1 3.52Å; F123-V127 HydrophobicContact CD1-CG2 4.13Å; F123-V127 HydrophobicContact CD2-CG2 4.14Å; F123-V127 HydrophobicContact CE1-CG2 3.76Å; F123-V127 HydrophobicContact CE2-CG2 3.77Å; F123-V127 HydrophobicContact CG-CG2 4.33Å; F123-V127 HydrophobicContact CZ-CG2 3.57Å; F123-V127 WeakPolarHBondContact O-CB 3.28Å; F123-V127 VanDerWaalsContact O-CG2 3.26Å; F123-V127 WeakPolarHBondContact O-CG2 3.24Å; F123-V127 PolarHBondContact O-N 2.9Å; W124-V127 PolarHBondContact O-N 3.39Å; L125-V127 VanDerWaalsContact C-N 3.29Å; L125-V127 PolarHBondContact O-N 2.82Å; V127-A437 HydrophobicContact CG2-CB 3.64Å; V127-W441 WeakPolarHBondContact O-CZ2 3.46Å; V127-W441 PolarHBondContact O-NE1 3.07Å
128	T	98.8	Very high	98.6	Very high	11 Å²	11	25.5 Å²	25.5	7%	0.067	14%	0.136	C	C	.	.	H	α-helix	trans	-109.3	-20.9	-170.6	66.3	0	0	0	0	114.7	L36 V39 L43 W124 L125 Q130	L36-T128 HydrophobicContact CD1-CG2 3.42Å; L36-T128 VanDerWaalsContact CD1-CG2 3.42Å; V39-T128 HydrophobicContact CG1-CG2 3.9Å; L43-T128 HydrophobicContact CD1-CG2 4.43Å; L43-T128 WeakPolarHBondContact CD1-O 3.31Å; W124-T128 VanDerWaalsContact CD1-OG1 3.25Å; W124-T128 HydrophobicContact CG-CG2 4.43Å; W124-T128 PolarHBondContact NE1-OG1 2.86Å; W124-T128 WeakPolarHBondContact O-CB 3.26Å; W124-T128 WeakPolarHBondContact O-CG2 3.26Å; W124-T128 PolarHBondContact O-N 3.45Å; W124-T128 PolarHBondContact O-OG1 3.46Å; L125-T128 PolarHBondContact O-N 3.12Å; T128-Q130 PolarHBondContact O-N 3.36Å; T128-Q130 PolarHBondContact OG1-N 2.89Å; T128-Q130 PolarHBondContact OG1-O 2.93Å
129	G	98.5	Very high	98.6	Very high	21 Å²	21	27.5 Å²	27.5	22%	0.216	14%	0.143	C	C	.	.	S	Bend	trans	70.4	10.4	-166.9	0	0	0	0	0	114.3	L125	L125-G129 VanDerWaalsContact O-CA 3.26Å; L125-G129 WeakPolarHBondContact O-CA 3.23Å; L125-G129 PolarHBondContact O-N 3.11Å
130	Q	98.4	Very high	98.6	Very high	40 Å²	40	27.5 Å²	27.5	19%	0.187	14%	0.143	C	C	.	.	S	Bend	trans	-118.2	143.2	-177.3	-59.2	174.1	17.2	0	0	110.1	L125 T128	L125-Q130 WeakPolarHBondContact CA-O 3.39Å; T128-Q130 PolarHBondContact O-N 3.36Å; T128-Q130 PolarHBondContact OG1-N 2.89Å; T128-Q130 PolarHBondContact OG1-O 2.93Å
131	V	98.5	Very high	98.6	Very high	32 Å²	32	28.1 Å²	28.1	19%	0.194	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-74	124.5	172.6	178.2	0	0	0	0	108.1	Y99 L107 L108	Y99-V131 HydrophobicContact CE1-CG2 4.01Å; Y99-V131 HydrophobicContact CE2-CG2 4.48Å; L107-V131 HydrophobicContact CB-CG1 4.11Å; L107-V131 HydrophobicContact CB-CG2 4.32Å; L107-V131 HydrophobicContact CD1-CG2 4.36Å; L107-V131 WeakPolarHBondContact O-CG1 3.49Å; L108-V131 HydrophobicContact CD2-CG1 4.44Å
132	P	98.4	Very high	98.6	Very high	7 Å²	7	33.4 Å²	33.4	5%	0.045	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-74	157.4	-179.1	28.2	-33.2	0	0	0	113.1	L108 W124 Q136 V137	L108-P132 HydrophobicContact CD2-CG 4.49Å; W124-P132 HydrophobicContact CB-CB 4.03Å; W124-P132 HydrophobicContact CB-CG 3.93Å; W124-P132 HydrophobicContact CD2-CB 3.93Å; W124-P132 HydrophobicContact CG-CB 3.58Å; W124-P132 HydrophobicContact CG-CG 3.99Å; P132-Q136 VanDerWaalsContact CA-OE1 3.27Å; P132-Q136 HydrophobicContact CB-CB 3.94Å; P132-V137 HydrophobicContact CB-CG2 3.89Å; P132-V137 HydrophobicContact CG-CG2 3.62Å
133	T	98.4	Very high	98.6	Very high	67 Å²	67	34.6 Å²	34.6	41%	0.411	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-78	168.7	164.3	79.1	0	0	0	0	111.7	E135 Q136 V137	T133-E135 VanDerWaalsContact C-N 3.3Å; T133-E135 VanDerWaalsContact CB-OE2 3.25Å; T133-E135 WeakPolarHBondContact CB-OE2 3.38Å; T133-E135 PolarHBondContact O-N 3Å; T133-E135 PolarHBondContact OG1-N 3Å; T133-E135 PolarHBondContact OG1-OE2 3.37Å; T133-Q136 PolarHBondContact O-N 3Å; T133-Q136 PolarHBondContact OG1-N 2.83Å; T133-V137 PolarHBondContact O-N 3.46Å; T133-V137 VanDerWaalsContact O-N 3.07Å
134	E	97.9	Very high	98.6	Very high	133 Å²	133	34.7 Å²	34.7	62%	0.621	18%	0.176	S	C	*	.	H	α-helix	trans	-60.8	-38.8	174.8	-65.5	-172	176.5	0	0	112	P109 Q136 V137 N138	P109-E134 HydrophobicContact CB-CG 4.35Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 3.48Å; E134-V137 PolarHBondContact O-N 2.58Å; E134-N138 WeakPolarHBondContact O-CB 3.43Å; E134-N138 PolarHBondContact O-N 3.47Å; E134-N138 PolarHBondContact O-ND2 2.74Å; E134-N138 VanDerWaalsContact O-ND2 3.12Å
135	E	98.1	Very high	98.6	Very high	119 Å²	119	35.5 Å²	35.5	56%	0.556	18%	0.183	S	C	*	.	H	α-helix	trans	-65.5	-37.4	178.2	-57.7	78.7	-171.5	0	0	112.1	T34 T133 W139	T34-E135 HydrophobicContact CG2-CB 4.03Å; T133-E135 VanDerWaalsContact C-N 3.3Å; T133-E135 VanDerWaalsContact CB-OE2 3.25Å; T133-E135 WeakPolarHBondContact CB-OE2 3.38Å; T133-E135 PolarHBondContact O-N 3Å; T133-E135 PolarHBondContact OG1-N 3Å; T133-E135 PolarHBondContact OG1-OE2 3.37Å; E135-W139 WeakPolarHBondContact O-CB 3.31Å; E135-W139 PolarHBondContact O-N 2.77Å
136	Q	98.6	Very high	98.6	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.056	21%	0.213	C	C	.	.	H	α-helix	trans	-66.9	-43.9	175.7	-75.5	172.7	-22.3	0	0	111.5	T33 T34 W124 P132 T133 E134 W139 V140	T33-Q136 PolarHBondContact O-NE2 2.62Å; T34-Q136 HydrophobicContact CG2-CG 4.26Å; W124-Q136 HydrophobicContact CD2-CB 4.28Å; W124-Q136 HydrophobicContact CE3-CB 3.97Å; W124-Q136 HydrophobicContact CH2-CB 3.79Å; W124-Q136 HydrophobicContact CH2-CG 3.49Å; W124-Q136 VanDerWaalsContact CH2-CG 3.49Å; W124-Q136 HydrophobicContact CZ2-CB 4.08Å; W124-Q136 HydrophobicContact CZ2-CG 3.72Å; W124-Q136 VanDerWaalsContact CZ2-NE2 3.26Å; W124-Q136 HydrophobicContact CZ3-CB 3.72Å; W124-Q136 HydrophobicContact CZ3-CG 3.95Å; P132-Q136 VanDerWaalsContact CA-OE1 3.27Å; P132-Q136 HydrophobicContact CB-CB 3.94Å; T133-Q136 PolarHBondContact O-N 3Å; T133-Q136 PolarHBondContact OG1-N 2.83Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 3.48Å; Q136-W139 WeakPolarHBondContact O-CB 3.39Å; Q136-W139 PolarHBondContact O-N 2.93Å; Q136-V140 WeakPolarHBondContact O-CG2 3.49Å; Q136-V140 PolarHBondContact O-N 3.1Å
137	V	98.7	Very high	98.6	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-46.7	174.7	170.2	0	0	0	0	111.2	P109 L118 E120 P132 T133 E134 W139 V140 S141	P109-V137 HydrophobicContact CB-CB 4.24Å; P109-V137 HydrophobicContact CB-CG1 4.43Å; P109-V137 HydrophobicContact CB-CG2 3.88Å; P109-V137 HydrophobicContact CG-CB 4.39Å; P109-V137 HydrophobicContact CG-CG2 3.64Å; L118-V137 HydrophobicContact CB-CG1 4.2Å; L118-V137 HydrophobicContact CD1-CG1 3.62Å; E120-V137 HydrophobicContact CB-CG1 3.96Å; P132-V137 HydrophobicContact CB-CG2 3.89Å; P132-V137 HydrophobicContact CG-CG2 3.62Å; T133-V137 PolarHBondContact O-N 3.46Å; T133-V137 VanDerWaalsContact O-N 3.07Å; E134-V137 PolarHBondContact O-N 2.58Å; V137-W139 VanDerWaalsContact C-N 3.25Å; V137-W139 PolarHBondContact O-N 3.14Å; V137-V140 PolarHBondContact O-N 3.42Å; V137-V140 VanDerWaalsContact O-N 3.08Å; V137-S141 PolarHBondContact O-N 2.9Å; V137-S141 PolarHBondContact O-OG 3.04Å
138	N	98.4	Very high	98.6	Very high	82 Å²	82	45 Å²	45	44%	0.439	22%	0.224	S	C	.	.	H	α-helix	trans	-60.7	-34.5	176.7	-74	-32.1	0	0	0	112.6	E134 K142	E134-N138 WeakPolarHBondContact O-CB 3.43Å; E134-N138 PolarHBondContact O-N 3.47Å; E134-N138 PolarHBondContact O-ND2 2.74Å; E134-N138 VanDerWaalsContact O-ND2 3.12Å; N138-K142 WeakPolarHBondContact O-CG 3.39Å; N138-K142 PolarHBondContact O-N 3.21Å; N138-K142 VanDerWaalsContact O-N 3.15Å
139	W	98.7	Very high	98.6	Very high	49 Å²	49	48.1 Å²	48.1	19%	0.186	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-44.8	173.7	178.7	91.5	0	0	0	111.4	T34 N35 L36 W124 E135 Q136 V137 K142 E143	T34-W139 VanDerWaalsContact O-CE3 3.26Å; N35-W139 HydrophobicContact CB-CZ2 4.21Å; L36-W139 HydrophobicContact CB-CE3 4.43Å; L36-W139 HydrophobicContact CB-CH2 3.99Å; L36-W139 HydrophobicContact CB-CZ3 3.51Å; W124-W139 HydrophobicContact CZ3-CE3 4.35Å; E135-W139 WeakPolarHBondContact O-CB 3.31Å; E135-W139 PolarHBondContact O-N 2.77Å; Q136-W139 WeakPolarHBondContact O-CB 3.39Å; Q136-W139 PolarHBondContact O-N 2.93Å; V137-W139 VanDerWaalsContact C-N 3.25Å; V137-W139 PolarHBondContact O-N 3.14Å; W139-K142 PolarHBondContact O-N 3.25Å; W139-E143 HydrophobicContact CD2-CG 3.98Å; W139-E143 HydrophobicContact CE3-CG 4.18Å; W139-E143 HydrophobicContact CH2-CG 3.86Å; W139-E143 HydrophobicContact CZ2-CG 3.64Å; W139-E143 HydrophobicContact CZ3-CG 4.11Å; W139-E143 WeakPolarHBondContact O-CG 3.33Å; W139-E143 PolarHBondContact O-N 3.27Å
140	V	98.8	Very high	98.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-46.2	176.4	176.4	0	0	0	0	111.3	E120 W124 Q136 V137 K142 E143 W144	E120-V140 HydrophobicContact CB-CB 4.11Å; E120-V140 HydrophobicContact CB-CG1 3.85Å; E120-V140 HydrophobicContact CG-CB 4.25Å; E120-V140 HydrophobicContact CG-CG1 3.79Å; W124-V140 HydrophobicContact CE3-CG2 3.76Å; W124-V140 HydrophobicContact CZ3-CG2 4.23Å; Q136-V140 WeakPolarHBondContact O-CG2 3.49Å; Q136-V140 PolarHBondContact O-N 3.1Å; V137-V140 PolarHBondContact O-N 3.42Å; V137-V140 VanDerWaalsContact O-N 3.08Å; V140-K142 VanDerWaalsContact C-N 3.29Å; V140-K142 PolarHBondContact O-N 3.01Å; V140-E143 PolarHBondContact O-N 2.68Å; V140-E143 VanDerWaalsContact O-N 3.13Å; V140-W144 HydrophobicContact CG1-CD2 3.8Å; V140-W144 HydrophobicContact CG1-CE3 4.17Å; V140-W144 HydrophobicContact CG1-CG 4.38Å; V140-W144 HydrophobicContact CG1-CH2 4.05Å; V140-W144 HydrophobicContact CG1-CZ2 3.65Å; V140-W144 HydrophobicContact CG1-CZ3 4.31Å; V140-W144 PolarHBondContact O-N 2.79Å
141	S	98.9	Very high	98.6	Very high	12 Å²	12	48 Å²	48	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-56.4	-44.6	177.6	-59.2	0	0	0	0	111.5	E120 V137 W144 A145	E120-S141 VanDerWaalsContact CD-OG 3.29Å; E120-S141 WeakPolarHBondContact CG-OG 2.77Å; E120-S141 PolarHBondContact OE1-OG 3.42Å; V137-S141 PolarHBondContact O-N 2.9Å; V137-S141 PolarHBondContact O-OG 3.04Å; S141-W144 PolarHBondContact O-N 2.75Å; S141-A145 WeakPolarHBondContact O-CB 3.47Å; S141-A145 PolarHBondContact O-N 2.8Å
142	K	98.8	Very high	98.6	Very high	112 Å²	112	51 Å²	51	49%	0.487	27%	0.27	S	S	.	.	H	α-helix	trans	-65.8	-40.2	176.7	-73.9	175.9	-178.7	178.3	0	112.6	N138 W139 V140 A145 K146	N138-K142 WeakPolarHBondContact O-CG 3.39Å; N138-K142 PolarHBondContact O-N 3.21Å; N138-K142 VanDerWaalsContact O-N 3.15Å; W139-K142 PolarHBondContact O-N 3.25Å; V140-K142 VanDerWaalsContact C-N 3.29Å; V140-K142 PolarHBondContact O-N 3.01Å; K142-A145 PolarHBondContact O-N 3.19Å; K142-K146 VanDerWaalsContact O-CG 3.25Å; K142-K146 WeakPolarHBondContact O-CG 3.26Å; K142-K146 PolarHBondContact O-N 3.02Å; K142-K146 VanDerWaalsContact O-N 3.12Å
143	E	98.9	Very high	98.6	Very high	25 Å²	25	54.6 Å²	54.6	12%	0.117	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-45.3	176.8	-78.7	-60.1	108	0	0	111.6	W139 V140 K146 R147 M206	W139-E143 HydrophobicContact CD2-CG 3.98Å; W139-E143 HydrophobicContact CE3-CG 4.18Å; W139-E143 HydrophobicContact CH2-CG 3.86Å; W139-E143 HydrophobicContact CZ2-CG 3.64Å; W139-E143 HydrophobicContact CZ3-CG 4.11Å; W139-E143 WeakPolarHBondContact O-CG 3.33Å; W139-E143 PolarHBondContact O-N 3.27Å; V140-E143 PolarHBondContact O-N 2.68Å; V140-E143 VanDerWaalsContact O-N 3.13Å; E143-K146 PolarHBondContact O-N 2.89Å; E143-K146 IonicContact OE1-NZ 3.69Å; E143-K146 PolarHBondContact OE1-NZ 2.86Å; E143-R147 WeakPolarHBondContact O-CB 3.36Å; E143-R147 VanDerWaalsContact O-CD 3.32Å; E143-R147 WeakPolarHBondContact O-CD 3.41Å; E143-R147 WeakPolarHBondContact O-CG 3.44Å; E143-R147 PolarHBondContact O-N 3.39Å; E143-R147 VanDerWaalsContact O-N 3.13Å; E143-R147 IonicContact OE2-CZ 2.94Å; E143-R147 IonicContact OE2-NE 2.68Å; E143-R147 PolarHBondContact OE2-NE 2.94Å; E143-R147 VanDerWaalsContact OE2-NE 3.15Å; E143-R147 IonicContact OE2-NH2 3.56Å; E143-R147 PolarHBondContact OE2-NH2 2.99Å; E143-R147 VanDerWaalsContact OE2-NH2 3.12Å; E143-M206 HydrophobicContact CB-CE 4.16Å
144	W	98.9	Very high	98.6	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.011	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-39.7	177.4	-68.7	-11.3	0	0	0	112.2	E120 F123 V140 S141 K146 R147 A148 M206 I209 A210 W239 L433	E120-W144 HydrophobicContact CB-CZ3 4.27Å; E120-W144 HydrophobicContact CG-CE3 3.75Å; E120-W144 HydrophobicContact CG-CH2 4.23Å; E120-W144 HydrophobicContact CG-CZ3 3.54Å; F123-W144 HydrophobicContact CB-CH2 3.82Å; F123-W144 HydrophobicContact CB-CZ2 3.98Å; F123-W144 HydrophobicContact CD1-CH2 4.32Å; F123-W144 AromaticContact CD1-CZ2 3.6Å; F123-W144 HydrophobicContact CD1-CZ2 3.6Å; F123-W144 HydrophobicContact CE1-CZ2 4.19Å; F123-W144 HydrophobicContact CG-CH2 4.12Å; F123-W144 AromaticContact CG-CZ2 3.78Å; F123-W144 HydrophobicContact CG-CZ2 3.78Å; V140-W144 HydrophobicContact CG1-CD2 3.8Å; V140-W144 HydrophobicContact CG1-CE3 4.17Å; V140-W144 HydrophobicContact CG1-CG 4.38Å; V140-W144 HydrophobicContact CG1-CH2 4.05Å; V140-W144 HydrophobicContact CG1-CZ2 3.65Å; V140-W144 HydrophobicContact CG1-CZ3 4.31Å; V140-W144 PolarHBondContact O-N 2.79Å; S141-W144 PolarHBondContact O-N 2.75Å; W144-K146 VanDerWaalsContact C-N 3.31Å; W144-K146 PolarHBondContact O-N 2.89Å; W144-R147 PolarHBondContact O-N 3.28Å; W144-A148 WeakPolarHBondContact O-CB 3.48Å; W144-A148 PolarHBondContact O-N 3.09Å; W144-M206 VanDerWaalsContact NE1-CE 3.33Å; W144-M206 PolarHBondContact NE1-SD 3.46Å; W144-M206 VanDerWaalsContact NE1-SD 3.38Å; W144-I209 HydrophobicContact CD2-CG2 3.9Å; W144-I209 HydrophobicContact CE3-CG2 4.07Å; W144-I209 HydrophobicContact CH2-CG2 3.8Å; W144-I209 HydrophobicContact CZ2-CB 4.47Å; W144-I209 HydrophobicContact CZ2-CD1 4.34Å; W144-I209 HydrophobicContact CZ2-CG2 3.59Å; W144-I209 HydrophobicContact CZ3-CG2 4.01Å; W144-A210 HydrophobicContact CB-CB 4.12Å; W144-A210 HydrophobicContact CG-CB 4.48Å; W144-A210 WeakPolarHBondContact O-CB 3.3Å; W144-W239 HydrophobicContact CE3-CB 3.7Å; W144-W239 AromaticContact CE3-CD1 3.58Å; W144-W239 AromaticContact CE3-CD2 3.96Å; W144-W239 HydrophobicContact CE3-CD2 3.96Å; W144-W239 AromaticContact CE3-CG 3.49Å; W144-W239 HydrophobicContact CE3-CG 3.49Å; W144-W239 VanDerWaalsContact CE3-CG 3.49Å; W144-W239 HydrophobicContact CZ3-CB 4.03Å; W144-W239 AromaticContact CZ3-CD2 3.87Å; W144-W239 HydrophobicContact CZ3-CD2 3.87Å; W144-W239 HydrophobicContact CZ3-CE3 4.14Å; W144-W239 AromaticContact CZ3-CG 3.83Å; W144-W239 HydrophobicContact CZ3-CG 3.83Å; W144-L433 HydrophobicContact CH2-CD2 3.79Å; W144-L433 HydrophobicContact CZ2-CD2 4.39Å; W144-L433 HydrophobicContact CZ3-CD2 4.48Å
145	A	98.8	Very high	98.7	Very high	17 Å²	17	47.2 Å²	47.2	14%	0.14	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-40.5	174.5	0	0	0	0	0	112.7	S141 K142 R147 I233	S141-A145 WeakPolarHBondContact O-CB 3.47Å; S141-A145 PolarHBondContact O-N 2.8Å; K142-A145 PolarHBondContact O-N 3.19Å; A145-R147 VanDerWaalsContact C-N 3.34Å; A145-R147 PolarHBondContact O-N 2.67Å; A145-I233 HydrophobicContact CB-CG2 3.79Å
146	K	98.7	Very high	98.7	Very high	144 Å²	144	45.2 Å²	45.2	63%	0.626	25%	0.245	S	C	*	.	H	α-helix	trans	-67.5	-31.9	177.6	-68.9	168.9	-163	167.9	0	113.4	K142 E143 W144	K142-K146 VanDerWaalsContact O-CG 3.25Å; K142-K146 WeakPolarHBondContact O-CG 3.26Å; K142-K146 PolarHBondContact O-N 3.02Å; K142-K146 VanDerWaalsContact O-N 3.12Å; E143-K146 PolarHBondContact O-N 2.89Å; E143-K146 IonicContact OE1-NZ 3.69Å; E143-K146 PolarHBondContact OE1-NZ 2.86Å; W144-K146 VanDerWaalsContact C-N 3.31Å; W144-K146 PolarHBondContact O-N 2.89Å
147	R	98.8	Very high	98.7	Very high	51 Å²	51	47.2 Å²	47.2	19%	0.192	26%	0.256	C	S	.	.	H	α-helix	trans	-90.9	-4.9	-172.8	-67.5	165.7	-178	-98	6.2	113.9	E143 W144 A145 A149 E203 D207 A210 K211	E143-R147 WeakPolarHBondContact O-CB 3.36Å; E143-R147 VanDerWaalsContact O-CD 3.32Å; E143-R147 WeakPolarHBondContact O-CD 3.41Å; E143-R147 WeakPolarHBondContact O-CG 3.44Å; E143-R147 PolarHBondContact O-N 3.39Å; E143-R147 VanDerWaalsContact O-N 3.13Å; E143-R147 IonicContact OE2-CZ 2.94Å; E143-R147 IonicContact OE2-NE 2.68Å; E143-R147 PolarHBondContact OE2-NE 2.94Å; E143-R147 VanDerWaalsContact OE2-NE 3.15Å; E143-R147 IonicContact OE2-NH2 3.56Å; E143-R147 PolarHBondContact OE2-NH2 2.99Å; E143-R147 VanDerWaalsContact OE2-NH2 3.12Å; W144-R147 PolarHBondContact O-N 3.28Å; A145-R147 VanDerWaalsContact C-N 3.34Å; A145-R147 PolarHBondContact O-N 2.67Å; R147-A149 PolarHBondContact O-N 2.78Å; R147-A149 VanDerWaalsContact O-N 3.15Å; R147-E203 IonicContact CZ-OE2 3.15Å; R147-E203 IonicContact NH1-OE2 3.66Å; R147-E203 PolarHBondContact NH1-OE2 3.4Å; R147-E203 IonicContact NH2-OE2 2.81Å; R147-E203 PolarHBondContact NH2-OE2 3.06Å; R147-D207 VanDerWaalsContact CD-OD1 3.29Å; R147-D207 WeakPolarHBondContact CD-OD1 3.45Å; R147-D207 WeakPolarHBondContact CG-OD1 3.39Å; R147-D207 IonicContact CZ-OD1 2.65Å; R147-D207 IonicContact NE-OD1 3.52Å; R147-D207 IonicContact NH1-OD1 3.94Å; R147-D207 PolarHBondContact NH1-OD1 3.26Å; R147-A210 HydrophobicContact CB-CB 3.54Å; R147-K211 WeakPolarHBondContact O-CE 3.42Å
148	A	98.6	Very high	98.7	Very high	6 Å²	6	47.2 Å²	47.2	5%	0.05	26%	0.255	C	S	.	.			trans	-74.5	0.1	-169.5	0	0	0	0	0	115.8	W144 A210 C214 I233	W144-A148 WeakPolarHBondContact O-CB 3.48Å; W144-A148 PolarHBondContact O-N 3.09Å; A148-A210 HydrophobicContact CB-CB 4.39Å; A148-A210 WeakPolarHBondContact CB-O 3.45Å; A148-C214 PolarHBondContact O-SG 3.16Å; A148-I233 HydrophobicContact CB-CD1 4.15Å; A148-I233 HydrophobicContact CB-CG1 3.93Å
149	A	98.2	Very high	98.7	Very high	76 Å²	76	47 Å²	47	63%	0.628	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-65	136.2	-178.1	0	0	0	0	0	112.3	R147 K211	R147-A149 PolarHBondContact O-N 2.78Å; R147-A149 VanDerWaalsContact O-N 3.15Å; A149-K211 WeakPolarHBondContact O-CE 3.47Å
150	L	98.6	Very high	98.7	Very high	36 Å²	36	50.4 Å²	50.4	19%	0.188	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-102.7	136.2	173.2	-62.3	-178.2	0	0	0	110.4	V155 L178 K211 C214 I215	L150-V155 HydrophobicContact CB-CG2 3.86Å; L150-V155 HydrophobicContact CD1-CG2 4.43Å; L150-L178 HydrophobicContact CD2-CD1 4.19Å; L150-L178 HydrophobicContact CD2-CD2 4.2Å; L150-K211 HydrophobicContact CD2-CB 3.79Å; L150-K211 HydrophobicContact CD2-CD 4.36Å; L150-K211 HydrophobicContact CD2-CG 4Å; L150-C214 HydrophobicContact CD1-CB 3.69Å; L150-C214 HydrophobicContact CD2-CB 4.36Å; L150-C214 HydrophobicContact CG-CB 3.93Å; L150-I215 HydrophobicContact CD1-CG1 4.17Å; L150-I215 HydrophobicContact CD2-CG1 3.9Å
151	P	98.6	Very high	98.7	Very high	23 Å²	23	52.5 Å²	52.5	15%	0.149	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-69.4	151.5	171.9	31.9	-35.2	0	0	0	110.5	H153 V154 V155 L178 E181	P151-H153 VanDerWaalsContact C-N 3.28Å; P151-H153 WeakPolarHBondContact CG-CE1 3.46Å; P151-H153 PolarHBondContact O-N 2.75Å; P151-V154 HydrophobicContact CG-CB 4.26Å; P151-V154 HydrophobicContact CG-CG2 3.84Å; P151-V154 PolarHBondContact O-N 3.4Å; P151-V154 VanDerWaalsContact O-N 3.1Å; P151-V155 PolarHBondContact O-N 3.03Å; P151-L178 VanDerWaalsContact CD-CD2 3.44Å; P151-L178 HydrophobicContact CG-CD2 3.83Å; P151-E181 HydrophobicContact CG-CG 4.14Å
152	S	98.6	Very high	98.7	Very high	95 Å²	95	55.2 Å²	55.2	66%	0.664	30%	0.303	S	S	*	.	H	α-helix	trans	-59.7	-34.9	-171.3	57.4	0	0	0	0	113.5	V154 V155 T156	S152-V154 VanDerWaalsContact C-N 3.29Å; S152-V154 PolarHBondContact O-N 2.88Å; S152-V155 PolarHBondContact O-N 2.67Å; S152-T156 WeakPolarHBondContact O-CB 3.45Å; S152-T156 PolarHBondContact O-N 3.36Å; S152-T156 PolarHBondContact O-OG1 3.19Å; S152-T156 VanDerWaalsContact O-OG1 3.06Å
153	H	98.8	Very high	98.7	Very high	82 Å²	82	55.3 Å²	55.3	38%	0.38	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-34.1	179.1	67.7	-81.7	0	0	0	112.6	P151 M157 A177 S180	P151-H153 VanDerWaalsContact C-N 3.28Å; P151-H153 WeakPolarHBondContact CG-CE1 3.46Å; P151-H153 PolarHBondContact O-N 2.75Å; H153-M157 VanDerWaalsContact O-CB 3.27Å; H153-M157 WeakPolarHBondContact O-CB 3.42Å; H153-M157 PolarHBondContact O-N 3.42Å; H153-A177 PolarHBondContact NE2-O 2.85Å; H153-A177 VanDerWaalsContact NE2-O 3.14Å; H153-S180 PolarHBondContact CE1-OG 3.38Å; H153-S180 PolarHBondContact NE2-OG 3.45Å
154	V	98.9	Very high	98.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-72.1	-41.4	176.7	175.1	0	0	0	0	110.7	P151 S152 M157 L158 A174 A177 L178	P151-V154 HydrophobicContact CG-CB 4.26Å; P151-V154 HydrophobicContact CG-CG2 3.84Å; P151-V154 PolarHBondContact O-N 3.4Å; P151-V154 VanDerWaalsContact O-N 3.1Å; S152-V154 VanDerWaalsContact C-N 3.29Å; S152-V154 PolarHBondContact O-N 2.88Å; V154-M157 PolarHBondContact O-N 3.2Å; V154-L158 HydrophobicContact CG1-CD1 3.96Å; V154-L158 WeakPolarHBondContact O-CB 2.99Å; V154-L158 WeakPolarHBondContact O-CG 3.31Å; V154-L158 PolarHBondContact O-N 3Å; V154-A174 HydrophobicContact CG1-CB 4.27Å; V154-A177 HydrophobicContact CG2-CB 4.04Å; V154-L178 HydrophobicContact CB-CD2 4.41Å; V154-L178 HydrophobicContact CG1-CD2 4.41Å; V154-L178 HydrophobicContact CG1-CG 4.27Å; V154-L178 HydrophobicContact CG2-CD2 3.81Å; V154-L178 HydrophobicContact CG2-CG 3.94Å
155	V	98.8	Very high	98.7	Very high	45 Å²	45	63.1 Å²	63.1	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-59.3	-51.2	175.3	177.5	0	0	0	0	110.2	L150 P151 S152 M157 L158 D159 K218	L150-V155 HydrophobicContact CB-CG2 3.86Å; L150-V155 HydrophobicContact CD1-CG2 4.43Å; P151-V155 PolarHBondContact O-N 3.03Å; S152-V155 PolarHBondContact O-N 2.67Å; V155-M157 VanDerWaalsContact C-N 3.34Å; V155-M157 PolarHBondContact O-N 3.05Å; V155-L158 PolarHBondContact O-N 3.38Å; V155-D159 PolarHBondContact O-N 3.46Å; V155-K218 HydrophobicContact CG1-CD 4.4Å; V155-K218 VanDerWaalsContact CG1-CE 3.47Å; V155-K218 WeakPolarHBondContact O-CE 3.22Å
156	T	98.9	Very high	98.7	Very high	77 Å²	77	65.4 Å²	65.4	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-60.7	-41.5	178	-61.5	0	0	0	0	112.2	S152 D159 N160	S152-T156 WeakPolarHBondContact O-CB 3.45Å; S152-T156 PolarHBondContact O-N 3.36Å; S152-T156 PolarHBondContact O-OG1 3.19Å; S152-T156 VanDerWaalsContact O-OG1 3.06Å; T156-D159 PolarHBondContact O-N 3.27Å; T156-N160 WeakPolarHBondContact CG2-ND2 3.4Å; T156-N160 WeakPolarHBondContact O-CB 3.32Å; T156-N160 VanDerWaalsContact O-CG 3.32Å; T156-N160 PolarHBondContact O-N 3.21Å; T156-N160 VanDerWaalsContact O-N 3.15Å; T156-N160 PolarHBondContact O-ND2 2.63Å; T156-N160 VanDerWaalsContact O-ND2 3.14Å
157	M	98.9	Very high	98.7	Very high	55 Å²	55	58.8 Å²	58.8	27%	0.271	34%	0.335	S	S	.	.	H	α-helix	trans	-62.5	-43.7	177.6	-175.2	177.8	67.7	0	0	111.6	H153 V154 V155 D159 N160 F161 A174 A177	H153-M157 VanDerWaalsContact O-CB 3.27Å; H153-M157 WeakPolarHBondContact O-CB 3.42Å; H153-M157 PolarHBondContact O-N 3.42Å; V154-M157 PolarHBondContact O-N 3.2Å; V155-M157 VanDerWaalsContact C-N 3.34Å; V155-M157 PolarHBondContact O-N 3.05Å; M157-D159 VanDerWaalsContact C-N 3.34Å; M157-D159 PolarHBondContact O-N 3.15Å; M157-N160 PolarHBondContact O-N 2.95Å; M157-F161 HydrophobicContact CE-CE2 4.37Å; M157-F161 HydrophobicContact CE-CZ 4.03Å; M157-F161 HydrophobicContact CG-CE1 4.05Å; M157-F161 HydrophobicContact CG-CE2 4.15Å; M157-F161 HydrophobicContact CG-CZ 3.65Å; M157-F161 PolarHBondContact O-N 3.37Å; M157-F161 HydrophobicContact SD-CZ 3.99Å; M157-A174 HydrophobicContact CE-CB 4.1Å; M157-A177 HydrophobicContact CE-CB 3.44Å; M157-A177 VanDerWaalsContact CE-CB 3.44Å; M157-A177 HydrophobicContact SD-CB 4.1Å
158	L	98.9	Very high	98.7	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-38.4	177.6	-76.6	164.7	0	0	0	112.7	V154 V155 N160 F161 A174 I215 K218 I219 N222	V154-L158 HydrophobicContact CG1-CD1 3.96Å; V154-L158 WeakPolarHBondContact O-CB 2.99Å; V154-L158 WeakPolarHBondContact O-CG 3.31Å; V154-L158 PolarHBondContact O-N 3Å; V155-L158 PolarHBondContact O-N 3.38Å; L158-N160 VanDerWaalsContact C-N 3.3Å; L158-N160 PolarHBondContact O-N 2.89Å; L158-F161 HydrophobicContact CD2-CD2 4.14Å; L158-F161 HydrophobicContact CD2-CE2 4.01Å; L158-A174 HydrophobicContact CD1-CB 4.24Å; L158-A174 HydrophobicContact CD2-CB 3.79Å; L158-A174 HydrophobicContact CG-CB 4.08Å; L158-I215 HydrophobicContact CD1-CG2 4.1Å; L158-I215 HydrophobicContact CD2-CG2 4.22Å; L158-K218 HydrophobicContact CB-CD 3.85Å; L158-K218 HydrophobicContact CB-CG 4.15Å; L158-K218 HydrophobicContact CD1-CB 4.32Å; L158-K218 HydrophobicContact CD1-CD 3.79Å; L158-K218 HydrophobicContact CD1-CG 4.32Å; L158-K218 HydrophobicContact CG-CD 4.46Å; L158-I219 HydrophobicContact CD2-CD1 4.04Å; L158-I219 HydrophobicContact CD2-CG1 3.54Å; L158-N222 PolarHBondContact O-ND2 3.2Å
159	D	98.8	Very high	98.7	Very high	77 Å²	77	58.6 Å²	58.6	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-71.1	-25.7	178.3	-71	-25.1	0	0	0	113.5	V155 T156 M157 K218 N222	V155-D159 PolarHBondContact O-N 3.46Å; T156-D159 PolarHBondContact O-N 3.27Å; M157-D159 VanDerWaalsContact C-N 3.34Å; M157-D159 PolarHBondContact O-N 3.15Å; D159-K218 VanDerWaalsContact CG-CE 3.41Å; D159-K218 WeakPolarHBondContact OD1-CE 3.45Å; D159-K218 IonicContact OD1-NZ 2.73Å; D159-K218 PolarHBondContact OD1-NZ 3.31Å; D159-K218 WeakPolarHBondContact OD2-CE 3.2Å; D159-K218 IonicContact OD2-NZ 3.63Å; D159-K218 PolarHBondContact OD2-NZ 3.29Å; D159-N222 WeakPolarHBondContact CA-ND2 3.46Å; D159-N222 PolarHBondContact OD1-ND2 3.24Å
160	N	98.8	Very high	98.7	Very high	122 Å²	122	55 Å²	55	65%	0.652	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.2	-178.5	-70.1	-29.6	0	0	0	113.7	T156 M157 L158	T156-N160 WeakPolarHBondContact CG2-ND2 3.4Å; T156-N160 WeakPolarHBondContact O-CB 3.32Å; T156-N160 VanDerWaalsContact O-CG 3.32Å; T156-N160 PolarHBondContact O-N 3.21Å; T156-N160 VanDerWaalsContact O-N 3.15Å; T156-N160 PolarHBondContact O-ND2 2.63Å; T156-N160 VanDerWaalsContact O-ND2 3.14Å; M157-N160 PolarHBondContact O-N 2.95Å; L158-N160 VanDerWaalsContact C-N 3.3Å; L158-N160 PolarHBondContact O-N 2.89Å
161	F	98.9	Very high	98.8	Very high	44 Å²	44	53.3 Å²	53.3	19%	0.193	30%	0.302	C	S	.	.	S	Bend	trans	-65.3	135.2	175.2	-76.2	-43.9	0	0	0	110.9	M157 L158 L165 Q170 A173	M157-F161 HydrophobicContact CE-CE2 4.37Å; M157-F161 HydrophobicContact CE-CZ 4.03Å; M157-F161 HydrophobicContact CG-CE1 4.05Å; M157-F161 HydrophobicContact CG-CE2 4.15Å; M157-F161 HydrophobicContact CG-CZ 3.65Å; M157-F161 PolarHBondContact O-N 3.37Å; M157-F161 HydrophobicContact SD-CZ 3.99Å; L158-F161 HydrophobicContact CD2-CD2 4.14Å; L158-F161 HydrophobicContact CD2-CE2 4.01Å; F161-L165 HydrophobicContact CB-CD2 4.27Å; F161-L165 HydrophobicContact CD1-CD2 3.41Å; F161-L165 VanDerWaalsContact CD1-CD2 3.41Å; F161-L165 HydrophobicContact CE1-CD2 3.81Å; F161-L165 HydrophobicContact CG-CD2 3.86Å; F161-Q170 HydrophobicContact CB-CG 4.09Å; F161-Q170 HydrophobicContact CD2-CB 3.72Å; F161-Q170 HydrophobicContact CD2-CG 3.65Å; F161-Q170 HydrophobicContact CE2-CB 3.92Å; F161-Q170 HydrophobicContact CE2-CG 4.25Å; F161-Q170 HydrophobicContact CG-CB 4.49Å; F161-Q170 HydrophobicContact CG-CG 3.94Å; F161-A173 HydrophobicContact CE1-CB 4.47Å; F161-A173 HydrophobicContact CE2-CB 4.46Å; F161-A173 HydrophobicContact CZ-CB 3.7Å
162	P	98.6	Very high	98.8	Very high	69 Å²	69	52.6 Å²	52.6	45%	0.448	30%	0.298	S	S	.	.			trans	-71.9	149.4	176.2	33.3	-36.4	0	0	0	110.1	N164 L165	P162-N164 VanDerWaalsContact CB-OD1 3.28Å; P162-N164 WeakPolarHBondContact CB-OD1 3.33Å; P162-N164 WeakPolarHBondContact CG-OD1 3.41Å; P162-N164 PolarHBondContact O-N 2.97Å; P162-N164 VanDerWaalsContact O-N 3.11Å; P162-L165 HydrophobicContact CG-CB 4.13Å; P162-L165 WeakPolarHBondContact O-CB 3.47Å; P162-L165 PolarHBondContact O-N 3.42Å
163	T	98.4	Very high	98.8	Very high	114 Å²	114	49.8 Å²	49.8	70%	0.699	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.6	-175	55.1	0	0	0	0	114.2	L223	T163-L223 HydrophobicContact CG2-CD2 4.48Å
164	N	98.2	Very high	98.8	Very high	140 Å²	140	45.9 Å²	45.9	75%	0.749	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.5	174.7	71.2	-29.3	0	0	0	113.6	P162 H166	P162-N164 VanDerWaalsContact CB-OD1 3.28Å; P162-N164 WeakPolarHBondContact CB-OD1 3.33Å; P162-N164 WeakPolarHBondContact CG-OD1 3.41Å; P162-N164 PolarHBondContact O-N 2.97Å; P162-N164 VanDerWaalsContact O-N 3.11Å; N164-H166 PolarHBondContact O-N 2.79Å
165	L	98.8	Very high	98.8	Very high	52 Å²	52	45.9 Å²	45.9	27%	0.272	26%	0.262	S	S	.	.	S	Bend	trans	-74.6	121	174.5	-178.5	59.3	0	0	0	109.4	F161 P162 Q170	F161-L165 HydrophobicContact CB-CD2 4.27Å; F161-L165 HydrophobicContact CD1-CD2 3.41Å; F161-L165 VanDerWaalsContact CD1-CD2 3.41Å; F161-L165 HydrophobicContact CE1-CD2 3.81Å; F161-L165 HydrophobicContact CG-CD2 3.86Å; P162-L165 HydrophobicContact CG-CB 4.13Å; P162-L165 WeakPolarHBondContact O-CB 3.47Å; P162-L165 PolarHBondContact O-N 3.42Å; L165-Q170 HydrophobicContact CB-CG 4.2Å; L165-Q170 HydrophobicContact CD2-CG 3.76Å; L165-Q170 HydrophobicContact CG-CG 3.76Å; L165-Q170 PolarHBondContact O-NE2 2.65Å
166	H	98.8	Very high	98.8	Very high	65 Å²	65	46.7 Å²	46.7	30%	0.301	27%	0.267	S	S	.	.			trans	-54.1	137.9	-176.5	-169.1	-84.9	0	0	0	111.7	N164 M168 S169 Q170	N164-H166 PolarHBondContact O-N 2.79Å; H166-M168 VanDerWaalsContact C-N 3.29Å; H166-M168 PolarHBondContact ND1-N 3.25Å; H166-M168 VanDerWaalsContact ND1-N 3.19Å; H166-M168 PolarHBondContact O-N 3.2Å; H166-S169 WeakPolarHBondContact O-CA 3.43Å; H166-S169 WeakPolarHBondContact O-CB 3.15Å; H166-S169 PolarHBondContact O-N 3.44Å; H166-Q170 PolarHBondContact O-N 3.37Å; H166-Q170 VanDerWaalsContact O-N 3.08Å
167	P	98.9	Very high	98.8	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-56.8	-37.1	-176.1	20.4	-34.6	0	0	0	113.7	S169 Q170 F171 I219 L223 N421 Y422 V425	P167-S169 VanDerWaalsContact C-N 3.31Å; P167-S169 PolarHBondContact O-N 3.23Å; P167-Q170 PolarHBondContact O-N 3.28Å; P167-F171 WeakPolarHBondContact O-CB 3.19Å; P167-F171 PolarHBondContact O-N 2.96Å; P167-I219 HydrophobicContact CB-CG2 3.79Å; P167-L223 HydrophobicContact CB-CD1 3.81Å; P167-L223 HydrophobicContact CG-CD1 4.37Å; P167-N421 HydrophobicContact CG-CB 4.09Å; P167-N421 WeakPolarHBondContact CG-O 3.39Å; P167-Y422 HydrophobicContact CB-CD2 4.09Å; P167-V425 HydrophobicContact CB-CG2 3.9Å
168	M	98.9	Very high	98.8	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-34.7	172.9	-75.5	-62.9	-66.6	0	0	113.6	H166 F171 S172 M296 L299 A300 T424 V425	H166-M168 VanDerWaalsContact C-N 3.29Å; H166-M168 PolarHBondContact ND1-N 3.25Å; H166-M168 VanDerWaalsContact ND1-N 3.19Å; H166-M168 PolarHBondContact O-N 3.2Å; M168-F171 PolarHBondContact O-N 3.31Å; M168-F171 HydrophobicContact SD-CD1 4.45Å; M168-S172 PolarHBondContact O-N 3.28Å; M168-M296 HydrophobicContact CE-CB 3.89Å; M168-M296 HydrophobicContact CE-CG 4.44Å; M168-M296 WeakPolarHBondContact CE-O 3.49Å; M168-M296 HydrophobicContact CE-SD 3.99Å; M168-L299 HydrophobicContact CE-CB 4.1Å; M168-L299 HydrophobicContact CE-CD2 4.25Å; M168-L299 HydrophobicContact CE-CG 4.33Å; M168-A300 HydrophobicContact CB-CB 3.87Å; M168-A300 HydrophobicContact CE-CB 4.27Å; M168-A300 HydrophobicContact CG-CB 4.24Å; M168-T424 HydrophobicContact CE-CG2 3.95Å; M168-T424 HydrophobicContact CG-CG2 3.88Å; M168-T424 HydrophobicContact SD-CG2 3.71Å; M168-V425 HydrophobicContact CG-CG2 4.34Å; M168-V425 HydrophobicContact SD-CB 4.44Å; M168-V425 HydrophobicContact SD-CG2 3.84Å
169	S	98.9	Very high	98.8	Very high	52 Å²	52	43.7 Å²	43.7	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-70.9	-41.1	176.8	-54.1	0	0	0	0	111	H166 P167 F171 A173	H166-S169 WeakPolarHBondContact O-CA 3.43Å; H166-S169 WeakPolarHBondContact O-CB 3.15Å; H166-S169 PolarHBondContact O-N 3.44Å; P167-S169 VanDerWaalsContact C-N 3.31Å; P167-S169 PolarHBondContact O-N 3.23Å; S169-F171 VanDerWaalsContact C-N 3.28Å; S169-F171 PolarHBondContact O-N 3.48Å; S169-A173 VanDerWaalsContact O-CB 3.29Å; S169-A173 WeakPolarHBondContact O-CB 3.46Å; S169-A173 PolarHBondContact O-N 2.92Å
170	Q	98.9	Very high	98.8	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-42.1	172.1	-60.2	-169.5	28.6	0	0	111.2	F161 L165 H166 P167 A174 I219	F161-Q170 HydrophobicContact CB-CG 4.09Å; F161-Q170 HydrophobicContact CD2-CB 3.72Å; F161-Q170 HydrophobicContact CD2-CG 3.65Å; F161-Q170 HydrophobicContact CE2-CB 3.92Å; F161-Q170 HydrophobicContact CE2-CG 4.25Å; F161-Q170 HydrophobicContact CG-CB 4.49Å; F161-Q170 HydrophobicContact CG-CG 3.94Å; L165-Q170 HydrophobicContact CB-CG 4.2Å; L165-Q170 HydrophobicContact CD2-CG 3.76Å; L165-Q170 HydrophobicContact CG-CG 3.76Å; L165-Q170 PolarHBondContact O-NE2 2.65Å; H166-Q170 PolarHBondContact O-N 3.37Å; H166-Q170 VanDerWaalsContact O-N 3.08Å; P167-Q170 PolarHBondContact O-N 3.28Å; Q170-A174 WeakPolarHBondContact O-CB 3.28Å; Q170-A174 PolarHBondContact O-N 2.88Å; Q170-I219 HydrophobicContact CB-CD1 3.84Å; Q170-I219 HydrophobicContact CB-CG1 3.98Å; Q170-I219 HydrophobicContact CB-CG2 4.37Å
171	F	98.9	Very high	98.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-52.3	179.8	-168.4	-130.1	0	0	0	112	P167 M168 S169 A173 A174 I175 L212 I215 A216 I219 F292 M296 V425 V429	P167-F171 WeakPolarHBondContact O-CB 3.19Å; P167-F171 PolarHBondContact O-N 2.96Å; M168-F171 PolarHBondContact O-N 3.31Å; M168-F171 HydrophobicContact SD-CD1 4.45Å; S169-F171 VanDerWaalsContact C-N 3.28Å; S169-F171 PolarHBondContact O-N 3.48Å; F171-A173 PolarHBondContact O-N 3.06Å; F171-A174 PolarHBondContact O-N 3.06Å; F171-I175 HydrophobicContact CD1-CD1 3.8Å; F171-I175 HydrophobicContact CD2-CD1 4.02Å; F171-I175 HydrophobicContact CE1-CD1 3.78Å; F171-I175 HydrophobicContact CE2-CD1 3.99Å; F171-I175 HydrophobicContact CG-CD1 3.93Å; F171-I175 HydrophobicContact CZ-CD1 3.89Å; F171-I175 VanDerWaalsContact O-CD1 3.3Å; F171-I175 WeakPolarHBondContact O-CD1 3.49Å; F171-I175 VanDerWaalsContact O-CG1 3.23Å; F171-I175 WeakPolarHBondContact O-CG1 3.44Å; F171-I175 PolarHBondContact O-N 3.22Å; F171-L212 HydrophobicContact CE2-CD2 3.87Å; F171-L212 HydrophobicContact CZ-CD2 3.64Å; F171-I215 HydrophobicContact CD2-CB 4.38Å; F171-I215 HydrophobicContact CD2-CG2 3.71Å; F171-I215 HydrophobicContact CE2-CB 4.3Å; F171-I215 HydrophobicContact CE2-CG2 4.12Å; F171-A216 HydrophobicContact CE2-CB 4.1Å; F171-I219 VanDerWaalsContact CA-CD1 3.47Å; F171-I219 HydrophobicContact CB-CD1 3.71Å; F171-I219 HydrophobicContact CD2-CD1 3.98Å; F171-I219 HydrophobicContact CG-CD1 4.33Å; F171-F292 HydrophobicContact CE1-CE1 4.25Å; F171-F292 HydrophobicContact CZ-CE1 4.44Å; F171-M296 HydrophobicContact CD1-CG 3.9Å; F171-M296 HydrophobicContact CD1-SD 3.94Å; F171-M296 HydrophobicContact CE1-CG 4.01Å; F171-M296 HydrophobicContact CE1-SD 3.66Å; F171-V425 HydrophobicContact CD1-CG1 4.31Å; F171-V425 HydrophobicContact CD2-CG1 4.17Å; F171-V425 HydrophobicContact CE1-CG1 4.42Å; F171-V425 HydrophobicContact CE2-CG1 4.3Å; F171-V425 HydrophobicContact CG-CG1 4.17Å; F171-V425 HydrophobicContact CZ-CG1 4.39Å; F171-V429 HydrophobicContact CE2-CG2 4.31Å; F171-V429 HydrophobicContact CZ-CG2 3.75Å
172	S	98.9	Very high	98.8	Very high	8 Å²	8	40 Å²	40	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-47	175.7	166.3	0	0	0	0	112	M168 A174 I175 T176 S293 N297	M168-S172 PolarHBondContact O-N 3.28Å; S172-A174 PolarHBondContact O-N 3.07Å; S172-I175 PolarHBondContact O-N 3.46Å; S172-T176 PolarHBondContact O-N 2.95Å; S172-T176 PolarHBondContact O-OG1 3.03Å; S172-S293 PolarHBondContact O-OG 2.68Å; S172-S293 PolarHBondContact OG-O 3.2Å; S172-S293 PolarHBondContact OG-OG 2.89Å; S172-N297 WeakPolarHBondContact CB-OD1 3.23Å; S172-N297 PolarHBondContact OG-ND2 2.92Å; S172-N297 PolarHBondContact OG-OD1 2.88Å
173	A	98.9	Very high	98.8	Very high	35 Å²	35	37.7 Å²	37.7	29%	0.289	22%	0.224	S	C	.	.	H	α-helix	trans	-60.5	-44.8	179.9	0	0	0	0	0	112.3	F161 S169 F171 T176 A177	F161-A173 HydrophobicContact CE1-CB 4.47Å; F161-A173 HydrophobicContact CE2-CB 4.46Å; F161-A173 HydrophobicContact CZ-CB 3.7Å; S169-A173 VanDerWaalsContact O-CB 3.29Å; S169-A173 WeakPolarHBondContact O-CB 3.46Å; S169-A173 PolarHBondContact O-N 2.92Å; F171-A173 PolarHBondContact O-N 3.06Å; A173-T176 PolarHBondContact O-N 3.5Å; A173-A177 PolarHBondContact O-N 3.37Å
174	A	98.9	Very high	98.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-42.2	176	0	0	0	0	0	113	V154 M157 L158 Q170 F171 S172 A177 L178 I215	V154-A174 HydrophobicContact CG1-CB 4.27Å; M157-A174 HydrophobicContact CE-CB 4.1Å; L158-A174 HydrophobicContact CD1-CB 4.24Å; L158-A174 HydrophobicContact CD2-CB 3.79Å; L158-A174 HydrophobicContact CG-CB 4.08Å; Q170-A174 WeakPolarHBondContact O-CB 3.28Å; Q170-A174 PolarHBondContact O-N 2.88Å; F171-A174 PolarHBondContact O-N 3.06Å; S172-A174 PolarHBondContact O-N 3.07Å; A174-A177 PolarHBondContact O-N 3.46Å; A174-L178 PolarHBondContact O-N 3.47Å; A174-I215 HydrophobicContact CB-CG2 3.57Å
175	I	98.9	Very high	98.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.4	-41.4	175.8	-65.7	157.9	0	0	0	110.6	F171 S172 A177 L178 L208 L212 I215 Y289 F292 M296	F171-I175 HydrophobicContact CD1-CD1 3.8Å; F171-I175 HydrophobicContact CD2-CD1 4.02Å; F171-I175 HydrophobicContact CE1-CD1 3.78Å; F171-I175 HydrophobicContact CE2-CD1 3.99Å; F171-I175 HydrophobicContact CG-CD1 3.93Å; F171-I175 HydrophobicContact CZ-CD1 3.89Å; F171-I175 VanDerWaalsContact O-CD1 3.3Å; F171-I175 WeakPolarHBondContact O-CD1 3.49Å; F171-I175 VanDerWaalsContact O-CG1 3.23Å; F171-I175 WeakPolarHBondContact O-CG1 3.44Å; F171-I175 PolarHBondContact O-N 3.22Å; S172-I175 PolarHBondContact O-N 3.46Å; I175-A177 VanDerWaalsContact C-N 3.35Å; I175-A177 PolarHBondContact O-N 2.71Å; I175-L178 WeakPolarHBondContact O-CB 3.33Å; I175-L178 PolarHBondContact O-N 3.31Å; I175-L208 HydrophobicContact CG2-CD1 4.13Å; I175-L212 HydrophobicContact CD1-CD2 3.82Å; I175-L212 HydrophobicContact CG1-CD2 3.88Å; I175-I215 HydrophobicContact CG1-CD1 4.11Å; I175-Y289 VanDerWaalsContact CG2-O 3.31Å; I175-Y289 WeakPolarHBondContact CG2-O 3.25Å; I175-F292 HydrophobicContact CD1-CD1 3.73Å; I175-F292 HydrophobicContact CD1-CE1 3.65Å; I175-F292 HydrophobicContact CG1-CD1 4.45Å; I175-F292 HydrophobicContact CG2-CD1 4.07Å; I175-M296 HydrophobicContact CD1-CG 4.02Å
176	T	98.9	Very high	98.9	Very high	62 Å²	62	31.1 Å²	31.1	38%	0.38	18%	0.18	S	C	.	.	H	α-helix	trans	-61.1	-43.5	174.3	-66.3	0	0	0	0	111.5	S172 A173 L178 N179 L290 S293	S172-T176 PolarHBondContact O-N 2.95Å; S172-T176 PolarHBondContact O-OG1 3.03Å; A173-T176 PolarHBondContact O-N 3.5Å; T176-L178 PolarHBondContact O-N 3.29Å; T176-N179 WeakPolarHBondContact O-CB 3.35Å; T176-N179 PolarHBondContact O-N 3.22Å; T176-N179 VanDerWaalsContact O-N 3.12Å; T176-L290 HydrophobicContact CG2-CD2 4.18Å; T176-S293 VanDerWaalsContact OG1-CB 3.25Å; T176-S293 WeakPolarHBondContact OG1-CB 3.46Å; T176-S293 PolarHBondContact OG1-OG 2.91Å
177	A	98.9	Very high	98.9	Very high	25 Å²	25	28.2 Å²	28.2	21%	0.207	17%	0.166	C	C	.	.	H	α-helix	trans	-66.9	-24.8	178.6	0	0	0	0	0	113.5	H153 V154 M157 A173 A174 I175 N179 S180	H153-A177 PolarHBondContact NE2-O 2.85Å; H153-A177 VanDerWaalsContact NE2-O 3.14Å; V154-A177 HydrophobicContact CG2-CB 4.04Å; M157-A177 HydrophobicContact CE-CB 3.44Å; M157-A177 VanDerWaalsContact CE-CB 3.44Å; M157-A177 HydrophobicContact SD-CB 4.1Å; A173-A177 PolarHBondContact O-N 3.37Å; A174-A177 PolarHBondContact O-N 3.46Å; I175-A177 VanDerWaalsContact C-N 3.35Å; I175-A177 PolarHBondContact O-N 2.71Å; A177-N179 PolarHBondContact O-N 3.35Å; A177-S180 PolarHBondContact O-OG 2.86Å
178	L	98.8	Very high	98.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-71.1	-12.6	173	-81.9	177	0	0	0	114.1	L150 P151 V154 A174 I175 T176 S180 E181 K211 I215 Y289	L150-L178 HydrophobicContact CD2-CD1 4.19Å; L150-L178 HydrophobicContact CD2-CD2 4.2Å; P151-L178 VanDerWaalsContact CD-CD2 3.44Å; P151-L178 HydrophobicContact CG-CD2 3.83Å; V154-L178 HydrophobicContact CB-CD2 4.41Å; V154-L178 HydrophobicContact CG1-CD2 4.41Å; V154-L178 HydrophobicContact CG1-CG 4.27Å; V154-L178 HydrophobicContact CG2-CD2 3.81Å; V154-L178 HydrophobicContact CG2-CG 3.94Å; A174-L178 PolarHBondContact O-N 3.47Å; I175-L178 WeakPolarHBondContact O-CB 3.33Å; I175-L178 PolarHBondContact O-N 3.31Å; T176-L178 PolarHBondContact O-N 3.29Å; L178-S180 PolarHBondContact O-N 3.19Å; L178-E181 HydrophobicContact CD2-CG 4.39Å; L178-E181 WeakPolarHBondContact O-CB 3.39Å; L178-E181 PolarHBondContact O-N 3.11Å; L178-K211 HydrophobicContact CD1-CB 4.23Å; L178-K211 HydrophobicContact CD1-CD 4.23Å; L178-K211 HydrophobicContact CD2-CD 4.19Å; L178-I215 HydrophobicContact CD1-CD1 3.28Å; L178-I215 HydrophobicContact CD1-CG1 4.21Å; L178-I215 HydrophobicContact CG-CD1 4.43Å; L178-Y289 HydrophobicContact CB-CD1 3.58Å; L178-Y289 HydrophobicContact CB-CE1 3.76Å; L178-Y289 HydrophobicContact CD1-CE1 4.37Å
179	N	98.8	Very high	98.8	Very high	45 Å²	45	38 Å²	38	24%	0.241	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-56	-22.2	173.1	169.9	-100.1	0	0	0	113	T176 A177 E181 S182 D287 L290	T176-N179 WeakPolarHBondContact O-CB 3.35Å; T176-N179 PolarHBondContact O-N 3.22Å; T176-N179 VanDerWaalsContact O-N 3.12Å; A177-N179 PolarHBondContact O-N 3.35Å; N179-E181 PolarHBondContact O-N 2.96Å; N179-S182 VanDerWaalsContact O-CB 3.25Å; N179-S182 WeakPolarHBondContact O-CB 3.26Å; N179-S182 PolarHBondContact O-N 3.03Å; N179-D287 PolarHBondContact ND2-OD1 2.9Å; N179-D287 PolarHBondContact ND2-OD2 3.3Å; N179-L290 HydrophobicContact CB-CD2 3.91Å; N179-L290 HydrophobicContact CB-CG 4.25Å
180	S	98.8	Very high	98.8	Very high	73 Å²	73	41.9 Å²	41.9	51%	0.51	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-52.7	-26.7	171.7	66.6	0	0	0	0	113.4	H153 A177 L178	H153-S180 PolarHBondContact CE1-OG 3.38Å; H153-S180 PolarHBondContact NE2-OG 3.45Å; A177-S180 PolarHBondContact O-OG 2.86Å; L178-S180 PolarHBondContact O-N 3.19Å
181	E	98.8	Very high	98.8	Very high	85 Å²	85	44.8 Å²	44.8	40%	0.397	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-92.3	1.2	-178.9	-49	-62.2	95	0	0	112.9	P151 L178 N179 S183	P151-E181 HydrophobicContact CG-CG 4.14Å; L178-E181 HydrophobicContact CD2-CG 4.39Å; L178-E181 WeakPolarHBondContact O-CB 3.39Å; L178-E181 PolarHBondContact O-N 3.11Å; N179-E181 PolarHBondContact O-N 2.96Å; E181-S183 PolarHBondContact O-N 3.08Å; E181-S183 VanDerWaalsContact O-N 3.15Å
182	S	98.9	Very high	98.8	Very high	8 Å²	8	46.3 Å²	46.3	6%	0.056	27%	0.272	C	S	.	.			trans	-67.7	113.9	-173.4	175.1	0	0	0	0	112.1	N179 F184 A185 R186 D204 D287	N179-S182 VanDerWaalsContact O-CB 3.25Å; N179-S182 WeakPolarHBondContact O-CB 3.26Å; N179-S182 PolarHBondContact O-N 3.03Å; S182-F184 PolarHBondContact OG-N 3.15Å; S182-A185 WeakPolarHBondContact OG-CB 3.29Å; S182-A185 PolarHBondContact OG-N 3.2Å; S182-R186 PolarHBondContact O-N 2.96Å; S182-D204 WeakPolarHBondContact CA-OD2 3.46Å; S182-D204 WeakPolarHBondContact CB-OD2 3.46Å; S182-D204 PolarHBondContact OG-OD2 2.88Å; S182-D287 WeakPolarHBondContact OG-CB 3.49Å
183	S	98.7	Very high	98.7	Very high	20 Å²	20	52.1 Å²	52.1	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-71.3	-32.5	173.2	72.1	0	0	0	0	111.8	E181 A187 D204	E181-S183 PolarHBondContact O-N 3.08Å; E181-S183 VanDerWaalsContact O-N 3.15Å; S183-A187 VanDerWaalsContact O-CB 3.25Å; S183-A187 WeakPolarHBondContact O-CB 3.35Å; S183-A187 PolarHBondContact O-N 2.9Å; S183-D204 WeakPolarHBondContact CB-OD1 3.45Å; S183-D204 PolarHBondContact N-OD1 3.33Å; S183-D204 PolarHBondContact N-OD2 3.39Å; S183-D204 PolarHBondContact OG-OD1 2.93Å
184	F	98.9	Very high	98.7	Very high	1 Å²	1	56 Å²	56	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-68.8	-44.5	177.1	177.9	-114.2	0	0	0	112.2	S182 R186 A187 Y188 Y197 F200 V201 D204 L285 D287	S182-F184 PolarHBondContact OG-N 3.15Å; F184-R186 VanDerWaalsContact C-N 3.29Å; F184-R186 PolarHBondContact O-N 3.3Å; F184-A187 PolarHBondContact O-N 3.16Å; F184-Y188 HydrophobicContact CZ-CD2 4.35Å; F184-Y188 VanDerWaalsContact O-CB 3.26Å; F184-Y188 WeakPolarHBondContact O-CB 3.18Å; F184-Y188 PolarHBondContact O-N 3.24Å; F184-Y197 AromaticContact CE2-CD1 3.87Å; F184-Y197 HydrophobicContact CE2-CD1 3.87Å; F184-Y197 HydrophobicContact CE2-CD2 4.47Å; F184-Y197 AromaticContact CE2-CG 3.8Å; F184-Y197 HydrophobicContact CE2-CG 3.8Å; F184-Y197 HydrophobicContact CZ-CG 4.3Å; F184-F200 HydrophobicContact CB-CB 3.85Å; F184-F200 HydrophobicContact CD2-CB 3.96Å; F184-F200 HydrophobicContact CG-CB 4.4Å; F184-V201 HydrophobicContact CB-CG2 4.26Å; F184-V201 HydrophobicContact CD1-CG2 3.94Å; F184-V201 HydrophobicContact CD2-CG2 3.72Å; F184-V201 HydrophobicContact CE1-CG2 4.17Å; F184-V201 HydrophobicContact CE2-CG2 3.99Å; F184-V201 HydrophobicContact CG-CG2 3.69Å; F184-V201 HydrophobicContact CZ-CG2 4.21Å; F184-D204 WeakPolarHBondContact CB-OD2 3.47Å; F184-D204 PolarHBondContact N-OD2 2.71Å; F184-D204 VanDerWaalsContact N-OD2 3.07Å; F184-L285 HydrophobicContact CE1-CB 4.46Å; F184-L285 WeakPolarHBondContact CE1-O 3.29Å; F184-L285 HydrophobicContact CZ-CB 4.41Å; F184-D287 HydrophobicContact CB-CB 4.41Å; F184-D287 HydrophobicContact CD1-CB 3.93Å
185	A	98.8	Very high	98.6	Very high	34 Å²	34	59 Å²	59	28%	0.281	33%	0.329	S	S	.	.	H	α-helix	trans	-58.7	-43	177.6	0	0	0	0	0	111.5	S182 S189	S182-A185 WeakPolarHBondContact OG-CB 3.29Å; S182-A185 PolarHBondContact OG-N 3.2Å; A185-S189 PolarHBondContact O-N 3.02Å; A185-S189 PolarHBondContact O-OG 2.96Å
186	R	98.8	Very high	98.6	Very high	134 Å²	134	63.4 Å²	63.4	51%	0.506	35%	0.348	S	S	.	.	H	α-helix	trans	-64.8	-52.9	174.7	-178.2	173.5	55.1	72.3	2.2	112.1	S182 F184 Y188 S189 E190	S182-R186 PolarHBondContact O-N 2.96Å; F184-R186 VanDerWaalsContact C-N 3.29Å; F184-R186 PolarHBondContact O-N 3.3Å; R186-Y188 VanDerWaalsContact C-N 3.29Å; R186-Y188 PolarHBondContact O-N 2.88Å; R186-S189 WeakPolarHBondContact O-CB 3.33Å; R186-S189 PolarHBondContact O-N 2.98Å; R186-S189 VanDerWaalsContact O-N 3.11Å; R186-E190 WeakPolarHBondContact CG-OE1 3.29Å; R186-E190 IonicContact NH1-OE1 3.48Å; R186-E190 PolarHBondContact NH1-OE1 3.37Å; R186-E190 IonicContact NH1-OE2 2.79Å; R186-E190 WeakPolarHBondContact O-CG 3.46Å; R186-E190 PolarHBondContact O-N 3.07Å
187	A	98.8	Very high	98.6	Very high	3 Å²	3	62 Å²	62	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-36.3	-178.4	0	0	0	0	0	112.8	S183 F184 E190 G191 V192 F200	S183-A187 VanDerWaalsContact O-CB 3.25Å; S183-A187 WeakPolarHBondContact O-CB 3.35Å; S183-A187 PolarHBondContact O-N 2.9Å; F184-A187 PolarHBondContact O-N 3.16Å; A187-E190 PolarHBondContact O-N 2.7Å; A187-G191 PolarHBondContact O-N 3.14Å; A187-V192 HydrophobicContact CB-CB 4.22Å; A187-V192 HydrophobicContact CB-CG1 4.02Å; A187-V192 VanDerWaalsContact O-CB 3.31Å; A187-V192 WeakPolarHBondContact O-CB 3.26Å; A187-V192 VanDerWaalsContact O-CG1 3.24Å; A187-V192 WeakPolarHBondContact O-CG1 3.42Å; A187-V192 PolarHBondContact O-N 3.34Å; A187-F200 HydrophobicContact CB-CD1 3.58Å; A187-F200 HydrophobicContact CB-CD2 4.07Å; A187-F200 HydrophobicContact CB-CE1 3.56Å; A187-F200 HydrophobicContact CB-CE2 4.08Å; A187-F200 HydrophobicContact CB-CG 3.84Å; A187-F200 HydrophobicContact CB-CZ 3.81Å
188	Y	98.6	Very high	98.6	Very high	107 Å²	107	61.6 Å²	61.6	42%	0.42	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-45	174.4	-174	-91.4	0	0	0	111.6	F184 R186 E190 G191 Y197 L285	F184-Y188 HydrophobicContact CZ-CD2 4.35Å; F184-Y188 VanDerWaalsContact O-CB 3.26Å; F184-Y188 WeakPolarHBondContact O-CB 3.18Å; F184-Y188 PolarHBondContact O-N 3.24Å; R186-Y188 VanDerWaalsContact C-N 3.29Å; R186-Y188 PolarHBondContact O-N 2.88Å; Y188-E190 VanDerWaalsContact C-N 3.26Å; Y188-E190 PolarHBondContact O-N 3.43Å; Y188-G191 PolarHBondContact O-N 3.24Å; Y188-Y197 AromaticContact CD2-CE1 3.91Å; Y188-Y197 HydrophobicContact CD2-CE1 3.91Å; Y188-Y197 HydrophobicContact CD2-CE2 4.48Å; Y188-Y197 AromaticContact CD2-CZ 3.8Å; Y188-Y197 HydrophobicContact CE2-CE1 4.29Å; Y188-Y197 HydrophobicContact CE2-CE2 4.26Å; Y188-Y197 AromaticContact CE2-CZ 3.71Å; Y188-Y197 WeakPolarHBondContact CE2-OH 3.43Å; Y188-L285 HydrophobicContact CD2-CD1 4.43Å; Y188-L285 HydrophobicContact CE2-CD1 3.54Å
189	S	98.4	Very high	98.6	Very high	104 Å²	104	63.8 Å²	63.8	73%	0.727	34%	0.34	S	S	*	.	H	α-helix	trans	-64.1	-32.2	177.4	-57.3	0	0	0	0	112.6	A185 R186 G191	A185-S189 PolarHBondContact O-N 3.02Å; A185-S189 PolarHBondContact O-OG 2.96Å; R186-S189 WeakPolarHBondContact O-CB 3.33Å; R186-S189 PolarHBondContact O-N 2.98Å; R186-S189 VanDerWaalsContact O-N 3.11Å; S189-G191 VanDerWaalsContact C-N 3.25Å; S189-G191 PolarHBondContact O-N 2.66Å
190	E	98.6	Very high	98.6	Very high	134 Å²	134	64.3 Å²	64.3	63%	0.626	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.7	174.4	-68.2	169.1	-172.8	0	0	113.4	R186 A187 Y188	R186-E190 WeakPolarHBondContact CG-OE1 3.29Å; R186-E190 IonicContact NH1-OE1 3.48Å; R186-E190 PolarHBondContact NH1-OE1 3.37Å; R186-E190 IonicContact NH1-OE2 2.79Å; R186-E190 WeakPolarHBondContact O-CG 3.46Å; R186-E190 PolarHBondContact O-N 3.07Å; A187-E190 PolarHBondContact O-N 2.7Å; Y188-E190 VanDerWaalsContact C-N 3.26Å; Y188-E190 PolarHBondContact O-N 3.43Å
191	G	98.3	Very high	98.6	Very high	63 Å²	63	61 Å²	61	65%	0.649	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	29.5	173.5	0	0	0	0	0	115.4	A187 Y188 S189	A187-G191 PolarHBondContact O-N 3.14Å; Y188-G191 PolarHBondContact O-N 3.24Å; S189-G191 VanDerWaalsContact C-N 3.25Å; S189-G191 PolarHBondContact O-N 2.66Å
192	V	98.5	Very high	98.6	Very high	32 Å²	32	57 Å²	57	19%	0.194	30%	0.298	C	S	.	.			trans	-55.2	142.7	176	70.2	0	0	0	0	112.3	A187 K196 Y197 F200	A187-V192 HydrophobicContact CB-CB 4.22Å; A187-V192 HydrophobicContact CB-CG1 4.02Å; A187-V192 VanDerWaalsContact O-CB 3.31Å; A187-V192 WeakPolarHBondContact O-CB 3.26Å; A187-V192 VanDerWaalsContact O-CG1 3.24Å; A187-V192 WeakPolarHBondContact O-CG1 3.42Å; A187-V192 PolarHBondContact O-N 3.34Å; V192-K196 HydrophobicContact CG2-CB 3.91Å; V192-Y197 HydrophobicContact CG1-CD1 3.75Å; V192-Y197 HydrophobicContact CG1-CE1 3.66Å; V192-Y197 VanDerWaalsContact O-CE1 3.3Å; V192-Y197 WeakPolarHBondContact O-CE1 3.33Å; V192-F200 HydrophobicContact CG2-CD2 4.27Å; V192-F200 HydrophobicContact CG2-CE2 3.66Å; V192-F200 HydrophobicContact CG2-CZ 4.41Å
193	H	98.6	Very high	98.6	Very high	130 Å²	130	58.7 Å²	58.7	60%	0.602	31%	0.305	S	S	*	.			trans	-68.2	142.1	-179.6	-172.3	-96.8	0	0	0	112.4	S195 K196	H193-S195 VanDerWaalsContact C-N 3.27Å; H193-S195 PolarHBondContact CE1-OG 3Å; H193-S195 PolarHBondContact ND1-N 3.32Å; H193-S195 PolarHBondContact ND1-OG 3.38Å; H193-S195 PolarHBondContact O-N 2.84Å; H193-S195 VanDerWaalsContact O-N 3.12Å; H193-K196 WeakPolarHBondContact O-CB 3.34Å; H193-K196 PolarHBondContact O-N 2.83Å
194	K	98	Very high	98.7	Very high	116 Å²	116	57.8 Å²	57.8	50%	0.504	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-52.5	-37.9	-176.9	-179.1	175	179.5	179.4	0	114.6	K196 Y197	K194-K196 PolarHBondContact O-N 3.23Å; K194-K196 VanDerWaalsContact O-N 3.14Å; K194-Y197 HydrophobicContact CB-CD2 4.37Å; K194-Y197 HydrophobicContact CB-CE2 3.92Å; K194-Y197 HydrophobicContact CG-CD2 3.97Å; K194-Y197 HydrophobicContact CG-CE2 3.73Å; K194-Y197 PolarHBondContact O-N 3.32Å
195	S	98	Very high	98.7	Very high	64 Å²	64	57.7 Å²	57.7	45%	0.448	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-66.2	-12.4	178.9	64.5	0	0	0	0	114.1	H193 W198	H193-S195 VanDerWaalsContact C-N 3.27Å; H193-S195 PolarHBondContact CE1-OG 3Å; H193-S195 PolarHBondContact ND1-N 3.32Å; H193-S195 PolarHBondContact ND1-OG 3.38Å; H193-S195 PolarHBondContact O-N 2.84Å; H193-S195 VanDerWaalsContact O-N 3.12Å; S195-W198 VanDerWaalsContact O-CD1 3.24Å; S195-W198 PolarHBondContact O-NE1 3.24Å
196	K	98.5	Very high	98.7	Very high	92 Å²	92	56.1 Å²	56.1	40%	0.4	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-105.8	-3.4	-178.1	-61.2	-64.5	-169.9	176.3	0	113.3	V192 H193 K194 W198 E199	V192-K196 HydrophobicContact CG2-CB 3.91Å; H193-K196 WeakPolarHBondContact O-CB 3.34Å; H193-K196 PolarHBondContact O-N 2.83Å; K194-K196 PolarHBondContact O-N 3.23Å; K194-K196 VanDerWaalsContact O-N 3.14Å; K196-W198 PolarHBondContact O-N 3.38Å; K196-E199 VanDerWaalsContact CD-CD 3.48Å; K196-E199 HydrophobicContact CD-CG 4.49Å; K196-E199 WeakPolarHBondContact CD-OE1 3.25Å; K196-E199 WeakPolarHBondContact CE-OE1 3.41Å; K196-E199 IonicContact NZ-OE1 3.48Å; K196-E199 PolarHBondContact NZ-OE1 3.42Å; K196-E199 WeakPolarHBondContact O-CB 3.2Å; K196-E199 PolarHBondContact O-N 3.39Å
197	Y	98.9	Very high	98.7	Very high	31 Å²	31	51.3 Å²	51.3	12%	0.122	27%	0.269	C	S	.	.	H	α-helix	trans	-53.9	-40.5	179.5	-69.8	-10.1	0	0	0	113.1	F184 Y188 V192 K194 E199 F200 V201 L285	F184-Y197 AromaticContact CE2-CD1 3.87Å; F184-Y197 HydrophobicContact CE2-CD1 3.87Å; F184-Y197 HydrophobicContact CE2-CD2 4.47Å; F184-Y197 AromaticContact CE2-CG 3.8Å; F184-Y197 HydrophobicContact CE2-CG 3.8Å; F184-Y197 HydrophobicContact CZ-CG 4.3Å; Y188-Y197 AromaticContact CD2-CE1 3.91Å; Y188-Y197 HydrophobicContact CD2-CE1 3.91Å; Y188-Y197 HydrophobicContact CD2-CE2 4.48Å; Y188-Y197 AromaticContact CD2-CZ 3.8Å; Y188-Y197 HydrophobicContact CE2-CE1 4.29Å; Y188-Y197 HydrophobicContact CE2-CE2 4.26Å; Y188-Y197 AromaticContact CE2-CZ 3.71Å; Y188-Y197 WeakPolarHBondContact CE2-OH 3.43Å; V192-Y197 HydrophobicContact CG1-CD1 3.75Å; V192-Y197 HydrophobicContact CG1-CE1 3.66Å; V192-Y197 VanDerWaalsContact O-CE1 3.3Å; V192-Y197 WeakPolarHBondContact O-CE1 3.33Å; K194-Y197 HydrophobicContact CB-CD2 4.37Å; K194-Y197 HydrophobicContact CB-CE2 3.92Å; K194-Y197 HydrophobicContact CG-CD2 3.97Å; K194-Y197 HydrophobicContact CG-CE2 3.73Å; K194-Y197 PolarHBondContact O-N 3.32Å; Y197-E199 PolarHBondContact O-N 3.37Å; Y197-F200 PolarHBondContact O-N 3.16Å; Y197-V201 WeakPolarHBondContact O-CG2 3.26Å; Y197-V201 PolarHBondContact O-N 3.17Å; Y197-V201 VanDerWaalsContact O-N 3.07Å; Y197-L285 HydrophobicContact CD2-CD2 4.25Å; Y197-L285 HydrophobicContact CE2-CD1 3.98Å; Y197-L285 HydrophobicContact CE2-CD2 4.31Å
198	W	98.8	Very high	98.7	Very high	17 Å²	17	51.1 Å²	51.1	6%	0.064	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-28.2	-179.5	75.9	-92	0	0	0	113.1	K37 L40 A41 I44 S195 K196 Y202 V440 R443 A444	K37-W198 HydrophobicContact CG-CH2 4.16Å; K37-W198 HydrophobicContact CG-CZ3 4.06Å; L40-W198 HydrophobicContact CB-CH2 4.25Å; L40-W198 HydrophobicContact CB-CZ3 3.89Å; L40-W198 HydrophobicContact CD1-CZ3 4.17Å; A41-W198 HydrophobicContact CB-CH2 3.98Å; A41-W198 HydrophobicContact CB-CZ2 4.15Å; I44-W198 HydrophobicContact CD1-CD2 3.38Å; I44-W198 VanDerWaalsContact CD1-CE2 3.47Å; I44-W198 HydrophobicContact CD1-CE3 3.58Å; I44-W198 HydrophobicContact CD1-CG 3.94Å; I44-W198 HydrophobicContact CD1-CH2 3.93Å; I44-W198 HydrophobicContact CD1-CZ2 3.76Å; I44-W198 HydrophobicContact CD1-CZ3 3.85Å; S195-W198 VanDerWaalsContact O-CD1 3.24Å; S195-W198 PolarHBondContact O-NE1 3.24Å; K196-W198 PolarHBondContact O-N 3.38Å; W198-Y202 WeakPolarHBondContact O-CB 3.18Å; W198-Y202 PolarHBondContact O-N 3.49Å; W198-V440 HydrophobicContact CE3-CG1 4.49Å; W198-R443 HydrophobicContact CB-CB 4.17Å; W198-A444 HydrophobicContact CB-CB 3.74Å; W198-A444 HydrophobicContact CG-CB 4Å
199	E	98.9	Very high	98.7	Very high	46 Å²	46	46 Å²	46	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-68.1	-37.9	-177.4	-64.6	179.6	-171.4	0	0	111.6	K37 K196 Y197 E203	K37-E199 PolarHBondContact NZ-O 3.09Å; K37-E199 VanDerWaalsContact NZ-O 3.16Å; K196-E199 VanDerWaalsContact CD-CD 3.48Å; K196-E199 HydrophobicContact CD-CG 4.49Å; K196-E199 WeakPolarHBondContact CD-OE1 3.25Å; K196-E199 WeakPolarHBondContact CE-OE1 3.41Å; K196-E199 IonicContact NZ-OE1 3.48Å; K196-E199 PolarHBondContact NZ-OE1 3.42Å; K196-E199 WeakPolarHBondContact O-CB 3.2Å; K196-E199 PolarHBondContact O-N 3.39Å; Y197-E199 PolarHBondContact O-N 3.37Å; E199-E203 WeakPolarHBondContact O-CG 3.34Å; E199-E203 PolarHBondContact O-N 3.08Å
200	F	98.9	Very high	98.7	Very high	57 Å²	57	41.2 Å²	41.2	25%	0.25	21%	0.214	C	C	.	.	H	α-helix	trans	-84	-35.9	178.2	-64.4	-89.5	0	0	0	111.7	F184 A187 V192 Y197 Y202 E203 D204	F184-F200 HydrophobicContact CB-CB 3.85Å; F184-F200 HydrophobicContact CD2-CB 3.96Å; F184-F200 HydrophobicContact CG-CB 4.4Å; A187-F200 HydrophobicContact CB-CD1 3.58Å; A187-F200 HydrophobicContact CB-CD2 4.07Å; A187-F200 HydrophobicContact CB-CE1 3.56Å; A187-F200 HydrophobicContact CB-CE2 4.08Å; A187-F200 HydrophobicContact CB-CG 3.84Å; A187-F200 HydrophobicContact CB-CZ 3.81Å; V192-F200 HydrophobicContact CG2-CD2 4.27Å; V192-F200 HydrophobicContact CG2-CE2 3.66Å; V192-F200 HydrophobicContact CG2-CZ 4.41Å; Y197-F200 PolarHBondContact O-N 3.16Å; F200-Y202 PolarHBondContact O-N 3.21Å; F200-E203 PolarHBondContact O-N 2.85Å; F200-D204 PolarHBondContact O-N 3.01Å
201	V	98.9	Very high	98.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-33.6	171.4	168.8	0	0	0	0	111.1	F184 Y197 S205 P288 L439 V440 R443	F184-V201 HydrophobicContact CB-CG2 4.26Å; F184-V201 HydrophobicContact CD1-CG2 3.94Å; F184-V201 HydrophobicContact CD2-CG2 3.72Å; F184-V201 HydrophobicContact CE1-CG2 4.17Å; F184-V201 HydrophobicContact CE2-CG2 3.99Å; F184-V201 HydrophobicContact CG-CG2 3.69Å; F184-V201 HydrophobicContact CZ-CG2 4.21Å; Y197-V201 WeakPolarHBondContact O-CG2 3.26Å; Y197-V201 PolarHBondContact O-N 3.17Å; Y197-V201 VanDerWaalsContact O-N 3.07Å; V201-S205 WeakPolarHBondContact O-CB 3.18Å; V201-S205 PolarHBondContact O-N 2.88Å; V201-S205 PolarHBondContact O-OG 2.88Å; V201-P288 HydrophobicContact CB-CG 4.48Å; V201-P288 HydrophobicContact CG1-CG 3.98Å; V201-L439 HydrophobicContact CG1-CD2 4.45Å; V201-L439 HydrophobicContact CG1-CG 4.04Å; V201-V440 HydrophobicContact CG1-CG2 4.12Å; V201-R443 HydrophobicContact CB-CG 4.19Å; V201-R443 HydrophobicContact CG1-CG 4.05Å; V201-R443 HydrophobicContact CG2-CB 4.39Å; V201-R443 HydrophobicContact CG2-CG 3.71Å
202	Y	98.9	Very high	98.8	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-49.8	170.7	167.9	-89.9	0	0	0	111.9	L36 K37 L40 W198 F200 S205 M206	L36-Y202 HydrophobicContact CB-CE2 4.47Å; L36-Y202 HydrophobicContact CD2-CE2 4Å; L36-Y202 HydrophobicContact CG-CE2 4.01Å; K37-Y202 HydrophobicContact CB-CD1 4.25Å; K37-Y202 HydrophobicContact CB-CE1 3.72Å; K37-Y202 HydrophobicContact CD-CD1 3.79Å; K37-Y202 HydrophobicContact CD-CE1 3.86Å; K37-Y202 HydrophobicContact CG-CD1 3.89Å; K37-Y202 HydrophobicContact CG-CE1 3.88Å; K37-Y202 HydrophobicContact CG-CG 4.44Å; L40-Y202 HydrophobicContact CD1-CD2 3.69Å; L40-Y202 HydrophobicContact CD1-CE2 4.04Å; W198-Y202 WeakPolarHBondContact O-CB 3.18Å; W198-Y202 PolarHBondContact O-N 3.49Å; F200-Y202 PolarHBondContact O-N 3.21Å; Y202-S205 PolarHBondContact O-N 2.88Å; Y202-M206 HydrophobicContact CD1-CG 4.39Å; Y202-M206 HydrophobicContact CD2-CG 4.29Å; Y202-M206 HydrophobicContact CE1-CG 3.93Å; Y202-M206 HydrophobicContact CE2-CG 3.84Å; Y202-M206 HydrophobicContact CE2-SD 4.19Å; Y202-M206 WeakPolarHBondContact O-CG 3.46Å; Y202-M206 PolarHBondContact O-N 3.33Å
203	E	98.9	Very high	98.8	Very high	43 Å²	43	31 Å²	31	20%	0.201	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-49.5	178.7	-64	-53.4	149	0	0	111.1	K37 R147 E199 F200 S205 M206 D207	K37-E203 WeakPolarHBondContact CD-OE1 3.44Å; K37-E203 IonicContact NZ-OE1 3.88Å; K37-E203 PolarHBondContact NZ-OE1 2.95Å; R147-E203 IonicContact CZ-OE2 3.15Å; R147-E203 IonicContact NH1-OE2 3.66Å; R147-E203 PolarHBondContact NH1-OE2 3.4Å; R147-E203 IonicContact NH2-OE2 2.81Å; R147-E203 PolarHBondContact NH2-OE2 3.06Å; E199-E203 WeakPolarHBondContact O-CG 3.34Å; E199-E203 PolarHBondContact O-N 3.08Å; F200-E203 PolarHBondContact O-N 2.85Å; E203-S205 PolarHBondContact O-N 3.28Å; E203-M206 PolarHBondContact O-N 3.41Å; E203-M206 VanDerWaalsContact O-N 3.17Å; E203-D207 WeakPolarHBondContact O-CB 3.49Å; E203-D207 VanDerWaalsContact O-CG 3.3Å; E203-D207 PolarHBondContact O-N 3.36Å
204	D	98.9	Very high	98.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-33.7	178.7	-76.3	4.3	0	0	0	112	S182 S183 F184 F200 L208 P288 Y289	S182-D204 WeakPolarHBondContact CA-OD2 3.46Å; S182-D204 WeakPolarHBondContact CB-OD2 3.46Å; S182-D204 PolarHBondContact OG-OD2 2.88Å; S183-D204 WeakPolarHBondContact CB-OD1 3.45Å; S183-D204 PolarHBondContact N-OD1 3.33Å; S183-D204 PolarHBondContact N-OD2 3.39Å; S183-D204 PolarHBondContact OG-OD1 2.93Å; F184-D204 WeakPolarHBondContact CB-OD2 3.47Å; F184-D204 PolarHBondContact N-OD2 2.71Å; F184-D204 VanDerWaalsContact N-OD2 3.07Å; F200-D204 PolarHBondContact O-N 3.01Å; D204-L208 WeakPolarHBondContact O-CB 3.44Å; D204-L208 PolarHBondContact O-N 2.72Å; D204-P288 HydrophobicContact CB-CB 4.09Å; D204-P288 HydrophobicContact CB-CG 3.59Å; D204-Y289 HydrophobicContact CB-CD2 4.46Å; D204-Y289 HydrophobicContact CB-CE2 3.91Å
205	S	98.9	Very high	98.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-69.7	-43.6	175.4	-63.7	0	0	0	0	112.2	V201 Y202 E203 L208 I209	V201-S205 WeakPolarHBondContact O-CB 3.18Å; V201-S205 PolarHBondContact O-N 2.88Å; V201-S205 PolarHBondContact O-OG 2.88Å; Y202-S205 PolarHBondContact O-N 2.88Å; E203-S205 PolarHBondContact O-N 3.28Å; S205-L208 PolarHBondContact O-N 3.06Å; S205-I209 WeakPolarHBondContact O-CD1 3.3Å; S205-I209 VanDerWaalsContact O-CG1 3.23Å; S205-I209 WeakPolarHBondContact O-CG1 3.47Å; S205-I209 PolarHBondContact O-N 3.04Å
206	M	98.9	Very high	98.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.2	-43.9	176.2	-71.8	-68.3	-74.8	0	0	111.1	L36 F123 E143 W144 Y202 E203 A210	L36-M206 HydrophobicContact CD2-SD 4.43Å; F123-M206 HydrophobicContact CD1-SD 4.49Å; F123-M206 HydrophobicContact CE1-SD 3.62Å; F123-M206 HydrophobicContact CZ-SD 4.26Å; E143-M206 HydrophobicContact CB-CE 4.16Å; W144-M206 VanDerWaalsContact NE1-CE 3.33Å; W144-M206 PolarHBondContact NE1-SD 3.46Å; W144-M206 VanDerWaalsContact NE1-SD 3.38Å; Y202-M206 HydrophobicContact CD1-CG 4.39Å; Y202-M206 HydrophobicContact CD2-CG 4.29Å; Y202-M206 HydrophobicContact CE1-CG 3.93Å; Y202-M206 HydrophobicContact CE2-CG 3.84Å; Y202-M206 HydrophobicContact CE2-SD 4.19Å; Y202-M206 WeakPolarHBondContact O-CG 3.46Å; Y202-M206 PolarHBondContact O-N 3.33Å; E203-M206 PolarHBondContact O-N 3.41Å; E203-M206 VanDerWaalsContact O-N 3.17Å; M206-A210 WeakPolarHBondContact O-CB 3.36Å; M206-A210 PolarHBondContact O-N 3.46Å; M206-A210 VanDerWaalsContact O-N 3.07Å
207	D	98.9	Very high	98.9	Very high	33 Å²	33	12.2 Å²	12.2	18%	0.176	6%	0.057	C	C	.	.	H	α-helix	trans	-66.3	-42.7	178.3	-71.2	-2.9	0	0	0	111.6	R147 E203 A210 K211 Y289	R147-D207 VanDerWaalsContact CD-OD1 3.29Å; R147-D207 WeakPolarHBondContact CD-OD1 3.45Å; R147-D207 WeakPolarHBondContact CG-OD1 3.39Å; R147-D207 IonicContact CZ-OD1 2.65Å; R147-D207 IonicContact NE-OD1 3.52Å; R147-D207 IonicContact NH1-OD1 3.94Å; R147-D207 PolarHBondContact NH1-OD1 3.26Å; E203-D207 WeakPolarHBondContact O-CB 3.49Å; E203-D207 VanDerWaalsContact O-CG 3.3Å; E203-D207 PolarHBondContact O-N 3.36Å; D207-A210 PolarHBondContact O-N 3.26Å; D207-K211 WeakPolarHBondContact O-CB 3.4Å; D207-K211 WeakPolarHBondContact O-CD 3.4Å; D207-K211 WeakPolarHBondContact O-CG 3.42Å; D207-K211 PolarHBondContact O-N 3.21Å; D207-Y289 WeakPolarHBondContact CB-OH 3.34Å
208	L	98.9	Very high	98.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.7	-53.1	176.5	178.8	53.8	0	0	0	110.7	I175 D204 S205 A210 K211 L212 P288 Y289 F292 L436	I175-L208 HydrophobicContact CG2-CD1 4.13Å; D204-L208 WeakPolarHBondContact O-CB 3.44Å; D204-L208 PolarHBondContact O-N 2.72Å; S205-L208 PolarHBondContact O-N 3.06Å; L208-A210 PolarHBondContact O-N 3.23Å; L208-K211 PolarHBondContact O-N 3.13Å; L208-L212 HydrophobicContact CD1-CD2 3.66Å; L208-L212 HydrophobicContact CD1-CG 3.99Å; L208-L212 HydrophobicContact CG-CD1 4.45Å; L208-L212 HydrophobicContact CG-CD2 4.32Å; L208-L212 HydrophobicContact CG-CG 4.25Å; L208-L212 VanDerWaalsContact O-CG 3.3Å; L208-L212 WeakPolarHBondContact O-CG 3.42Å; L208-L212 PolarHBondContact O-N 3.31Å; L208-P288 HydrophobicContact CD2-CB 4.43Å; L208-Y289 HydrophobicContact CB-CD1 4.31Å; L208-Y289 HydrophobicContact CB-CE1 3.96Å; L208-Y289 HydrophobicContact CD1-CD1 3.76Å; L208-Y289 HydrophobicContact CD1-CE1 3.91Å; L208-Y289 HydrophobicContact CD2-CD1 4.33Å; L208-Y289 HydrophobicContact CG-CD1 4.36Å; L208-Y289 HydrophobicContact CG-CE1 4.42Å; L208-F292 HydrophobicContact CD2-CB 3.75Å; L208-F292 HydrophobicContact CD2-CD1 3.94Å; L208-F292 HydrophobicContact CD2-CG 4.03Å; L208-F292 HydrophobicContact CG-CD1 4.49Å; L208-L436 HydrophobicContact CB-CD1 4.38Å; L208-L436 HydrophobicContact CD2-CD1 3.91Å; L208-L436 HydrophobicContact CD2-CD2 4.22Å; L208-L436 HydrophobicContact CG-CD1 4.16Å
209	I	98.9	Very high	98.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-54.6	-42.6	179.2	-67.9	164.6	0	0	0	111.4	F123 W144 S205 K211 L212 P213 W239 L433 L436	F123-I209 HydrophobicContact CD2-CD1 3.87Å; F123-I209 HydrophobicContact CE1-CD1 4.38Å; F123-I209 HydrophobicContact CE2-CD1 3.38Å; F123-I209 HydrophobicContact CZ-CD1 3.66Å; W144-I209 HydrophobicContact CD2-CG2 3.9Å; W144-I209 HydrophobicContact CE3-CG2 4.07Å; W144-I209 HydrophobicContact CH2-CG2 3.8Å; W144-I209 HydrophobicContact CZ2-CB 4.47Å; W144-I209 HydrophobicContact CZ2-CD1 4.34Å; W144-I209 HydrophobicContact CZ2-CG2 3.59Å; W144-I209 HydrophobicContact CZ3-CG2 4.01Å; S205-I209 WeakPolarHBondContact O-CD1 3.3Å; S205-I209 VanDerWaalsContact O-CG1 3.23Å; S205-I209 WeakPolarHBondContact O-CG1 3.47Å; S205-I209 PolarHBondContact O-N 3.04Å; I209-K211 VanDerWaalsContact C-N 3.34Å; I209-K211 PolarHBondContact O-N 3.48Å; I209-L212 PolarHBondContact O-N 3.49Å; I209-P213 VanDerWaalsContact O-CD 3.26Å; I209-P213 WeakPolarHBondContact O-CD 3.48Å; I209-W239 HydrophobicContact CG2-CZ2 3.88Å; I209-W239 WeakPolarHBondContact O-CZ2 3.42Å; I209-W239 PolarHBondContact O-NE1 3.41Å; I209-L433 HydrophobicContact CD1-CD2 4.1Å; I209-L433 HydrophobicContact CG1-CD2 4.31Å; I209-L433 HydrophobicContact CG2-CD2 3.76Å; I209-L436 HydrophobicContact CD1-CB 4.4Å; I209-L436 HydrophobicContact CD1-CD1 4.04Å; I209-L436 HydrophobicContact CG1-CD1 3.6Å
210	A	98.9	Very high	98.9	Very high	3 Å²	3	9 Å²	9	3%	0.025	4%	0.043	C	C	.	.	H	α-helix	trans	-60.5	-40.1	176.2	0	0	0	0	0	113.3	W144 R147 A148 M206 D207 L208	W144-A210 HydrophobicContact CB-CB 4.12Å; W144-A210 HydrophobicContact CG-CB 4.48Å; W144-A210 WeakPolarHBondContact O-CB 3.3Å; R147-A210 HydrophobicContact CB-CB 3.54Å; A148-A210 HydrophobicContact CB-CB 4.39Å; A148-A210 WeakPolarHBondContact CB-O 3.45Å; M206-A210 WeakPolarHBondContact O-CB 3.36Å; M206-A210 PolarHBondContact O-N 3.46Å; M206-A210 VanDerWaalsContact O-N 3.07Å; D207-A210 PolarHBondContact O-N 3.26Å; L208-A210 PolarHBondContact O-N 3.23Å
211	K	98.9	Very high	98.9	Very high	12 Å²	12	8.3 Å²	8.3	5%	0.052	4%	0.039	C	C	.	.	H	α-helix	trans	-82.2	-22.5	-176.5	-68.9	170.1	-167.8	176.8	0	113.6	R147 A149 L150 L178 D207 L208 I209 C214 I215 Y289	R147-K211 WeakPolarHBondContact O-CE 3.42Å; A149-K211 WeakPolarHBondContact O-CE 3.47Å; L150-K211 HydrophobicContact CD2-CB 3.79Å; L150-K211 HydrophobicContact CD2-CD 4.36Å; L150-K211 HydrophobicContact CD2-CG 4Å; L178-K211 HydrophobicContact CD1-CB 4.23Å; L178-K211 HydrophobicContact CD1-CD 4.23Å; L178-K211 HydrophobicContact CD2-CD 4.19Å; D207-K211 WeakPolarHBondContact O-CB 3.4Å; D207-K211 WeakPolarHBondContact O-CD 3.4Å; D207-K211 WeakPolarHBondContact O-CG 3.42Å; D207-K211 PolarHBondContact O-N 3.21Å; L208-K211 PolarHBondContact O-N 3.13Å; I209-K211 VanDerWaalsContact C-N 3.34Å; I209-K211 PolarHBondContact O-N 3.48Å; K211-C214 WeakPolarHBondContact O-CB 3.46Å; K211-C214 PolarHBondContact O-N 3.37Å; K211-C214 VanDerWaalsContact O-N 3.15Å; K211-I215 WeakPolarHBondContact O-CG1 3.34Å; K211-I215 PolarHBondContact O-N 3.22Å; K211-I215 VanDerWaalsContact O-N 3.16Å; K211-Y289 PolarHBondContact NZ-OH 2.89Å
212	L	98.9	Very high	98.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-58.1	-46.1	-175.3	-74.3	178.8	0	0	0	113.8	F171 I175 L208 I209 C214 I215 A216 F292 V429 A432	F171-L212 HydrophobicContact CE2-CD2 3.87Å; F171-L212 HydrophobicContact CZ-CD2 3.64Å; I175-L212 HydrophobicContact CD1-CD2 3.82Å; I175-L212 HydrophobicContact CG1-CD2 3.88Å; L208-L212 HydrophobicContact CD1-CD2 3.66Å; L208-L212 HydrophobicContact CD1-CG 3.99Å; L208-L212 HydrophobicContact CG-CD1 4.45Å; L208-L212 HydrophobicContact CG-CD2 4.32Å; L208-L212 HydrophobicContact CG-CG 4.25Å; L208-L212 VanDerWaalsContact O-CG 3.3Å; L208-L212 WeakPolarHBondContact O-CG 3.42Å; L208-L212 PolarHBondContact O-N 3.31Å; I209-L212 PolarHBondContact O-N 3.49Å; L212-C214 VanDerWaalsContact C-N 3.3Å; L212-C214 PolarHBondContact O-N 3.4Å; L212-I215 HydrophobicContact CD2-CD1 4.47Å; L212-I215 PolarHBondContact O-N 3.27Å; L212-A216 VanDerWaalsContact O-CB 3.26Å; L212-A216 WeakPolarHBondContact O-CB 3.19Å; L212-A216 PolarHBondContact O-N 3.26Å; L212-F292 HydrophobicContact CD1-CD1 4.41Å; L212-F292 HydrophobicContact CD1-CE1 3.67Å; L212-F292 HydrophobicContact CD1-CZ 3.98Å; L212-F292 HydrophobicContact CD2-CD1 4.16Å; L212-F292 HydrophobicContact CD2-CE1 3.64Å; L212-F292 HydrophobicContact CG-CE1 4.31Å; L212-V429 HydrophobicContact CB-CG2 4.46Å; L212-A432 HydrophobicContact CD1-CB 3.24Å
213	P	98.9	Very high	98.9	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.013	5%	0.052	C	C	.	.	H	α-helix	trans	-58.6	-37.7	174.8	-30.3	39	0	0	0	113.9	I209 A216 A217 W239 F243 M246	I209-P213 VanDerWaalsContact O-CD 3.26Å; I209-P213 WeakPolarHBondContact O-CD 3.48Å; P213-A216 PolarHBondContact O-N 2.86Å; P213-A217 WeakPolarHBondContact O-CB 3.43Å; P213-A217 PolarHBondContact O-N 3.31Å; P213-W239 HydrophobicContact CG-CD2 4.25Å; P213-W239 HydrophobicContact CG-CZ2 3.61Å; P213-F243 HydrophobicContact CB-CB 3.88Å; P213-F243 HydrophobicContact CB-CD2 3.55Å; P213-F243 HydrophobicContact CB-CE2 4.26Å; P213-F243 HydrophobicContact CB-CG 3.82Å; P213-F243 HydrophobicContact CG-CB 4.35Å; P213-F243 HydrophobicContact CG-CD2 4.49Å; P213-F243 HydrophobicContact CG-CG 4.38Å; P213-M246 HydrophobicContact CB-CE 3.52Å
214	C	98.9	Very high	98.9	Very high	7 Å²	7	11.9 Å²	11.9	5%	0.047	6%	0.055	C	C	.	.	H	α-helix	trans	-63.8	-46.6	178.5	-58.5	0	0	0	0	111	A148 L150 K211 L212 K218 I230 M246	A148-C214 PolarHBondContact O-SG 3.16Å; L150-C214 HydrophobicContact CD1-CB 3.69Å; L150-C214 HydrophobicContact CD2-CB 4.36Å; L150-C214 HydrophobicContact CG-CB 3.93Å; K211-C214 WeakPolarHBondContact O-CB 3.46Å; K211-C214 PolarHBondContact O-N 3.37Å; K211-C214 VanDerWaalsContact O-N 3.15Å; L212-C214 VanDerWaalsContact C-N 3.3Å; L212-C214 PolarHBondContact O-N 3.4Å; C214-K218 VanDerWaalsContact O-CB 3.28Å; C214-K218 WeakPolarHBondContact O-CB 3.47Å; C214-K218 PolarHBondContact O-N 3.33Å; C214-I230 HydrophobicContact CB-CD1 4.25Å; C214-M246 HydrophobicContact CB-SD 4.42Å
215	I	98.9	Very high	98.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.7	-52.1	176.6	-58.7	168.6	0	0	0	109.8	L150 L158 F171 A174 I175 L178 K211 L212 A217 K218 I219	L150-I215 HydrophobicContact CD1-CG1 4.17Å; L150-I215 HydrophobicContact CD2-CG1 3.9Å; L158-I215 HydrophobicContact CD1-CG2 4.1Å; L158-I215 HydrophobicContact CD2-CG2 4.22Å; F171-I215 HydrophobicContact CD2-CB 4.38Å; F171-I215 HydrophobicContact CD2-CG2 3.71Å; F171-I215 HydrophobicContact CE2-CB 4.3Å; F171-I215 HydrophobicContact CE2-CG2 4.12Å; A174-I215 HydrophobicContact CB-CG2 3.57Å; I175-I215 HydrophobicContact CG1-CD1 4.11Å; L178-I215 HydrophobicContact CD1-CD1 3.28Å; L178-I215 HydrophobicContact CD1-CG1 4.21Å; L178-I215 HydrophobicContact CG-CD1 4.43Å; K211-I215 WeakPolarHBondContact O-CG1 3.34Å; K211-I215 PolarHBondContact O-N 3.22Å; K211-I215 VanDerWaalsContact O-N 3.16Å; L212-I215 HydrophobicContact CD2-CD1 4.47Å; L212-I215 PolarHBondContact O-N 3.27Å; I215-A217 VanDerWaalsContact C-N 3.35Å; I215-A217 PolarHBondContact O-N 2.89Å; I215-K218 PolarHBondContact O-N 3Å; I215-I219 HydrophobicContact CG2-CD1 3.91Å; I215-I219 WeakPolarHBondContact O-CG1 3.37Å; I215-I219 PolarHBondContact O-N 2.94Å
216	A	98.9	Very high	98.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.4	-47	-176.7	0	0	0	0	0	110.8	F171 L212 P213 K218 I219 Y220 F243 Y422 V425 V429	F171-A216 HydrophobicContact CE2-CB 4.1Å; L212-A216 VanDerWaalsContact O-CB 3.26Å; L212-A216 WeakPolarHBondContact O-CB 3.19Å; L212-A216 PolarHBondContact O-N 3.26Å; P213-A216 PolarHBondContact O-N 2.86Å; A216-K218 PolarHBondContact O-N 3.33Å; A216-I219 PolarHBondContact O-N 3.46Å; A216-Y220 PolarHBondContact O-N 3.33Å; A216-F243 HydrophobicContact CB-CE2 3.77Å; A216-F243 HydrophobicContact CB-CZ 3.88Å; A216-Y422 WeakPolarHBondContact CB-OH 3.46Å; A216-Y422 PolarHBondContact O-OH 3.22Å; A216-V425 HydrophobicContact CB-CG1 3.73Å; A216-V429 HydrophobicContact CB-CG2 3.73Å
217	A	98.9	Very high	98.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-37.1	178.9	0	0	0	0	0	112.5	P213 I215 Y220 R221 I230 F243 M246 L247	P213-A217 WeakPolarHBondContact O-CB 3.43Å; P213-A217 PolarHBondContact O-N 3.31Å; I215-A217 VanDerWaalsContact C-N 3.35Å; I215-A217 PolarHBondContact O-N 2.89Å; A217-Y220 WeakPolarHBondContact O-CB 3.37Å; A217-Y220 PolarHBondContact O-N 3.12Å; A217-R221 WeakPolarHBondContact O-CG 3.41Å; A217-R221 PolarHBondContact O-N 2.95Å; A217-I230 HydrophobicContact CB-CG2 3.91Å; A217-F243 HydrophobicContact CB-CD2 4.4Å; A217-F243 HydrophobicContact CB-CE2 4.25Å; A217-M246 HydrophobicContact CB-CB 3.53Å; A217-L247 HydrophobicContact CB-CD2 4.19Å; A217-L247 HydrophobicContact CB-CG 4.35Å
218	K	98.9	Very high	98.8	Very high	27 Å²	27	27.8 Å²	27.8	12%	0.117	14%	0.141	C	C	.	.	H	α-helix	trans	-64.4	-42.6	175.8	-168.8	168.3	176.4	69.6	0	111.4	V155 L158 D159 C214 I215 A216 Y220 R221 N222 I230	V155-K218 HydrophobicContact CG1-CD 4.4Å; V155-K218 VanDerWaalsContact CG1-CE 3.47Å; V155-K218 WeakPolarHBondContact O-CE 3.22Å; L158-K218 HydrophobicContact CB-CD 3.85Å; L158-K218 HydrophobicContact CB-CG 4.15Å; L158-K218 HydrophobicContact CD1-CB 4.32Å; L158-K218 HydrophobicContact CD1-CD 3.79Å; L158-K218 HydrophobicContact CD1-CG 4.32Å; L158-K218 HydrophobicContact CG-CD 4.46Å; D159-K218 VanDerWaalsContact CG-CE 3.41Å; D159-K218 WeakPolarHBondContact OD1-CE 3.45Å; D159-K218 IonicContact OD1-NZ 2.73Å; D159-K218 PolarHBondContact OD1-NZ 3.31Å; D159-K218 WeakPolarHBondContact OD2-CE 3.2Å; D159-K218 IonicContact OD2-NZ 3.63Å; D159-K218 PolarHBondContact OD2-NZ 3.29Å; C214-K218 VanDerWaalsContact O-CB 3.28Å; C214-K218 WeakPolarHBondContact O-CB 3.47Å; C214-K218 PolarHBondContact O-N 3.33Å; I215-K218 PolarHBondContact O-N 3Å; A216-K218 PolarHBondContact O-N 3.33Å; K218-Y220 VanDerWaalsContact C-N 3.34Å; K218-Y220 PolarHBondContact O-N 3.31Å; K218-R221 PolarHBondContact O-N 3.23Å; K218-N222 VanDerWaalsContact O-CB 3.26Å; K218-N222 WeakPolarHBondContact O-CB 3.48Å; K218-N222 PolarHBondContact O-N 2.93Å; K218-N222 PolarHBondContact O-OD1 2.85Å; K218-I230 HydrophobicContact CB-CG2 4.2Å
219	I	98.9	Very high	98.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.2	-47.8	171.9	-66.3	166.6	0	0	0	110.6	L158 P167 Q170 F171 I215 A216 R221 N222 L223 Y422	L158-I219 HydrophobicContact CD2-CD1 4.04Å; L158-I219 HydrophobicContact CD2-CG1 3.54Å; P167-I219 HydrophobicContact CB-CG2 3.79Å; Q170-I219 HydrophobicContact CB-CD1 3.84Å; Q170-I219 HydrophobicContact CB-CG1 3.98Å; Q170-I219 HydrophobicContact CB-CG2 4.37Å; F171-I219 VanDerWaalsContact CA-CD1 3.47Å; F171-I219 HydrophobicContact CB-CD1 3.71Å; F171-I219 HydrophobicContact CD2-CD1 3.98Å; F171-I219 HydrophobicContact CG-CD1 4.33Å; I215-I219 HydrophobicContact CG2-CD1 3.91Å; I215-I219 WeakPolarHBondContact O-CG1 3.37Å; I215-I219 PolarHBondContact O-N 2.94Å; A216-I219 PolarHBondContact O-N 3.46Å; I219-R221 PolarHBondContact O-N 3.44Å; I219-N222 PolarHBondContact O-N 3.25Å; I219-L223 HydrophobicContact CG2-CD1 3.79Å; I219-L223 HydrophobicContact CG2-CG 4.48Å; I219-L223 WeakPolarHBondContact O-CB 3.42Å; I219-L223 WeakPolarHBondContact O-CG 3.34Å; I219-L223 PolarHBondContact O-N 3.5Å; I219-Y422 HydrophobicContact CB-CE2 4.43Å; I219-Y422 HydrophobicContact CG2-CD2 4.46Å; I219-Y422 HydrophobicContact CG2-CE2 4.15Å
220	Y	98.9	Very high	98.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-47.7	-179.6	-170.9	-103.7	0	0	0	111.9	A216 A217 K218 L223 Y224 R225 L247 Y249 M417 E419 Y422	A216-Y220 PolarHBondContact O-N 3.33Å; A217-Y220 WeakPolarHBondContact O-CB 3.37Å; A217-Y220 PolarHBondContact O-N 3.12Å; K218-Y220 VanDerWaalsContact C-N 3.34Å; K218-Y220 PolarHBondContact O-N 3.31Å; Y220-L223 PolarHBondContact O-N 3.34Å; Y220-Y224 AromaticContact CD2-CD2 3.41Å; Y220-Y224 HydrophobicContact CD2-CD2 3.41Å; Y220-Y224 VanDerWaalsContact CD2-CD2 3.41Å; Y220-Y224 AromaticContact CD2-CE2 3.9Å; Y220-Y224 HydrophobicContact CD2-CE2 3.9Å; Y220-Y224 AromaticContact CE2-CD2 3.58Å; Y220-Y224 HydrophobicContact CE2-CD2 3.58Å; Y220-Y224 HydrophobicContact CE2-CE2 4.19Å; Y220-Y224 HydrophobicContact CE2-CG 4.39Å; Y220-Y224 HydrophobicContact CG-CD2 4.05Å; Y220-Y224 WeakPolarHBondContact O-CB 3.45Å; Y220-Y224 VanDerWaalsContact O-CD2 3.27Å; Y220-Y224 WeakPolarHBondContact O-CD2 3.38Å; Y220-Y224 PolarHBondContact O-N 3.44Å; Y220-R225 HydrophobicContact CE1-CG 4.35Å; Y220-R225 PolarHBondContact OH-NH2 3.39Å; Y220-L247 HydrophobicContact CD1-CB 4.46Å; Y220-L247 HydrophobicContact CD1-CD2 3.72Å; Y220-L247 HydrophobicContact CD2-CD2 4.33Å; Y220-L247 HydrophobicContact CG-CD2 3.61Å; Y220-Y249 AromaticContact CE1-CE2 3.9Å; Y220-Y249 HydrophobicContact CE1-CE2 3.9Å; Y220-Y249 PolarHBondContact OH-OH 3.5Å; Y220-M417 HydrophobicContact CD2-CE 4.29Å; Y220-M417 HydrophobicContact CD2-SD 4.1Å; Y220-M417 HydrophobicContact CE1-CE 4.22Å; Y220-M417 HydrophobicContact CE2-CE 3.74Å; Y220-M417 HydrophobicContact CE2-SD 3.25Å; Y220-M417 WeakPolarHBondContact CE2-SD 3.37Å; Y220-M417 VanDerWaalsContact CZ-SD 3.57Å; Y220-M417 PolarHBondContact OH-SD 3.34Å; Y220-E419 HydrophobicContact CE2-CB 4.47Å; Y220-E419 WeakPolarHBondContact CE2-OE2 3.41Å; Y220-E419 PolarHBondContact OH-OE1 2.97Å; Y220-E419 VanDerWaalsContact OH-OE1 3.13Å; Y220-E419 PolarHBondContact OH-OE2 3.49Å; Y220-Y422 AromaticContact CD2-CD1 3.51Å; Y220-Y422 HydrophobicContact CD2-CD1 3.51Å; Y220-Y422 AromaticContact CD2-CD2 3.89Å; Y220-Y422 HydrophobicContact CD2-CD2 3.89Å; Y220-Y422 AromaticContact CD2-CE1 3.61Å; Y220-Y422 HydrophobicContact CD2-CE1 3.61Å; Y220-Y422 AromaticContact CD2-CE2 3.97Å; Y220-Y422 HydrophobicContact CD2-CE2 3.97Å; Y220-Y422 AromaticContact CD2-CG 3.67Å; Y220-Y422 HydrophobicContact CD2-CG 3.67Å; Y220-Y422 AromaticContact CD2-CZ 3.84Å; Y220-Y422 HydrophobicContact CE2-CD1 4.01Å; Y220-Y422 HydrophobicContact CE2-CE1 4.39Å; Y220-Y422 HydrophobicContact CE2-CG 4.28Å; Y220-Y422 HydrophobicContact CG-CE1 4.2Å; Y220-Y422 HydrophobicContact CG-CE2 4.33Å
221	R	98.8	Very high	98.5	Very high	42 Å²	42	36.2 Å²	36.2	16%	0.158	21%	0.205	C	C	.	.	H	α-helix	trans	-70.1	-38.7	-179.3	-69.8	-160.6	177.6	-132.4	12.3	112.9	A217 K218 I219 L223 R225 E226 G227 S228 S229 I230 N245 M246	A217-R221 WeakPolarHBondContact O-CG 3.41Å; A217-R221 PolarHBondContact O-N 2.95Å; K218-R221 PolarHBondContact O-N 3.23Å; I219-R221 PolarHBondContact O-N 3.44Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 PolarHBondContact O-N 3.11Å; R221-R225 HydrophobicContact CB-CB 4.24Å; R221-R225 HydrophobicContact CG-CB 4.26Å; R221-R225 HydrophobicContact CG-CG 4.48Å; R221-R225 CarbonylContact O-C 3.04Å; R221-R225 VanDerWaalsContact O-CA 3.29Å; R221-R225 WeakPolarHBondContact O-CA 3.43Å; R221-R225 PolarHBondContact O-N 3.16Å; R221-E226 PolarHBondContact O-N 2.84Å; R221-G227 PolarHBondContact O-N 2.99Å; R221-S228 WeakPolarHBondContact CB-O 3.19Å; R221-S228 WeakPolarHBondContact CD-O 3.44Å; R221-S228 PolarHBondContact NH1-OG 3.04Å; R221-S229 WeakPolarHBondContact CD-O 3.32Å; R221-S229 VanDerWaalsContact CZ-O 3.23Å; R221-S229 PolarHBondContact NE-O 3.22Å; R221-S229 PolarHBondContact NH1-O 3.11Å; R221-S229 VanDerWaalsContact NH1-O 3.11Å; R221-I230 HydrophobicContact CG-CG2 4.28Å; R221-N245 PolarHBondContact NH2-O 3.18Å; R221-M246 PolarHBondContact NE-O 2.89Å; R221-M246 PolarHBondContact NH2-O 3.02Å
222	N	98.9	Very high	98.4	Very high	27 Å²	27	40 Å²	40	14%	0.144	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-41	175.9	-70.8	4.6	0	0	0	111.6	L158 D159 K218 I219	L158-N222 PolarHBondContact O-ND2 3.2Å; D159-N222 WeakPolarHBondContact CA-ND2 3.46Å; D159-N222 PolarHBondContact OD1-ND2 3.24Å; K218-N222 VanDerWaalsContact O-CB 3.26Å; K218-N222 WeakPolarHBondContact O-CB 3.48Å; K218-N222 PolarHBondContact O-N 2.93Å; K218-N222 PolarHBondContact O-OD1 2.85Å; I219-N222 PolarHBondContact O-N 3.25Å
223	L	98.8	Very high	98.3	Very high	32 Å²	32	42.6 Å²	42.6	17%	0.168	25%	0.252	C	S	.	.	H	α-helix	trans	-80.7	-37.9	-179	-71	176.9	0	0	0	113.9	T163 P167 I219 Y220 R221	T163-L223 HydrophobicContact CG2-CD2 4.48Å; P167-L223 HydrophobicContact CB-CD1 3.81Å; P167-L223 HydrophobicContact CG-CD1 4.37Å; I219-L223 HydrophobicContact CG2-CD1 3.79Å; I219-L223 HydrophobicContact CG2-CG 4.48Å; I219-L223 WeakPolarHBondContact O-CB 3.42Å; I219-L223 WeakPolarHBondContact O-CG 3.34Å; I219-L223 PolarHBondContact O-N 3.5Å; Y220-L223 PolarHBondContact O-N 3.34Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 PolarHBondContact O-N 3.11Å
224	Y	98.7	Very high	98.3	Very high	64 Å²	64	45.7 Å²	45.7	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-127.6	-3.5	-163.2	-45.8	-60.8	0	0	0	114.3	Y220 E419 Y422	Y220-Y224 AromaticContact CD2-CD2 3.41Å; Y220-Y224 HydrophobicContact CD2-CD2 3.41Å; Y220-Y224 VanDerWaalsContact CD2-CD2 3.41Å; Y220-Y224 AromaticContact CD2-CE2 3.9Å; Y220-Y224 HydrophobicContact CD2-CE2 3.9Å; Y220-Y224 AromaticContact CE2-CD2 3.58Å; Y220-Y224 HydrophobicContact CE2-CD2 3.58Å; Y220-Y224 HydrophobicContact CE2-CE2 4.19Å; Y220-Y224 HydrophobicContact CE2-CG 4.39Å; Y220-Y224 HydrophobicContact CG-CD2 4.05Å; Y220-Y224 WeakPolarHBondContact O-CB 3.45Å; Y220-Y224 VanDerWaalsContact O-CD2 3.27Å; Y220-Y224 WeakPolarHBondContact O-CD2 3.38Å; Y220-Y224 PolarHBondContact O-N 3.44Å; Y224-E419 HydrophobicContact CD1-CB 4.12Å; Y224-E419 HydrophobicContact CD1-CG 3.66Å; Y224-E419 HydrophobicContact CD2-CB 4.09Å; Y224-E419 HydrophobicContact CD2-CG 4.03Å; Y224-E419 HydrophobicContact CE1-CB 3.93Å; Y224-E419 HydrophobicContact CE1-CG 3.99Å; Y224-E419 HydrophobicContact CE2-CB 3.92Å; Y224-E419 HydrophobicContact CE2-CG 4.34Å; Y224-E419 HydrophobicContact CG-CB 4.18Å; Y224-E419 HydrophobicContact CG-CG 3.67Å; Y224-Y422 HydrophobicContact CE2-CD2 4.03Å; Y224-Y422 HydrophobicContact CE2-CG 4.16Å
225	R	98.4	Very high	98.1	Very high	83 Å²	83	48.7 Å²	48.7	31%	0.313	29%	0.289	S	S	.	.	S	Bend	trans	-138	39.1	178.6	-53.8	-68.9	-178.4	-83.5	-0.5	111.4	Y220 R221 G227 S228 Y249 E419	Y220-R225 HydrophobicContact CE1-CG 4.35Å; Y220-R225 PolarHBondContact OH-NH2 3.39Å; R221-R225 HydrophobicContact CB-CB 4.24Å; R221-R225 HydrophobicContact CG-CB 4.26Å; R221-R225 HydrophobicContact CG-CG 4.48Å; R221-R225 CarbonylContact O-C 3.04Å; R221-R225 VanDerWaalsContact O-CA 3.29Å; R221-R225 WeakPolarHBondContact O-CA 3.43Å; R221-R225 PolarHBondContact O-N 3.16Å; R225-G227 PolarHBondContact O-N 3.34Å; R225-G227 VanDerWaalsContact O-N 3.08Å; R225-S228 VanDerWaalsContact O-CB 3.32Å; R225-S228 WeakPolarHBondContact O-CB 3.38Å; R225-S228 PolarHBondContact O-N 3.15Å; R225-S228 PolarHBondContact O-OG 3.09Å; R225-Y249 PolarHBondContact NH2-OH 3.31Å; R225-E419 IonicContact CZ-OE1 3.48Å; R225-E419 IonicContact NH1-OE1 2.61Å; R225-E419 PolarHBondContact NH1-OE1 3.22Å; R225-E419 IonicContact NH2-OE1 2.85Å; R225-E419 PolarHBondContact NH2-OE1 3.01Å
226	E	98.3	Very high	98.1	Very high	198 Å²	198	55.1 Å²	55.1	93%	0.925	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	30	169.5	-58.8	172	-175.4	0	0	114.7	R221 S228	R221-E226 PolarHBondContact O-N 2.84Å; E226-S228 VanDerWaalsContact C-N 3.25Å; E226-S228 PolarHBondContact O-N 3.3Å
227	G	97.8	Very high	98	Very high	41 Å²	41	56.7 Å²	56.7	42%	0.423	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	19.4	-178.9	0	0	0	0	0	114.4	R221 R225	R221-G227 PolarHBondContact O-N 2.99Å; R225-G227 PolarHBondContact O-N 3.34Å; R225-G227 VanDerWaalsContact O-N 3.08Å
228	S	98.3	Very high	98	Very high	46 Å²	46	57.5 Å²	57.5	32%	0.322	34%	0.336	S	S	.	.			trans	-58.6	148.6	175.8	56.9	0	0	0	0	112.2	R221 R225 E226	R221-S228 WeakPolarHBondContact CB-O 3.19Å; R221-S228 WeakPolarHBondContact CD-O 3.44Å; R221-S228 PolarHBondContact NH1-OG 3.04Å; R225-S228 VanDerWaalsContact O-CB 3.32Å; R225-S228 WeakPolarHBondContact O-CB 3.38Å; R225-S228 PolarHBondContact O-N 3.15Å; R225-S228 PolarHBondContact O-OG 3.09Å; E226-S228 VanDerWaalsContact C-N 3.25Å; E226-S228 PolarHBondContact O-N 3.3Å
229	S	97.8	Very high	98	Very high	95 Å²	95	56.8 Å²	56.8	66%	0.664	33%	0.332	S	S	*	.			trans	-60	141.6	179.4	-179.3	0	0	0	0	112	R221 G231	R221-S229 WeakPolarHBondContact CD-O 3.32Å; R221-S229 VanDerWaalsContact CZ-O 3.23Å; R221-S229 PolarHBondContact NE-O 3.22Å; R221-S229 PolarHBondContact NH1-O 3.11Å; R221-S229 VanDerWaalsContact NH1-O 3.11Å; S229-G231 PolarHBondContact O-N 3.12Å; S229-G231 PolarHBondContact OG-N 2.92Å
230	I	97.9	Very high	98	Very high	32 Å²	32	56.8 Å²	56.8	16%	0.164	33%	0.332	C	S	.	.			trans	-75.6	-7.9	172.9	60.5	170.4	0	0	0	112.9	C214 A217 K218 R221 M246	C214-I230 HydrophobicContact CB-CD1 4.25Å; A217-I230 HydrophobicContact CB-CG2 3.91Å; K218-I230 HydrophobicContact CB-CG2 4.2Å; R221-I230 HydrophobicContact CG-CG2 4.28Å; I230-M246 HydrophobicContact CB-CB 4.14Å; I230-M246 HydrophobicContact CB-CG 4.26Å; I230-M246 HydrophobicContact CD1-SD 3.98Å; I230-M246 WeakPolarHBondContact O-CA 3.25Å; I230-M246 WeakPolarHBondContact O-CG 3.45Å
231	G	96.2	Very high	98	Very high	52 Å²	52	59.2 Å²	59.2	54%	0.536	34%	0.344	S	S	.	.			trans	77.9	-160.9	-176.4	0	0	0	0	0	113.1	S229	S229-G231 PolarHBondContact O-N 3.12Å; S229-G231 PolarHBondContact OG-N 2.92Å
232	A	95.8	Very high	98	Very high	91 Å²	91	57.6 Å²	57.6	75%	0.752	34%	0.338	S	S	*	.			trans	-107.7	152.5	179.8	0	0	0	0	0	111
233	I	97.7	Very high	98	Very high	56 Å²	56	56.3 Å²	56.3	29%	0.287	33%	0.332	S	S	.	.			trans	-69.4	132.1	168.8	-65.7	-67.8	0	0	0	109.2	A145 A148 N242 M246	A145-I233 HydrophobicContact CB-CG2 3.79Å; A148-I233 HydrophobicContact CB-CD1 4.15Å; A148-I233 HydrophobicContact CB-CG1 3.93Å; I233-N242 HydrophobicContact CD1-CB 4.2Å; I233-M246 HydrophobicContact CD1-CE 3.6Å; I233-M246 HydrophobicContact CD1-SD 3.64Å
234	D	97.6	Very high	98	Very high	66 Å²	66	54.8 Å²	54.8	35%	0.353	32%	0.324	S	S	.	.			trans	-96.3	114.2	167.9	-174	-16	0	0	0	109.5	N236 L237 N242	D234-N236 PolarHBondContact O-N 3.41Å; D234-N236 VanDerWaalsContact O-N 3.12Å; D234-N236 WeakPolarHBondContact OD1-CB 3.49Å; D234-N236 PolarHBondContact OD1-N 3.15Å; D234-N236 PolarHBondContact OD1-ND2 3.43Å; D234-L237 HydrophobicContact CB-CB 4.39Å; D234-L237 HydrophobicContact CB-CD1 3.77Å; D234-L237 HydrophobicContact CB-CG 3.76Å; D234-L237 PolarHBondContact O-N 3.12Å; D234-L237 VanDerWaalsContact O-N 3.12Å; D234-N242 PolarHBondContact N-OD1 3.39Å; D234-N242 PolarHBondContact O-ND2 3.15Å; D234-N242 PolarHBondContact O-OD1 3.19Å
235	S	96.6	Very high	98	Very high	70 Å²	70	54.8 Å²	54.8	49%	0.49	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-10	-179.6	61.6	0	0	0	0	115.1
236	N	97.3	Very high	98.1	Very high	135 Å²	135	51 Å²	51	72%	0.722	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-7.2	176.7	-57.8	-59.7	0	0	0	113.3	D234	D234-N236 PolarHBondContact O-N 3.41Å; D234-N236 VanDerWaalsContact O-N 3.12Å; D234-N236 WeakPolarHBondContact OD1-CB 3.49Å; D234-N236 PolarHBondContact OD1-N 3.15Å; D234-N236 PolarHBondContact OD1-ND2 3.43Å
237	L	98.4	Very high	98.1	Very high	34 Å²	34	41.6 Å²	41.6	18%	0.178	27%	0.27	C	S	.	.	S	Bend	trans	-99.3	151.1	180	-56.9	-176.2	0	0	0	111.2	D234 H241 N242 N245	D234-L237 HydrophobicContact CB-CB 4.39Å; D234-L237 HydrophobicContact CB-CD1 3.77Å; D234-L237 HydrophobicContact CB-CG 3.76Å; D234-L237 PolarHBondContact O-N 3.12Å; D234-L237 VanDerWaalsContact O-N 3.12Å; L237-H241 HydrophobicContact CB-CB 4.27Å; L237-N242 PolarHBondContact O-ND2 3.08Å; L237-N245 VanDerWaalsContact CD1-ND2 3.27Å; L237-N245 WeakPolarHBondContact CD1-ND2 3.37Å
238	D	98.9	Very high	98.1	Very high	16 Å²	16	41.9 Å²	41.9	9%	0.086	27%	0.273	C	S	.	.			trans	-68.6	165.8	169.3	64.7	104.1	0	0	0	111.6	L118 E120 S240 H241 N242 R259	L118-D238 HydrophobicContact CD2-CB 3.86Å; E120-D238 WeakPolarHBondContact OE1-CA 3.22Å; E120-D238 WeakPolarHBondContact OE1-CB 3.34Å; D238-S240 VanDerWaalsContact C-N 3.33Å; D238-S240 PolarHBondContact O-N 3.28Å; D238-S240 PolarHBondContact OD1-N 3.1Å; D238-H241 PolarHBondContact O-N 3.48Å; D238-H241 PolarHBondContact OD1-N 3.03Å; D238-H241 VanDerWaalsContact OD2-CB 3.27Å; D238-H241 WeakPolarHBondContact OD2-CB 3.32Å; D238-N242 PolarHBondContact O-N 2.88Å; D238-N242 PolarHBondContact O-ND2 3.5Å; D238-R259 IonicContact OD1-CZ 2.67Å; D238-R259 IonicContact OD1-NE 3.55Å; D238-R259 PolarHBondContact OD1-NE 3.15Å; D238-R259 IonicContact OD1-NH2 3.22Å; D238-R259 IonicContact OD2-CZ 3.5Å; D238-R259 IonicContact OD2-NE 2.63Å; D238-R259 IonicContact OD2-NH2 3.53Å; D238-R259 PolarHBondContact OD2-NH2 3.49Å
239	W	98.9	Very high	98.1	Very high	12 Å²	12	40.9 Å²	40.9	5%	0.045	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-42.1	-173.9	-172.5	67.7	0	0	0	113.1	P119 E120 W144 I209 P213 F243 L262 V429 L433	P119-W239 HydrophobicContact CB-CE3 3.99Å; P119-W239 HydrophobicContact CB-CZ3 4.12Å; P119-W239 HydrophobicContact CG-CE3 4.29Å; E120-W239 VanDerWaalsContact OE1-CB 3.3Å; E120-W239 WeakPolarHBondContact OE1-CB 3.29Å; E120-W239 PolarHBondContact OE1-N 3.1Å; W144-W239 HydrophobicContact CE3-CB 3.7Å; W144-W239 AromaticContact CE3-CD1 3.58Å; W144-W239 AromaticContact CE3-CD2 3.96Å; W144-W239 HydrophobicContact CE3-CD2 3.96Å; W144-W239 AromaticContact CE3-CG 3.49Å; W144-W239 HydrophobicContact CE3-CG 3.49Å; W144-W239 VanDerWaalsContact CE3-CG 3.49Å; W144-W239 HydrophobicContact CZ3-CB 4.03Å; W144-W239 AromaticContact CZ3-CD2 3.87Å; W144-W239 HydrophobicContact CZ3-CD2 3.87Å; W144-W239 HydrophobicContact CZ3-CE3 4.14Å; W144-W239 AromaticContact CZ3-CG 3.83Å; W144-W239 HydrophobicContact CZ3-CG 3.83Å; I209-W239 HydrophobicContact CG2-CZ2 3.88Å; I209-W239 WeakPolarHBondContact O-CZ2 3.42Å; I209-W239 PolarHBondContact O-NE1 3.41Å; P213-W239 HydrophobicContact CG-CD2 4.25Å; P213-W239 HydrophobicContact CG-CZ2 3.61Å; W239-F243 WeakPolarHBondContact O-CB 3.41Å; W239-F243 PolarHBondContact O-N 3.18Å; W239-L262 HydrophobicContact CE3-CD1 3.91Å; W239-L262 HydrophobicContact CH2-CD1 4.39Å; W239-L262 HydrophobicContact CZ3-CB 4.19Å; W239-L262 HydrophobicContact CZ3-CD1 3.59Å; W239-L262 HydrophobicContact CZ3-CD2 4.38Å; W239-L262 HydrophobicContact CZ3-CG 4.27Å; W239-V429 HydrophobicContact CH2-CG1 3.41Å; W239-V429 VanDerWaalsContact CH2-CG1 3.41Å; W239-V429 HydrophobicContact CZ2-CG1 3.75Å; W239-V429 HydrophobicContact CZ3-CG1 4.33Å; W239-L433 HydrophobicContact CH2-CD2 4.27Å; W239-L433 HydrophobicContact CZ3-CD1 4.28Å; W239-L433 HydrophobicContact CZ3-CD2 4.39Å
240	S	98.9	Very high	98.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70.5	-38	-178.6	-54.5	0	0	0	0	111.5	P119 D238 F243 T244 R259	P119-S240 WeakPolarHBondContact CD-OG 3.31Å; P119-S240 WeakPolarHBondContact CG-OG 3.3Å; D238-S240 VanDerWaalsContact C-N 3.33Å; D238-S240 PolarHBondContact O-N 3.28Å; D238-S240 PolarHBondContact OD1-N 3.1Å; S240-F243 WeakPolarHBondContact O-CB 3.14Å; S240-F243 PolarHBondContact O-N 3.36Å; S240-T244 PolarHBondContact O-N 3.18Å; S240-T244 PolarHBondContact O-OG1 3.41Å; S240-R259 VanDerWaalsContact CB-CG 3.42Å
241	H	98.9	Very high	98.2	Very high	51 Å²	51	43.8 Å²	43.8	24%	0.236	28%	0.279	C	S	.	.	H	α-helix	trans	-69.7	-42	177.3	-168.4	176.8	0	0	0	112.2	L237 D238 F243 T244 N245 T255	L237-H241 HydrophobicContact CB-CB 4.27Å; D238-H241 PolarHBondContact O-N 3.48Å; D238-H241 PolarHBondContact OD1-N 3.03Å; D238-H241 VanDerWaalsContact OD2-CB 3.27Å; D238-H241 WeakPolarHBondContact OD2-CB 3.32Å; H241-F243 PolarHBondContact O-N 3.22Å; H241-T244 PolarHBondContact O-N 3.3Å; H241-T244 PolarHBondContact O-OG1 2.71Å; H241-T244 VanDerWaalsContact O-OG1 3.12Å; H241-N245 PolarHBondContact CD2-ND2 3.38Å; H241-N245 WeakPolarHBondContact O-CB 3.3Å; H241-N245 VanDerWaalsContact O-CG 3.27Å; H241-N245 PolarHBondContact O-N 3Å; H241-T255 HydrophobicContact CB-CG2 3.71Å
242	N	98.9	Very high	98.3	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-56.9	-41.9	168.8	-90	-60.9	0	0	0	111	I233 D234 L237 D238 M246	I233-N242 HydrophobicContact CD1-CB 4.2Å; D234-N242 PolarHBondContact N-OD1 3.39Å; D234-N242 PolarHBondContact O-ND2 3.15Å; D234-N242 PolarHBondContact O-OD1 3.19Å; L237-N242 PolarHBondContact O-ND2 3.08Å; D238-N242 PolarHBondContact O-N 2.88Å; D238-N242 PolarHBondContact O-ND2 3.5Å; N242-M246 WeakPolarHBondContact O-CB 3.44Å; N242-M246 VanDerWaalsContact O-CG 3.29Å; N242-M246 WeakPolarHBondContact O-CG 3.18Å; N242-M246 PolarHBondContact O-N 3.47Å
243	F	98.9	Very high	98.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-47.3	179.4	-173.5	-149.4	0	0	0	113.1	P213 A216 A217 W239 S240 H241 N245 M246 L247 M258 L262 L426 V429	P213-F243 HydrophobicContact CB-CB 3.88Å; P213-F243 HydrophobicContact CB-CD2 3.55Å; P213-F243 HydrophobicContact CB-CE2 4.26Å; P213-F243 HydrophobicContact CB-CG 3.82Å; P213-F243 HydrophobicContact CG-CB 4.35Å; P213-F243 HydrophobicContact CG-CD2 4.49Å; P213-F243 HydrophobicContact CG-CG 4.38Å; A216-F243 HydrophobicContact CB-CE2 3.77Å; A216-F243 HydrophobicContact CB-CZ 3.88Å; A217-F243 HydrophobicContact CB-CD2 4.4Å; A217-F243 HydrophobicContact CB-CE2 4.25Å; W239-F243 WeakPolarHBondContact O-CB 3.41Å; W239-F243 PolarHBondContact O-N 3.18Å; S240-F243 WeakPolarHBondContact O-CB 3.14Å; S240-F243 PolarHBondContact O-N 3.36Å; H241-F243 PolarHBondContact O-N 3.22Å; F243-N245 PolarHBondContact O-N 3.43Å; F243-M246 PolarHBondContact O-N 2.88Å; F243-L247 HydrophobicContact CD1-CD1 4.21Å; F243-L247 HydrophobicContact CD2-CD1 3.95Å; F243-L247 HydrophobicContact CD2-CG 3.95Å; F243-L247 HydrophobicContact CE1-CD1 4.01Å; F243-L247 HydrophobicContact CE2-CD1 3.73Å; F243-L247 HydrophobicContact CE2-CD2 3.91Å; F243-L247 HydrophobicContact CE2-CG 3.72Å; F243-L247 HydrophobicContact CG-CD1 4.2Å; F243-L247 HydrophobicContact CZ-CD1 3.77Å; F243-L247 HydrophobicContact CZ-CD2 4.29Å; F243-L247 HydrophobicContact CZ-CG 4.23Å; F243-L247 VanDerWaalsContact O-CG 3.32Å; F243-L247 WeakPolarHBondContact O-CG 3.35Å; F243-L247 PolarHBondContact O-N 3.1Å; F243-M258 HydrophobicContact CD1-CG 4.06Å; F243-M258 HydrophobicContact CD1-SD 3.93Å; F243-M258 HydrophobicContact CE1-CE 4.37Å; F243-M258 HydrophobicContact CE1-SD 3.95Å; F243-L262 HydrophobicContact CD1-CD1 4.18Å; F243-L426 HydrophobicContact CE1-CD2 3.64Å; F243-L426 HydrophobicContact CZ-CD2 3.72Å; F243-V429 HydrophobicContact CE1-CG1 4.27Å; F243-V429 HydrophobicContact CZ-CG2 4.39Å
244	T	98.9	Very high	98.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-39	178.3	51.7	0	0	0	0	112.4	S240 H241 M246 L247 G248 Y249 F254 T255 M258	S240-T244 PolarHBondContact O-N 3.18Å; S240-T244 PolarHBondContact O-OG1 3.41Å; H241-T244 PolarHBondContact O-N 3.3Å; H241-T244 PolarHBondContact O-OG1 2.71Å; H241-T244 VanDerWaalsContact O-OG1 3.12Å; T244-M246 PolarHBondContact O-N 3.25Å; T244-L247 PolarHBondContact O-N 3.47Å; T244-G248 PolarHBondContact O-N 3.41Å; T244-Y249 CarbonylContact C-O 3.6Å; T244-Y249 PolarHBondContact O-N 2.94Å; T244-F254 HydrophobicContact CG2-CD1 3.68Å; T244-F254 HydrophobicContact CG2-CE1 3.83Å; T244-T255 PolarHBondContact OG1-OG1 3.06Å; T244-M258 HydrophobicContact CG2-CB 3.67Å; T244-M258 HydrophobicContact CG2-CE 4.43Å; T244-M258 HydrophobicContact CG2-CG 3.88Å
245	N	98.8	Very high	98.5	Very high	63 Å²	63	38.9 Å²	38.9	34%	0.337	23%	0.231	S	C	.	.	H	α-helix	trans	-58.8	-47.6	172.3	-74	-11.3	0	0	0	111.3	R221 L237 H241 F243 L247 G248	R221-N245 PolarHBondContact NH2-O 3.18Å; L237-N245 VanDerWaalsContact CD1-ND2 3.27Å; L237-N245 WeakPolarHBondContact CD1-ND2 3.37Å; H241-N245 PolarHBondContact CD2-ND2 3.38Å; H241-N245 WeakPolarHBondContact O-CB 3.3Å; H241-N245 VanDerWaalsContact O-CG 3.27Å; H241-N245 PolarHBondContact O-N 3Å; F243-N245 PolarHBondContact O-N 3.43Å; N245-L247 VanDerWaalsContact C-N 3.3Å; N245-L247 PolarHBondContact O-N 2.6Å; N245-G248 WeakPolarHBondContact O-CA 3.42Å; N245-G248 PolarHBondContact O-N 3.38Å
246	M	98.9	Very high	98.6	Very high	4 Å²	4	36 Å²	36	2%	0.02	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-32.7	177.3	-73.1	-169.7	-69.8	0	0	112.6	P213 C214 A217 R221 I230 I233 N242 F243 T244 G248	P213-M246 HydrophobicContact CB-CE 3.52Å; C214-M246 HydrophobicContact CB-SD 4.42Å; A217-M246 HydrophobicContact CB-CB 3.53Å; R221-M246 PolarHBondContact NE-O 2.89Å; R221-M246 PolarHBondContact NH2-O 3.02Å; I230-M246 HydrophobicContact CB-CB 4.14Å; I230-M246 HydrophobicContact CB-CG 4.26Å; I230-M246 HydrophobicContact CD1-SD 3.98Å; I230-M246 WeakPolarHBondContact O-CA 3.25Å; I230-M246 WeakPolarHBondContact O-CG 3.45Å; I233-M246 HydrophobicContact CD1-CE 3.6Å; I233-M246 HydrophobicContact CD1-SD 3.64Å; N242-M246 WeakPolarHBondContact O-CB 3.44Å; N242-M246 VanDerWaalsContact O-CG 3.29Å; N242-M246 WeakPolarHBondContact O-CG 3.18Å; N242-M246 PolarHBondContact O-N 3.47Å; F243-M246 PolarHBondContact O-N 2.88Å; T244-M246 PolarHBondContact O-N 3.25Å; M246-G248 PolarHBondContact O-N 3.31Å
247	L	98.8	Very high	98.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.6	-19.5	172.4	-70.8	167	0	0	0	113.1	A217 Y220 F243 T244 N245 Y249 M258 M417 Y422	A217-L247 HydrophobicContact CB-CD2 4.19Å; A217-L247 HydrophobicContact CB-CG 4.35Å; Y220-L247 HydrophobicContact CD1-CB 4.46Å; Y220-L247 HydrophobicContact CD1-CD2 3.72Å; Y220-L247 HydrophobicContact CD2-CD2 4.33Å; Y220-L247 HydrophobicContact CG-CD2 3.61Å; F243-L247 HydrophobicContact CD1-CD1 4.21Å; F243-L247 HydrophobicContact CD2-CD1 3.95Å; F243-L247 HydrophobicContact CD2-CG 3.95Å; F243-L247 HydrophobicContact CE1-CD1 4.01Å; F243-L247 HydrophobicContact CE2-CD1 3.73Å; F243-L247 HydrophobicContact CE2-CD2 3.91Å; F243-L247 HydrophobicContact CE2-CG 3.72Å; F243-L247 HydrophobicContact CG-CD1 4.2Å; F243-L247 HydrophobicContact CZ-CD1 3.77Å; F243-L247 HydrophobicContact CZ-CD2 4.29Å; F243-L247 HydrophobicContact CZ-CG 4.23Å; F243-L247 VanDerWaalsContact O-CG 3.32Å; F243-L247 WeakPolarHBondContact O-CG 3.35Å; F243-L247 PolarHBondContact O-N 3.1Å; T244-L247 PolarHBondContact O-N 3.47Å; N245-L247 VanDerWaalsContact C-N 3.3Å; N245-L247 PolarHBondContact O-N 2.6Å; L247-Y249 HydrophobicContact CB-CD2 3.72Å; L247-Y249 HydrophobicContact CB-CE2 4.14Å; L247-M258 HydrophobicContact CD1-CE 4.23Å; L247-M417 HydrophobicContact CD1-CE 4.14Å; L247-M417 HydrophobicContact CD2-CE 4.42Å; L247-Y422 HydrophobicContact CD2-CE1 4.19Å
248	G	98.6	Very high	98.7	Very high	48 Å²	48	28.1 Å²	28.1	50%	0.495	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	21.6	-179	0	0	0	0	0	114.6	T244 N245 M246	T244-G248 PolarHBondContact O-N 3.41Å; N245-G248 WeakPolarHBondContact O-CA 3.42Å; N245-G248 PolarHBondContact O-N 3.38Å; M246-G248 PolarHBondContact O-N 3.31Å
249	Y	98.6	Very high	98.7	Very high	24 Å²	24	28.1 Å²	28.1	9%	0.094	17%	0.166	C	C	.	.			trans	-103.8	131.5	176.1	-69	-99.6	0	0	0	110.1	Y220 R225 T244 L247 F254 Y415 G416 M417	Y220-Y249 AromaticContact CE1-CE2 3.9Å; Y220-Y249 HydrophobicContact CE1-CE2 3.9Å; Y220-Y249 PolarHBondContact OH-OH 3.5Å; R225-Y249 PolarHBondContact NH2-OH 3.31Å; T244-Y249 CarbonylContact C-O 3.6Å; T244-Y249 PolarHBondContact O-N 2.94Å; L247-Y249 HydrophobicContact CB-CD2 3.72Å; L247-Y249 HydrophobicContact CB-CE2 4.14Å; Y249-F254 AromaticContact CD1-CD1 3.65Å; Y249-F254 HydrophobicContact CD1-CD1 3.65Å; Y249-F254 AromaticContact CD1-CE1 3.72Å; Y249-F254 HydrophobicContact CD1-CE1 3.72Å; Y249-F254 HydrophobicContact CD1-CG 4.13Å; Y249-F254 HydrophobicContact CD1-CZ 4.26Å; Y249-F254 HydrophobicContact CD2-CD1 4.21Å; Y249-F254 AromaticContact CD2-CE1 3.68Å; Y249-F254 HydrophobicContact CD2-CE1 3.68Å; Y249-F254 HydrophobicContact CD2-CZ 4.43Å; Y249-F254 HydrophobicContact CE1-CE1 4.24Å; Y249-F254 HydrophobicContact CE1-CZ 4.36Å; Y249-F254 HydrophobicContact CE2-CE1 4.21Å; Y249-F254 AromaticContact CG-CD1 3.48Å; Y249-F254 HydrophobicContact CG-CD1 3.48Å; Y249-F254 VanDerWaalsContact CG-CD1 3.48Å; Y249-F254 AromaticContact CG-CE1 3.42Å; Y249-F254 HydrophobicContact CG-CE1 3.42Å; Y249-F254 VanDerWaalsContact CG-CE1 3.42Å; Y249-F254 HydrophobicContact CG-CG 4.38Å; Y249-F254 HydrophobicContact CG-CZ 4.3Å; Y249-Y415 VanDerWaalsContact CE1-O 3.25Å; Y249-Y415 WeakPolarHBondContact CE1-O 3.35Å; Y249-G416 VanDerWaalsContact OH-C 3.3Å; Y249-G416 PolarHBondContact OH-O 2.82Å; Y249-M417 HydrophobicContact CD2-CE 4.44Å; Y249-M417 HydrophobicContact CE2-CE 3.58Å; Y249-M417 VanDerWaalsContact OH-CA 3.24Å; Y249-M417 WeakPolarHBondContact OH-CA 3.45Å; Y249-M417 PolarHBondContact OH-N 3.42Å
250	S	97.5	Very high	98.7	Very high	112 Å²	112	27.5 Å²	27.5	78%	0.783	16%	0.164	S	C	*	.			trans	-114.5	-3.4	179.6	61.7	0	0	0	0	113.7	V252	S250-V252 PolarHBondContact O-N 2.99Å
251	D	98.4	Very high	98.7	Very high	76 Å²	76	27.7 Å²	27.7	41%	0.406	17%	0.165	S	C	.	.			trans	-69	120.3	176.5	-169.2	-32.7	0	0	0	109.6	Q253 F254 T255	D251-Q253 PolarHBondContact O-N 2.96Å; D251-Q253 WeakPolarHBondContact OD1-CB 3.36Å; D251-Q253 PolarHBondContact OD1-N 3.27Å; D251-F254 HydrophobicContact CB-CB 4.11Å; D251-F254 WeakPolarHBondContact O-CB 3.38Å; D251-F254 PolarHBondContact O-N 3.32Å; D251-T255 PolarHBondContact O-N 3.08Å; D251-T255 VanDerWaalsContact O-N 3.16Å
252	V	98.3	Very high	98.7	Very high	97 Å²	97	25.3 Å²	25.3	59%	0.588	15%	0.153	S	C	*	.	H	α-helix	trans	-58.1	-35.2	179.4	178.5	0	0	0	0	111.4	S250 T255 E256	S250-V252 PolarHBondContact O-N 2.99Å; V252-T255 WeakPolarHBondContact O-CB 3.26Å; V252-T255 PolarHBondContact O-N 3.38Å; V252-E256 PolarHBondContact O-N 3.11Å
253	Q	98.7	Very high	98.7	Very high	61 Å²	61	25 Å²	25	29%	0.285	15%	0.152	S	C	.	.	H	α-helix	trans	-74.1	-28	178.7	-55.7	-53.9	-49.5	0	0	112.2	D251 T255 E256 L257 F366 H370 Y415	D251-Q253 PolarHBondContact O-N 2.96Å; D251-Q253 WeakPolarHBondContact OD1-CB 3.36Å; D251-Q253 PolarHBondContact OD1-N 3.27Å; Q253-T255 VanDerWaalsContact C-N 3.33Å; Q253-E256 PolarHBondContact O-N 3.23Å; Q253-L257 WeakPolarHBondContact O-CB 3.36Å; Q253-L257 PolarHBondContact O-N 3.07Å; Q253-F366 WeakPolarHBondContact O-CZ 3.39Å; Q253-H370 PolarHBondContact OE1-CE1 2.93Å; Q253-H370 PolarHBondContact OE1-ND1 3.38Å; Q253-Y415 HydrophobicContact CB-CE1 3.72Å; Q253-Y415 WeakPolarHBondContact CB-OH 3.27Å
254	F	98.9	Very high	98.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.6	-35.5	169.9	-173.8	-112.9	0	0	0	111.7	T244 Y249 D251 L257 M258 L412 Y415 M417	T244-F254 HydrophobicContact CG2-CD1 3.68Å; T244-F254 HydrophobicContact CG2-CE1 3.83Å; Y249-F254 AromaticContact CD1-CD1 3.65Å; Y249-F254 HydrophobicContact CD1-CD1 3.65Å; Y249-F254 AromaticContact CD1-CE1 3.72Å; Y249-F254 HydrophobicContact CD1-CE1 3.72Å; Y249-F254 HydrophobicContact CD1-CG 4.13Å; Y249-F254 HydrophobicContact CD1-CZ 4.26Å; Y249-F254 HydrophobicContact CD2-CD1 4.21Å; Y249-F254 AromaticContact CD2-CE1 3.68Å; Y249-F254 HydrophobicContact CD2-CE1 3.68Å; Y249-F254 HydrophobicContact CD2-CZ 4.43Å; Y249-F254 HydrophobicContact CE1-CE1 4.24Å; Y249-F254 HydrophobicContact CE1-CZ 4.36Å; Y249-F254 HydrophobicContact CE2-CE1 4.21Å; Y249-F254 AromaticContact CG-CD1 3.48Å; Y249-F254 HydrophobicContact CG-CD1 3.48Å; Y249-F254 VanDerWaalsContact CG-CD1 3.48Å; Y249-F254 AromaticContact CG-CE1 3.42Å; Y249-F254 HydrophobicContact CG-CE1 3.42Å; Y249-F254 VanDerWaalsContact CG-CE1 3.42Å; Y249-F254 HydrophobicContact CG-CG 4.38Å; Y249-F254 HydrophobicContact CG-CZ 4.3Å; D251-F254 HydrophobicContact CB-CB 4.11Å; D251-F254 WeakPolarHBondContact O-CB 3.38Å; D251-F254 PolarHBondContact O-N 3.32Å; F254-L257 HydrophobicContact CD2-CD2 4.04Å; F254-L257 HydrophobicContact CE2-CD2 4.22Å; F254-L257 WeakPolarHBondContact O-CB 3.43Å; F254-L257 PolarHBondContact O-N 3.35Å; F254-M258 HydrophobicContact CE1-CE 4.06Å; F254-M258 HydrophobicContact CZ-CE 3.81Å; F254-M258 WeakPolarHBondContact O-CB 3.16Å; F254-M258 PolarHBondContact O-N 2.64Å; F254-L412 HydrophobicContact CE2-CD2 4.29Å; F254-Y415 HydrophobicContact CB-CD1 3.92Å; F254-Y415 HydrophobicContact CB-CD2 4.49Å; F254-Y415 HydrophobicContact CB-CG 3.91Å; F254-Y415 HydrophobicContact CD2-CD1 4.49Å; F254-Y415 AromaticContact CD2-CD2 3.85Å; F254-Y415 HydrophobicContact CD2-CD2 3.85Å; F254-Y415 AromaticContact CD2-CG 3.63Å; F254-Y415 HydrophobicContact CD2-CG 3.63Å; F254-Y415 HydrophobicContact CG-CG 4.2Å; F254-M417 HydrophobicContact CE2-CB 4.19Å; F254-M417 HydrophobicContact CZ-CB 4.11Å; F254-M417 HydrophobicContact CZ-CE 4.03Å
255	T	98.9	Very high	98.7	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-42.2	172	-60.9	0	0	0	0	111.8	H241 T244 D251 V252 Q253 M258 R259	H241-T255 HydrophobicContact CB-CG2 3.71Å; T244-T255 PolarHBondContact OG1-OG1 3.06Å; D251-T255 PolarHBondContact O-N 3.08Å; D251-T255 VanDerWaalsContact O-N 3.16Å; V252-T255 WeakPolarHBondContact O-CB 3.26Å; V252-T255 PolarHBondContact O-N 3.38Å; Q253-T255 VanDerWaalsContact C-N 3.33Å; T255-M258 PolarHBondContact O-N 2.8Å; T255-R259 WeakPolarHBondContact O-CG 3.26Å; T255-R259 PolarHBondContact O-N 3.26Å
256	E	98.9	Very high	98.7	Very high	9 Å²	9	22.1 Å²	22.1	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-44.2	172.1	-74.1	-72.7	95.7	0	0	112.1	A115 E116 V252 Q253 M258 R259 L260 F366	A115-E256 PolarHBondContact N-OE2 2.91Å; E116-E256 HydrophobicContact CG-CB 4.19Å; E116-E256 PolarHBondContact N-OE2 3.18Å; V252-E256 PolarHBondContact O-N 3.11Å; Q253-E256 PolarHBondContact O-N 3.23Å; E256-M258 VanDerWaalsContact C-N 3.28Å; E256-M258 PolarHBondContact O-N 2.91Å; E256-R259 PolarHBondContact O-N 3.23Å; E256-R259 WeakPolarHBondContact OE1-CD 3.44Å; E256-R259 IonicContact OE1-CZ 3.6Å; E256-R259 IonicContact OE1-NE 2.67Å; E256-R259 IonicContact OE1-NH1 2.99Å; E256-R259 PolarHBondContact OE1-NH1 3.27Å; E256-L260 PolarHBondContact O-N 3.48Å; E256-F366 HydrophobicContact CB-CE2 3.97Å; E256-F366 HydrophobicContact CB-CZ 4.44Å
257	L	98.9	Very high	98.7	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-57.4	-43.8	173.6	174	61.3	0	0	0	111.1	Q253 F254 L260 Y261 F366 L411 L412 Y415	Q253-L257 WeakPolarHBondContact O-CB 3.36Å; Q253-L257 PolarHBondContact O-N 3.07Å; F254-L257 HydrophobicContact CD2-CD2 4.04Å; F254-L257 HydrophobicContact CE2-CD2 4.22Å; F254-L257 WeakPolarHBondContact O-CB 3.43Å; F254-L257 PolarHBondContact O-N 3.35Å; L257-L260 PolarHBondContact O-N 3.01Å; L257-Y261 WeakPolarHBondContact O-CB 3.39Å; L257-Y261 PolarHBondContact O-N 2.99Å; L257-F366 HydrophobicContact CB-CE1 4.01Å; L257-F366 HydrophobicContact CB-CE2 4.38Å; L257-F366 HydrophobicContact CB-CZ 3.75Å; L257-F366 HydrophobicContact CD1-CD1 4.33Å; L257-F366 HydrophobicContact CD1-CE1 4.23Å; L257-L411 HydrophobicContact CD1-CB 3.81Å; L257-L411 HydrophobicContact CD1-CD1 3.6Å; L257-L411 HydrophobicContact CD1-CG 4.3Å; L257-L411 HydrophobicContact CD2-CB 3.76Å; L257-L411 HydrophobicContact CG-CB 4.46Å; L257-L412 HydrophobicContact CD2-CD2 4.31Å; L257-Y415 HydrophobicContact CB-CE2 4.4Å; L257-Y415 HydrophobicContact CD2-CD2 3.59Å; L257-Y415 HydrophobicContact CD2-CE2 3.89Å
258	M	98.9	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-41.2	-179.8	-168.5	58.7	65.4	0	0	111.6	F243 T244 L247 F254 T255 E256 L260 Y261 L262 L426	F243-M258 HydrophobicContact CD1-CG 4.06Å; F243-M258 HydrophobicContact CD1-SD 3.93Å; F243-M258 HydrophobicContact CE1-CE 4.37Å; F243-M258 HydrophobicContact CE1-SD 3.95Å; T244-M258 HydrophobicContact CG2-CB 3.67Å; T244-M258 HydrophobicContact CG2-CE 4.43Å; T244-M258 HydrophobicContact CG2-CG 3.88Å; L247-M258 HydrophobicContact CD1-CE 4.23Å; F254-M258 HydrophobicContact CE1-CE 4.06Å; F254-M258 HydrophobicContact CZ-CE 3.81Å; F254-M258 WeakPolarHBondContact O-CB 3.16Å; F254-M258 PolarHBondContact O-N 2.64Å; T255-M258 PolarHBondContact O-N 2.8Å; E256-M258 VanDerWaalsContact C-N 3.28Å; E256-M258 PolarHBondContact O-N 2.91Å; M258-L260 PolarHBondContact O-N 2.91Å; M258-Y261 PolarHBondContact O-N 2.67Å; M258-L262 HydrophobicContact CG-CD1 3.65Å; M258-L262 HydrophobicContact CG-CG 4.11Å; M258-L262 VanDerWaalsContact O-CB 3.3Å; M258-L262 WeakPolarHBondContact O-CB 3.49Å; M258-L262 WeakPolarHBondContact O-CG 3.34Å; M258-L262 PolarHBondContact O-N 2.93Å; M258-L262 HydrophobicContact SD-CD1 3.87Å; M258-L262 HydrophobicContact SD-CD2 4.18Å; M258-L262 HydrophobicContact SD-CG 3.82Å; M258-L426 HydrophobicContact CE-CD1 4.44Å; M258-L426 HydrophobicContact CE-CD2 3.95Å; M258-L426 HydrophobicContact SD-CD2 4.33Å
259	R	98.9	Very high	98.7	Very high	16 Å²	16	24.2 Å²	24.2	6%	0.06	13%	0.133	C	C	.	.	H	α-helix	trans	-57.9	-48.1	173.9	-70.8	167.9	179.4	149.1	1.1	111.6	E116 L118 D238 S240 T255 E256 T263	E116-R259 HydrophobicContact CB-CB 4.22Å; L118-R259 HydrophobicContact CD2-CG 4.07Å; D238-R259 IonicContact OD1-CZ 2.67Å; D238-R259 IonicContact OD1-NE 3.55Å; D238-R259 PolarHBondContact OD1-NE 3.15Å; D238-R259 IonicContact OD1-NH2 3.22Å; D238-R259 IonicContact OD2-CZ 3.5Å; D238-R259 IonicContact OD2-NE 2.63Å; D238-R259 IonicContact OD2-NH2 3.53Å; D238-R259 PolarHBondContact OD2-NH2 3.49Å; S240-R259 VanDerWaalsContact CB-CG 3.42Å; T255-R259 WeakPolarHBondContact O-CG 3.26Å; T255-R259 PolarHBondContact O-N 3.26Å; E256-R259 PolarHBondContact O-N 3.23Å; E256-R259 WeakPolarHBondContact OE1-CD 3.44Å; E256-R259 IonicContact OE1-CZ 3.6Å; E256-R259 IonicContact OE1-NE 2.67Å; E256-R259 IonicContact OE1-NH1 2.99Å; E256-R259 PolarHBondContact OE1-NH1 3.27Å; R259-T263 WeakPolarHBondContact O-CB 3.2Å; R259-T263 PolarHBondContact O-N 3.21Å; R259-T263 VanDerWaalsContact O-N 3.15Å; R259-T263 PolarHBondContact O-OG1 3.29Å
260	L	98.9	Very high	98.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-50.1	176.7	177.8	60.1	0	0	0	111.5	E116 E256 L257 M258 L262 T263 I264 C362 F366	E116-L260 HydrophobicContact CB-CB 4.14Å; E116-L260 HydrophobicContact CG-CB 3.98Å; E116-L260 WeakPolarHBondContact OE2-CD1 3.14Å; E256-L260 PolarHBondContact O-N 3.48Å; L257-L260 PolarHBondContact O-N 3.01Å; M258-L260 PolarHBondContact O-N 2.91Å; L260-L262 PolarHBondContact O-N 2.87Å; L260-T263 PolarHBondContact O-N 3.36Å; L260-T263 VanDerWaalsContact O-N 3.16Å; L260-I264 HydrophobicContact CD1-CG2 3.71Å; L260-I264 HydrophobicContact CG-CD1 4.39Å; L260-I264 WeakPolarHBondContact O-CG1 3.44Å; L260-I264 WeakPolarHBondContact O-CG2 3.42Å; L260-I264 PolarHBondContact O-N 3.34Å; L260-C362 HydrophobicContact CD1-CB 4.38Å; L260-F366 HydrophobicContact CD2-CB 4.03Å; L260-F366 HydrophobicContact CD2-CD2 4.17Å; L260-F366 HydrophobicContact CD2-CG 4.31Å
261	Y	98.9	Very high	98.7	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-57.1	-49.6	-177.7	-178.5	-81.9	0	0	0	111.5	L257 M258 T263 I264 H265 L412 L426	L257-Y261 WeakPolarHBondContact O-CB 3.39Å; L257-Y261 PolarHBondContact O-N 2.99Å; M258-Y261 PolarHBondContact O-N 2.67Å; Y261-T263 VanDerWaalsContact C-N 3.27Å; Y261-T263 PolarHBondContact O-N 2.92Å; Y261-I264 PolarHBondContact O-N 3.17Å; Y261-H265 AromaticContact CD2-CE1 3.57Å; Y261-H265 AromaticContact CD2-ND1 3.79Å; Y261-H265 AromaticContact CE2-CE1 3.49Å; Y261-H265 VanDerWaalsContact CE2-CE1 3.49Å; Y261-H265 WeakPolarHBondContact CE2-CE1 3.16Å; Y261-H265 AromaticContact CE2-ND1 3.84Å; Y261-H265 AromaticContact CG-ND1 3.89Å; Y261-H265 AromaticContact CZ-CE1 4Å; Y261-H265 AromaticContact CZ-ND1 3.99Å; Y261-H265 PolarHBondContact O-N 3Å; Y261-H265 PolarHBondContact O-ND1 3.31Å; Y261-L412 HydrophobicContact CE2-CD1 4.33Å; Y261-L426 HydrophobicContact CD1-CB 4.44Å; Y261-L426 HydrophobicContact CE1-CB 3.62Å
262	L	98.9	Very high	98.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.6	-29.1	-179.1	-66.2	174.1	0	0	0	112.2	P119 W239 F243 M258 L260 V429 S430	P119-L262 HydrophobicContact CB-CB 4.28Å; P119-L262 HydrophobicContact CG-CB 3.69Å; W239-L262 HydrophobicContact CE3-CD1 3.91Å; W239-L262 HydrophobicContact CH2-CD1 4.39Å; W239-L262 HydrophobicContact CZ3-CB 4.19Å; W239-L262 HydrophobicContact CZ3-CD1 3.59Å; W239-L262 HydrophobicContact CZ3-CD2 4.38Å; W239-L262 HydrophobicContact CZ3-CG 4.27Å; F243-L262 HydrophobicContact CD1-CD1 4.18Å; M258-L262 HydrophobicContact CG-CD1 3.65Å; M258-L262 HydrophobicContact CG-CG 4.11Å; M258-L262 VanDerWaalsContact O-CB 3.3Å; M258-L262 WeakPolarHBondContact O-CB 3.49Å; M258-L262 WeakPolarHBondContact O-CG 3.34Å; M258-L262 PolarHBondContact O-N 2.93Å; M258-L262 HydrophobicContact SD-CD1 3.87Å; M258-L262 HydrophobicContact SD-CD2 4.18Å; M258-L262 HydrophobicContact SD-CG 3.82Å; L260-L262 PolarHBondContact O-N 2.87Å; L262-V429 HydrophobicContact CD2-CB 4.3Å; L262-V429 HydrophobicContact CD2-CG1 3.92Å; L262-S430 WeakPolarHBondContact CA-OG 3.46Å; L262-S430 PolarHBondContact O-OG 3.49Å
263	T	98.9	Very high	98.7	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-72	-46.7	174.8	-66.2	0	0	0	0	112.2	P117 L122 R259 L260 Y261 S266	P117-T263 HydrophobicContact CB-CG2 4.36Å; P117-T263 HydrophobicContact CG-CG2 3.89Å; P117-T263 PolarHBondContact O-OG1 2.9Å; L122-T263 HydrophobicContact CB-CG2 4.08Å; L122-T263 HydrophobicContact CG-CG2 4.11Å; R259-T263 WeakPolarHBondContact O-CB 3.2Å; R259-T263 PolarHBondContact O-N 3.21Å; R259-T263 VanDerWaalsContact O-N 3.15Å; R259-T263 PolarHBondContact O-OG1 3.29Å; L260-T263 PolarHBondContact O-N 3.36Å; L260-T263 VanDerWaalsContact O-N 3.16Å; Y261-T263 VanDerWaalsContact C-N 3.27Å; Y261-T263 PolarHBondContact O-N 2.92Å; T263-S266 VanDerWaalsContact O-CB 3.26Å; T263-S266 WeakPolarHBondContact O-CB 3.35Å; T263-S266 PolarHBondContact O-OG 3.25Å
264	I	98.8	Very high	98.7	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-84.2	-19.3	-169.6	69.3	-178.4	0	0	0	114.6	I101 L260 Y261 R359 Q363 V404	I101-I264 HydrophobicContact CD1-CG2 4.39Å; I101-I264 HydrophobicContact CG2-CG2 4.22Å; L260-I264 HydrophobicContact CD1-CG2 3.71Å; L260-I264 HydrophobicContact CG-CD1 4.39Å; L260-I264 WeakPolarHBondContact O-CG1 3.44Å; L260-I264 WeakPolarHBondContact O-CG2 3.42Å; L260-I264 PolarHBondContact O-N 3.34Å; Y261-I264 PolarHBondContact O-N 3.17Å; I264-R359 HydrophobicContact CB-CB 4.42Å; I264-R359 HydrophobicContact CB-CG 4.17Å; I264-R359 HydrophobicContact CD1-CB 4.32Å; I264-R359 WeakPolarHBondContact O-CD 3.23Å; I264-Q363 HydrophobicContact CD1-CG 3.7Å; I264-V404 HydrophobicContact CD1-CG2 4.16Å
265	H	98.9	Very high	98.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.6	174.9	-63.2	84.9	0	0	0	113.1	Y261 D267 V404 F427 S430 R431	Y261-H265 AromaticContact CD2-CE1 3.57Å; Y261-H265 AromaticContact CD2-ND1 3.79Å; Y261-H265 AromaticContact CE2-CE1 3.49Å; Y261-H265 VanDerWaalsContact CE2-CE1 3.49Å; Y261-H265 WeakPolarHBondContact CE2-CE1 3.16Å; Y261-H265 AromaticContact CE2-ND1 3.84Å; Y261-H265 AromaticContact CG-ND1 3.89Å; Y261-H265 AromaticContact CZ-CE1 4Å; Y261-H265 AromaticContact CZ-ND1 3.99Å; Y261-H265 PolarHBondContact O-N 3Å; Y261-H265 PolarHBondContact O-ND1 3.31Å; H265-D267 VanDerWaalsContact C-N 3.3Å; H265-D267 PolarHBondContact O-N 3.27Å; H265-V404 WeakPolarHBondContact NE2-CG2 3.35Å; H265-F427 HydrophobicContact CB-CD2 3.98Å; H265-F427 HydrophobicContact CB-CE2 4.13Å; H265-S430 WeakPolarHBondContact CA-OG 3.48Å; H265-S430 VanDerWaalsContact CB-OG 3.26Å; H265-S430 WeakPolarHBondContact CB-OG 3.32Å; H265-R431 PolarHBondContact O-NE 3.23Å
266	S	98.9	Very high	98.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-58.5	-38.3	-168.1	56.3	0	0	0	0	113.9	L122 T263 S430 R431 G434	L122-S266 VanDerWaalsContact CD1-CB 3.48Å; L122-S266 VanDerWaalsContact CD1-OG 3.32Å; L122-S266 WeakPolarHBondContact CD1-OG 3.43Å; T263-S266 VanDerWaalsContact O-CB 3.26Å; T263-S266 WeakPolarHBondContact O-CB 3.35Å; T263-S266 PolarHBondContact O-OG 3.25Å; S266-S430 WeakPolarHBondContact CA-O 3.49Å; S266-S430 WeakPolarHBondContact CA-OG 3.44Å; S266-S430 PolarHBondContact N-OG 2.85Å; S266-R431 WeakPolarHBondContact O-CA 3.44Å; S266-G434 WeakPolarHBondContact O-CA 3.39Å; S266-G434 PolarHBondContact O-N 3.12Å; S266-G434 VanDerWaalsContact O-N 3.08Å
267	D	98.9	Very high	98.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.107	C	C	.	.			trans	-156.3	151.6	-176.7	-155.1	29.5	0	0	0	111.7	Y83 T85 S86 F96 L126 H265	Y83-D267 WeakPolarHBondContact CE1-OD1 3.44Å; Y83-D267 WeakPolarHBondContact CE1-OD2 3.44Å; Y83-D267 PolarHBondContact OH-OD1 3.44Å; T85-D267 VanDerWaalsContact CB-OD2 3.26Å; T85-D267 WeakPolarHBondContact CB-OD2 3.33Å; T85-D267 PolarHBondContact OG1-OD2 3.07Å; S86-D267 VanDerWaalsContact CB-OD2 3.26Å; S86-D267 WeakPolarHBondContact CB-OD2 3.32Å; S86-D267 PolarHBondContact N-OD2 3.35Å; S86-D267 PolarHBondContact OG-OD2 3.21Å; F96-D267 HydrophobicContact CD1-CB 4.43Å; F96-D267 HydrophobicContact CE1-CB 4.1Å; F96-D267 WeakPolarHBondContact CE1-O 3.23Å; L126-D267 HydrophobicContact CD1-CB 4.19Å; H265-D267 VanDerWaalsContact C-N 3.3Å; H265-D267 PolarHBondContact O-N 3.27Å
268	H	98.3	Very high	98.8	Very high	28 Å²	28	17.8 Å²	17.8	13%	0.13	11%	0.108	C	C	.	.			trans	-160.3	71.9	174.1	-166.4	-66.7	0	0	0	111	I94 N272	I94-H268 HydrophobicContact CD1-CB 4.45Å; H268-N272 PolarHBondContact O-ND2 2.97Å
269	E	98.6	Very high	98.8	Very high	69 Å²	69	18.6 Å²	18.6	32%	0.322	11%	0.111	S	C	.	.			trans	57.1	-178	-172.7	-48.7	-170.6	129.5	0	0	113.3	S86 L88 I94 N272	S86-E269 PolarHBondContact OG-N 3.38Å; L88-E269 HydrophobicContact CB-CG 4.25Å; L88-E269 WeakPolarHBondContact CB-OE1 3.34Å; L88-E269 PolarHBondContact N-OE1 2.76Å; I94-E269 HydrophobicContact CD1-CG 4.1Å; E269-N272 PolarHBondContact O-ND2 3.02Å
270	G	98.5	Very high	98.8	Very high	4 Å²	4	21.3 Å²	21.3	4%	0.041	13%	0.126	C	C	.	.	S	Bend	trans	-96.5	-9.2	-179.6	0	0	0	0	0	115.7	Y83 H276	Y83-G270 VanDerWaalsContact CG-CA 3.42Å; G270-H276 WeakPolarHBondContact O-CA 3.29Å; G270-H276 WeakPolarHBondContact O-CB 3.25Å; G270-H276 PolarHBondContact O-N 2.73Å
271	G	97.9	Very high	98.8	Very high	57 Å²	57	23.1 Å²	23.1	59%	0.588	14%	0.138	S	C	*	.			trans	-81.9	-12.5	-172.4	0	0	0	0	0	115.1
272	N	98.3	Very high	98.8	Very high	28 Å²	28	23 Å²	23	15%	0.15	14%	0.137	C	C	.	.	S	Bend	trans	-74.2	150.7	174.9	69.1	81.9	0	0	0	110.4	H268 E269 S274 A275 H276 H304 R431	H268-N272 PolarHBondContact O-ND2 2.97Å; E269-N272 PolarHBondContact O-ND2 3.02Å; N272-S274 VanDerWaalsContact C-N 3.32Å; N272-S274 PolarHBondContact O-N 3.06Å; N272-S274 PolarHBondContact OD1-OG 3.05Å; N272-S274 VanDerWaalsContact OD1-OG 3.06Å; N272-A275 PolarHBondContact O-N 3.41Å; N272-A275 WeakPolarHBondContact OD1-CB 3.48Å; N272-A275 PolarHBondContact OD1-N 2.77Å; N272-H276 WeakPolarHBondContact O-CB 3.44Å; N272-H276 PolarHBondContact O-N 3.34Å; N272-H304 PolarHBondContact OD1-NE2 3.26Å; N272-R431 PolarHBondContact OD1-NH1 3.35Å
273	V	98.7	Very high	98.7	Very high	76 Å²	76	23.2 Å²	23.2	46%	0.461	14%	0.139	S	C	.	.	H	α-helix	trans	-56.6	-42.2	-168.4	175.4	0	0	0	0	112.6	T277	V273-T277 WeakPolarHBondContact O-CB 3.48Å; V273-T277 PolarHBondContact O-N 3.07Å; V273-T277 PolarHBondContact O-OG1 3.06Å
274	S	98.8	Very high	98.7	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.1	-45.4	-179	58.6	0	0	0	0	112.8	N272 T277 S278 A295 H304 R431	N272-S274 VanDerWaalsContact C-N 3.32Å; N272-S274 PolarHBondContact O-N 3.06Å; N272-S274 PolarHBondContact OD1-OG 3.05Å; N272-S274 VanDerWaalsContact OD1-OG 3.06Å; S274-T277 PolarHBondContact O-N 3.28Å; S274-S278 PolarHBondContact O-N 3.29Å; S274-A295 WeakPolarHBondContact CB-O 3.21Å; S274-A295 WeakPolarHBondContact O-CB 3.41Å; S274-H304 PolarHBondContact N-NE2 2.82Å; S274-H304 PolarHBondContact OG-NE2 3.46Å; S274-R431 PolarHBondContact OG-NH1 2.86Å; S274-R431 VanDerWaalsContact OG-NH1 3.09Å
275	A	98.9	Very high	98.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-45.1	176.1	0	0	0	0	0	112.1	Y83 N272 T277 S278 H279 V435	Y83-A275 HydrophobicContact CE2-CB 4.09Å; N272-A275 PolarHBondContact O-N 3.41Å; N272-A275 WeakPolarHBondContact OD1-CB 3.48Å; N272-A275 PolarHBondContact OD1-N 2.77Å; A275-T277 PolarHBondContact O-N 3.46Å; A275-S278 PolarHBondContact O-N 3.25Å; A275-H279 PolarHBondContact O-N 3.5Å; A275-V435 HydrophobicContact CB-CG1 3.92Å
276	H	98.9	Very high	98.7	Very high	49 Å²	49	30 Å²	30	23%	0.227	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-42	177.9	-171.8	-167.6	0	0	0	111.4	G270 N272 S278 H279 L280 E450	G270-H276 WeakPolarHBondContact O-CA 3.29Å; G270-H276 WeakPolarHBondContact O-CB 3.25Å; G270-H276 PolarHBondContact O-N 2.73Å; N272-H276 WeakPolarHBondContact O-CB 3.44Å; N272-H276 PolarHBondContact O-N 3.34Å; H276-S278 PolarHBondContact O-N 3.42Å; H276-H279 WeakPolarHBondContact O-CB 3.47Å; H276-H279 PolarHBondContact O-N 3.29Å; H276-L280 VanDerWaalsContact O-CB 3.27Å; H276-L280 WeakPolarHBondContact O-CB 3.43Å; H276-L280 PolarHBondContact O-N 3.44Å; H276-E450 IonicContact CD2-OE1 2.71Å; H276-E450 IonicContact CD2-OE2 2.79Å; H276-E450 IonicContact CE1-OE1 3.43Å; H276-E450 VanDerWaalsContact NE2-CD 3.35Å; H276-E450 IonicContact NE2-OE1 3.27Å; H276-E450 PolarHBondContact NE2-OE1 3.05Å; H276-E450 IonicContact NE2-OE2 3.32Å; H276-E450 PolarHBondContact NE2-OE2 2.99Å
277	T	98.9	Very high	98.7	Very high	34 Å²	34	30.3 Å²	30.3	21%	0.209	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-42.8	178.7	-59.6	0	0	0	0	111.6	V273 S274 A275 H279 L280 V281 A294	V273-T277 WeakPolarHBondContact O-CB 3.48Å; V273-T277 PolarHBondContact O-N 3.07Å; V273-T277 PolarHBondContact O-OG1 3.06Å; S274-T277 PolarHBondContact O-N 3.28Å; A275-T277 PolarHBondContact O-N 3.46Å; T277-H279 VanDerWaalsContact C-N 3.32Å; T277-H279 PolarHBondContact O-N 2.95Å; T277-L280 PolarHBondContact O-N 3.18Å; T277-V281 HydrophobicContact CG2-CG2 4.33Å; T277-V281 WeakPolarHBondContact O-CB 3.45Å; T277-V281 WeakPolarHBondContact O-CG2 3.47Å; T277-V281 PolarHBondContact O-N 2.89Å; T277-A294 HydrophobicContact CG2-CB 3.78Å; T277-A294 WeakPolarHBondContact CG2-O 3.29Å
278	S	98.9	Very high	98.7	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-45.8	173.5	-176.4	0	0	0	0	111.4	S274 A275 H276 G282	S274-S278 PolarHBondContact O-N 3.29Å; A275-S278 PolarHBondContact O-N 3.25Å; H276-S278 PolarHBondContact O-N 3.42Å; S278-G282 PolarHBondContact O-N 3.39Å
279	H	98.9	Very high	98.8	Very high	17 Å²	17	29 Å²	29	8%	0.079	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-48.1	177.6	-173.4	91.4	0	0	0	112.4	A275 H276 T277 G282 S283 F447 E450	A275-H279 PolarHBondContact O-N 3.5Å; H276-H279 WeakPolarHBondContact O-CB 3.47Å; H276-H279 PolarHBondContact O-N 3.29Å; T277-H279 VanDerWaalsContact C-N 3.32Å; T277-H279 PolarHBondContact O-N 2.95Å; H279-G282 PolarHBondContact O-N 2.91Å; H279-S283 WeakPolarHBondContact O-CB 3.47Å; H279-S283 PolarHBondContact O-N 3.2Å; H279-F447 AromaticContact CE1-CD2 3.84Å; H279-E450 IonicContact CD2-OE2 3.03Å; H279-E450 PolarHBondContact CD2-OE2 3.42Å
280	L	98.9	Very high	98.8	Very high	72 Å²	72	28.4 Å²	28.4	38%	0.377	18%	0.18	S	C	.	.	H	α-helix	trans	-60.9	-52.7	-178.1	172.4	60.2	0	0	0	111	H276 T277 S283 E450	H276-L280 VanDerWaalsContact O-CB 3.27Å; H276-L280 WeakPolarHBondContact O-CB 3.43Å; H276-L280 PolarHBondContact O-N 3.44Å; T277-L280 PolarHBondContact O-N 3.18Å; L280-S283 WeakPolarHBondContact O-CB 3.21Å; L280-S283 PolarHBondContact O-N 3.32Å; L280-S283 PolarHBondContact O-OG 3.43Å; L280-E450 HydrophobicContact CD1-CB 3.91Å; L280-E450 HydrophobicContact CD1-CG 4.21Å
281	V	98.9	Very high	98.8	Very high	39 Å²	39	28.2 Å²	28.2	24%	0.236	18%	0.178	C	C	.	.	H	α-helix	trans	-64.1	-44.4	178.9	174.2	0	0	0	0	110.5	T277 S283 A284 A294	T277-V281 HydrophobicContact CG2-CG2 4.33Å; T277-V281 WeakPolarHBondContact O-CB 3.45Å; T277-V281 WeakPolarHBondContact O-CG2 3.47Å; T277-V281 PolarHBondContact O-N 2.89Å; V281-S283 PolarHBondContact O-N 3.01Å; V281-A284 WeakPolarHBondContact O-CB 3.2Å; V281-A284 PolarHBondContact O-N 3.35Å; V281-A284 VanDerWaalsContact O-N 3.12Å; V281-A294 HydrophobicContact CG2-CB 3.81Å
282	G	98.9	Very high	98.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-25.9	176	0	0	0	0	0	113.9	S278 H279 A284 L285 S291 R443	S278-G282 PolarHBondContact O-N 3.39Å; H279-G282 PolarHBondContact O-N 2.91Å; G282-A284 PolarHBondContact O-N 3.05Å; G282-L285 WeakPolarHBondContact O-CA 3.33Å; G282-L285 PolarHBondContact O-N 3.5Å; G282-S291 WeakPolarHBondContact CA-OG 3.24Å; G282-S291 PolarHBondContact N-OG 2.99Å; G282-R443 PolarHBondContact O-NH1 3.16Å
283	S	98.9	Very high	98.9	Very high	5 Å²	5	24.3 Å²	24.3	4%	0.035	14%	0.144	C	C	.	.	H	α-helix	trans	-67.4	-23.6	176.7	83.3	0	0	0	0	112.8	H279 L280 V281 L285 L449 E450	H279-S283 WeakPolarHBondContact O-CB 3.47Å; H279-S283 PolarHBondContact O-N 3.2Å; L280-S283 WeakPolarHBondContact O-CB 3.21Å; L280-S283 PolarHBondContact O-N 3.32Å; L280-S283 PolarHBondContact O-OG 3.43Å; V281-S283 PolarHBondContact O-N 3.01Å; S283-L285 PolarHBondContact O-N 3.47Å; S283-L449 WeakPolarHBondContact O-CA 3.47Å; S283-E450 PolarHBondContact OG-N 2.73Å
284	A	98.8	Very high	98.9	Very high	61 Å²	61	22 Å²	22	50%	0.504	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	7.7	170.9	0	0	0	0	0	113.2	V281 G282 S286 L449	V281-A284 WeakPolarHBondContact O-CB 3.2Å; V281-A284 PolarHBondContact O-N 3.35Å; V281-A284 VanDerWaalsContact O-N 3.12Å; G282-A284 PolarHBondContact O-N 3.05Å; A284-S286 VanDerWaalsContact C-N 3.26Å; A284-S286 PolarHBondContact O-N 3.04Å; A284-L449 HydrophobicContact CB-CD1 3.93Å
285	L	98.8	Very high	98.9	Very high	50 Å²	50	22 Å²	22	26%	0.262	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	26.6	-175.7	-51.3	178.3	0	0	0	113.7	F184 Y188 Y197 G282 S283	F184-L285 HydrophobicContact CE1-CB 4.46Å; F184-L285 WeakPolarHBondContact CE1-O 3.29Å; F184-L285 HydrophobicContact CZ-CB 4.41Å; Y188-L285 HydrophobicContact CD2-CD1 4.43Å; Y188-L285 HydrophobicContact CE2-CD1 3.54Å; Y197-L285 HydrophobicContact CD2-CD2 4.25Å; Y197-L285 HydrophobicContact CE2-CD1 3.98Å; Y197-L285 HydrophobicContact CE2-CD2 4.31Å; G282-L285 WeakPolarHBondContact O-CA 3.33Å; G282-L285 PolarHBondContact O-N 3.5Å; S283-L285 PolarHBondContact O-N 3.47Å
286	S	98.9	Very high	98.9	Very high	38 Å²	38	21.9 Å²	21.9	27%	0.266	13%	0.133	S	C	.	.			trans	-66.1	143.3	158.6	-61.6	0	0	0	0	109.8	A284 S291	A284-S286 VanDerWaalsContact C-N 3.26Å; A284-S286 PolarHBondContact O-N 3.04Å; S286-S291 PolarHBondContact O-OG 3.15Å
287	D	98.9	Very high	98.9	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.032	15%	0.146	C	C	.	.			trans	-67.3	168.8	178.2	59.1	92	0	0	0	112.9	N179 S182 F184 Y289 L290 S291	N179-D287 PolarHBondContact ND2-OD1 2.9Å; N179-D287 PolarHBondContact ND2-OD2 3.3Å; S182-D287 WeakPolarHBondContact OG-CB 3.49Å; F184-D287 HydrophobicContact CB-CB 4.41Å; F184-D287 HydrophobicContact CD1-CB 3.93Å; D287-Y289 VanDerWaalsContact C-N 3.3Å; D287-Y289 PolarHBondContact O-N 3.06Å; D287-Y289 VanDerWaalsContact OD1-CB 3.3Å; D287-Y289 WeakPolarHBondContact OD1-CB 3.47Å; D287-Y289 PolarHBondContact OD1-N 3.21Å; D287-Y289 VanDerWaalsContact OD1-N 3.1Å; D287-L290 PolarHBondContact O-N 2.9Å; D287-L290 PolarHBondContact OD1-N 3.4Å; D287-L290 WeakPolarHBondContact OD2-CD1 3.41Å; D287-L290 WeakPolarHBondContact OD2-CG 3.14Å; D287-S291 WeakPolarHBondContact O-CB 3.19Å; D287-S291 PolarHBondContact O-N 2.79Å; D287-S291 PolarHBondContact O-OG 3.04Å
288	P	98.9	Very high	98.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-54.4	-37	178.8	-33.8	41.9	0	0	0	115.6	V201 D204 L208 F292 L436 L439	V201-P288 HydrophobicContact CB-CG 4.48Å; V201-P288 HydrophobicContact CG1-CG 3.98Å; D204-P288 HydrophobicContact CB-CB 4.09Å; D204-P288 HydrophobicContact CB-CG 3.59Å; L208-P288 HydrophobicContact CD2-CB 4.43Å; P288-F292 WeakPolarHBondContact O-CB 3.49Å; P288-F292 PolarHBondContact O-N 3.28Å; P288-L436 HydrophobicContact CB-CD2 3.96Å; P288-L439 HydrophobicContact CB-CD2 4.05Å; P288-L439 HydrophobicContact CG-CD2 3.9Å
289	Y	98.9	Very high	98.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.7	-50.6	-178.3	-60.3	-90.5	0	0	0	110.8	I175 L178 D204 D207 L208 K211 D287 S291 F292 S293	I175-Y289 VanDerWaalsContact CG2-O 3.31Å; I175-Y289 WeakPolarHBondContact CG2-O 3.25Å; L178-Y289 HydrophobicContact CB-CD1 3.58Å; L178-Y289 HydrophobicContact CB-CE1 3.76Å; L178-Y289 HydrophobicContact CD1-CE1 4.37Å; D204-Y289 HydrophobicContact CB-CD2 4.46Å; D204-Y289 HydrophobicContact CB-CE2 3.91Å; D207-Y289 WeakPolarHBondContact CB-OH 3.34Å; L208-Y289 HydrophobicContact CB-CD1 4.31Å; L208-Y289 HydrophobicContact CB-CE1 3.96Å; L208-Y289 HydrophobicContact CD1-CD1 3.76Å; L208-Y289 HydrophobicContact CD1-CE1 3.91Å; L208-Y289 HydrophobicContact CD2-CD1 4.33Å; L208-Y289 HydrophobicContact CG-CD1 4.36Å; L208-Y289 HydrophobicContact CG-CE1 4.42Å; K211-Y289 PolarHBondContact NZ-OH 2.89Å; D287-Y289 VanDerWaalsContact C-N 3.3Å; D287-Y289 PolarHBondContact O-N 3.06Å; D287-Y289 VanDerWaalsContact OD1-CB 3.3Å; D287-Y289 WeakPolarHBondContact OD1-CB 3.47Å; D287-Y289 PolarHBondContact OD1-N 3.21Å; D287-Y289 VanDerWaalsContact OD1-N 3.1Å; Y289-S291 PolarHBondContact O-N 3.22Å; Y289-F292 PolarHBondContact O-N 2.77Å; Y289-S293 WeakPolarHBondContact O-CB 3.45Å; Y289-S293 PolarHBondContact O-N 3.38Å
290	L	98.9	Very high	98.8	Very high	56 Å²	56	24 Å²	24	29%	0.293	15%	0.154	S	C	.	.	H	α-helix	trans	-65.1	-41.9	178.6	-62	-176.2	0	0	0	112.1	T176 N179 D287 F292 S293 A294	T176-L290 HydrophobicContact CG2-CD2 4.18Å; N179-L290 HydrophobicContact CB-CD2 3.91Å; N179-L290 HydrophobicContact CB-CG 4.25Å; D287-L290 PolarHBondContact O-N 2.9Å; D287-L290 PolarHBondContact OD1-N 3.4Å; D287-L290 WeakPolarHBondContact OD2-CD1 3.41Å; D287-L290 WeakPolarHBondContact OD2-CG 3.14Å; L290-F292 PolarHBondContact O-N 3.42Å; L290-S293 PolarHBondContact O-N 2.83Å; L290-A294 PolarHBondContact O-N 3.26Å; L290-A294 VanDerWaalsContact O-N 3.08Å
291	S	98.9	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-42.7	178.8	-56.8	0	0	0	0	111.8	G282 S286 D287 Y289 A295	G282-S291 WeakPolarHBondContact CA-OG 3.24Å; G282-S291 PolarHBondContact N-OG 2.99Å; S286-S291 PolarHBondContact O-OG 3.15Å; D287-S291 WeakPolarHBondContact O-CB 3.19Å; D287-S291 PolarHBondContact O-N 2.79Å; D287-S291 PolarHBondContact O-OG 3.04Å; Y289-S291 PolarHBondContact O-N 3.22Å; S291-A295 PolarHBondContact O-N 3.28Å; S291-A295 VanDerWaalsContact O-N 3.15Å
292	F	98.9	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-74	-38.6	179.2	-172.3	-111.8	0	0	0	112.4	F171 I175 L208 L212 P288 Y289 L290 A294 A295 M296 G428 A432 V435 L436	F171-F292 HydrophobicContact CE1-CE1 4.25Å; F171-F292 HydrophobicContact CZ-CE1 4.44Å; I175-F292 HydrophobicContact CD1-CD1 3.73Å; I175-F292 HydrophobicContact CD1-CE1 3.65Å; I175-F292 HydrophobicContact CG1-CD1 4.45Å; I175-F292 HydrophobicContact CG2-CD1 4.07Å; L208-F292 HydrophobicContact CD2-CB 3.75Å; L208-F292 HydrophobicContact CD2-CD1 3.94Å; L208-F292 HydrophobicContact CD2-CG 4.03Å; L208-F292 HydrophobicContact CG-CD1 4.49Å; L212-F292 HydrophobicContact CD1-CD1 4.41Å; L212-F292 HydrophobicContact CD1-CE1 3.67Å; L212-F292 HydrophobicContact CD1-CZ 3.98Å; L212-F292 HydrophobicContact CD2-CD1 4.16Å; L212-F292 HydrophobicContact CD2-CE1 3.64Å; L212-F292 HydrophobicContact CG-CE1 4.31Å; P288-F292 WeakPolarHBondContact O-CB 3.49Å; P288-F292 PolarHBondContact O-N 3.28Å; Y289-F292 PolarHBondContact O-N 2.77Å; L290-F292 PolarHBondContact O-N 3.42Å; F292-A294 VanDerWaalsContact C-N 3.34Å; F292-A294 PolarHBondContact O-N 2.84Å; F292-A295 CarbonylContact O-C 3.34Å; F292-A295 WeakPolarHBondContact O-CA 3.3Å; F292-A295 WeakPolarHBondContact O-CB 3.37Å; F292-A295 PolarHBondContact O-N 3.25Å; F292-A295 VanDerWaalsContact O-N 3.12Å; F292-M296 HydrophobicContact CD1-CG 4.3Å; F292-M296 HydrophobicContact CD2-CE 4.12Å; F292-M296 HydrophobicContact CE1-CE 4.25Å; F292-M296 HydrophobicContact CE1-CG 3.91Å; F292-M296 HydrophobicContact CE1-SD 3.99Å; F292-M296 HydrophobicContact CE2-CE 3.41Å; F292-M296 VanDerWaalsContact CE2-CE 3.41Å; F292-M296 HydrophobicContact CE2-SD 4.2Å; F292-M296 HydrophobicContact CZ-CE 3.47Å; F292-M296 VanDerWaalsContact CZ-CE 3.47Å; F292-M296 HydrophobicContact CZ-CG 4.09Å; F292-M296 HydrophobicContact CZ-SD 3.62Å; F292-M296 WeakPolarHBondContact O-CG 3.33Å; F292-M296 PolarHBondContact O-N 3.34Å; F292-G428 WeakPolarHBondContact CZ-O 3.32Å; F292-A432 HydrophobicContact CD2-CB 4.41Å; F292-A432 HydrophobicContact CE1-CB 4.29Å; F292-A432 VanDerWaalsContact CE2-CA 3.45Å; F292-A432 HydrophobicContact CE2-CB 3.63Å; F292-A432 HydrophobicContact CZ-CB 3.57Å; F292-V435 HydrophobicContact CD2-CG2 3.68Å; F292-V435 HydrophobicContact CE2-CG2 3.94Å; F292-L436 HydrophobicContact CB-CD2 4.39Å
293	S	98.9	Very high	98.1	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-44.4	174.5	178.6	0	0	0	0	112	S172 T176 Y289 L290 A295 M296 N297	S172-S293 PolarHBondContact O-OG 2.68Å; S172-S293 PolarHBondContact OG-O 3.2Å; S172-S293 PolarHBondContact OG-OG 2.89Å; T176-S293 VanDerWaalsContact OG1-CB 3.25Å; T176-S293 WeakPolarHBondContact OG1-CB 3.46Å; T176-S293 PolarHBondContact OG1-OG 2.91Å; Y289-S293 WeakPolarHBondContact O-CB 3.45Å; Y289-S293 PolarHBondContact O-N 3.38Å; L290-S293 PolarHBondContact O-N 2.83Å; S293-A295 VanDerWaalsContact C-N 3.3Å; S293-A295 PolarHBondContact O-N 3.43Å; S293-M296 WeakPolarHBondContact O-CB 3.42Å; S293-M296 PolarHBondContact O-N 3.12Å; S293-M296 VanDerWaalsContact O-N 3.12Å; S293-N297 PolarHBondContact O-N 2.65Å; S293-N297 VanDerWaalsContact O-N 3.15Å
294	A	98.9	Very high	97.9	Very high	27 Å²	27	34.3 Å²	34.3	22%	0.223	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-40.2	174.4	0	0	0	0	0	111.8	T277 V281 L290 F292 M296 N297 G298	T277-A294 HydrophobicContact CG2-CB 3.78Å; T277-A294 WeakPolarHBondContact CG2-O 3.29Å; V281-A294 HydrophobicContact CG2-CB 3.81Å; L290-A294 PolarHBondContact O-N 3.26Å; L290-A294 VanDerWaalsContact O-N 3.08Å; F292-A294 VanDerWaalsContact C-N 3.34Å; F292-A294 PolarHBondContact O-N 2.84Å; A294-M296 VanDerWaalsContact C-N 3.29Å; A294-M296 PolarHBondContact O-N 2.9Å; A294-N297 WeakPolarHBondContact O-CB 3.3Å; A294-N297 PolarHBondContact O-N 2.81Å; A294-N297 VanDerWaalsContact O-N 3.16Å; A294-G298 PolarHBondContact O-N 3.5Å; A294-G298 VanDerWaalsContact O-N 3.11Å
295	A	98.9	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-35.5	174.2	0	0	0	0	0	112.9	S274 S291 F292 S293 G298 L299	S274-A295 WeakPolarHBondContact CB-O 3.21Å; S274-A295 WeakPolarHBondContact O-CB 3.41Å; S291-A295 PolarHBondContact O-N 3.28Å; S291-A295 VanDerWaalsContact O-N 3.15Å; F292-A295 CarbonylContact O-C 3.34Å; F292-A295 WeakPolarHBondContact O-CA 3.3Å; F292-A295 WeakPolarHBondContact O-CB 3.37Å; F292-A295 PolarHBondContact O-N 3.25Å; F292-A295 VanDerWaalsContact O-N 3.12Å; S293-A295 VanDerWaalsContact C-N 3.3Å; S293-A295 PolarHBondContact O-N 3.43Å; A295-G298 PolarHBondContact O-N 3.19Å; A295-L299 WeakPolarHBondContact O-CB 3.43Å; A295-L299 PolarHBondContact O-N 2.81Å
296	M	98.9	Very high	97.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.4	-34.8	174.7	-66.3	-54.5	91.5	0	0	112.3	M168 F171 I175 F292 S293 A294 L299 A300 G428	M168-M296 HydrophobicContact CE-CB 3.89Å; M168-M296 HydrophobicContact CE-CG 4.44Å; M168-M296 WeakPolarHBondContact CE-O 3.49Å; M168-M296 HydrophobicContact CE-SD 3.99Å; F171-M296 HydrophobicContact CD1-CG 3.9Å; F171-M296 HydrophobicContact CD1-SD 3.94Å; F171-M296 HydrophobicContact CE1-CG 4.01Å; F171-M296 HydrophobicContact CE1-SD 3.66Å; I175-M296 HydrophobicContact CD1-CG 4.02Å; F292-M296 HydrophobicContact CD1-CG 4.3Å; F292-M296 HydrophobicContact CD2-CE 4.12Å; F292-M296 HydrophobicContact CE1-CE 4.25Å; F292-M296 HydrophobicContact CE1-CG 3.91Å; F292-M296 HydrophobicContact CE1-SD 3.99Å; F292-M296 HydrophobicContact CE2-CE 3.41Å; F292-M296 VanDerWaalsContact CE2-CE 3.41Å; F292-M296 HydrophobicContact CE2-SD 4.2Å; F292-M296 HydrophobicContact CZ-CE 3.47Å; F292-M296 VanDerWaalsContact CZ-CE 3.47Å; F292-M296 HydrophobicContact CZ-CG 4.09Å; F292-M296 HydrophobicContact CZ-SD 3.62Å; F292-M296 WeakPolarHBondContact O-CG 3.33Å; F292-M296 PolarHBondContact O-N 3.34Å; S293-M296 WeakPolarHBondContact O-CB 3.42Å; S293-M296 PolarHBondContact O-N 3.12Å; S293-M296 VanDerWaalsContact O-N 3.12Å; A294-M296 VanDerWaalsContact C-N 3.29Å; A294-M296 PolarHBondContact O-N 2.9Å; M296-L299 HydrophobicContact CE-CB 4.32Å; M296-L299 HydrophobicContact CE-CD2 3.83Å; M296-L299 PolarHBondContact O-N 3.34Å; M296-L299 HydrophobicContact SD-CD2 4.04Å; M296-A300 WeakPolarHBondContact O-CB 3.42Å; M296-A300 PolarHBondContact O-N 3.37Å; M296-G428 WeakPolarHBondContact SD-CA 3.19Å
297	N	98.9	Very high	97	Very high	95 Å²	95	31 Å²	31	51%	0.508	19%	0.191	S	C	.	.	H	α-helix	trans	-65.3	-40.7	172.9	-68.2	-19.5	0	0	0	111.7	S172 S293 A294 A300	S172-N297 WeakPolarHBondContact CB-OD1 3.23Å; S172-N297 PolarHBondContact OG-ND2 2.92Å; S172-N297 PolarHBondContact OG-OD1 2.88Å; S293-N297 PolarHBondContact O-N 2.65Å; S293-N297 VanDerWaalsContact O-N 3.15Å; A294-N297 WeakPolarHBondContact O-CB 3.3Å; A294-N297 PolarHBondContact O-N 2.81Å; A294-N297 VanDerWaalsContact O-N 3.16Å; N297-A300 PolarHBondContact O-N 3.36Å
298	G	98.6	Very high	96.6	Very high	17 Å²	17	30.9 Å²	30.9	18%	0.175	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-39.5	171.4	0	0	0	0	0	113	A294 A295 A300 G301	A294-G298 PolarHBondContact O-N 3.5Å; A294-G298 VanDerWaalsContact O-N 3.11Å; A295-G298 PolarHBondContact O-N 3.19Å; G298-A300 VanDerWaalsContact C-N 3.33Å; G298-A300 PolarHBondContact O-N 3.39Å; G298-G301 PolarHBondContact O-N 3.49Å
299	L	98.6	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.2	-32.4	177.7	-170	61.1	0	0	0	112.5	M168 A295 M296 G301 G305 T424 F427	M168-L299 HydrophobicContact CE-CB 4.1Å; M168-L299 HydrophobicContact CE-CD2 4.25Å; M168-L299 HydrophobicContact CE-CG 4.33Å; A295-L299 WeakPolarHBondContact O-CB 3.43Å; A295-L299 PolarHBondContact O-N 2.81Å; M296-L299 HydrophobicContact CE-CB 4.32Å; M296-L299 HydrophobicContact CE-CD2 3.83Å; M296-L299 PolarHBondContact O-N 3.34Å; M296-L299 HydrophobicContact SD-CD2 4.04Å; L299-G301 PolarHBondContact O-N 3.1Å; L299-G305 WeakPolarHBondContact O-CA 3.18Å; L299-G305 PolarHBondContact O-N 3.07Å; L299-T424 HydrophobicContact CD2-CG2 4.21Å; L299-T424 HydrophobicContact CG-CG2 3.82Å; L299-F427 HydrophobicContact CD1-CD1 3.95Å; L299-F427 HydrophobicContact CD1-CE1 3.87Å; L299-F427 HydrophobicContact CD1-CG 4.44Å; L299-F427 HydrophobicContact CD1-CZ 4.26Å; L299-F427 HydrophobicContact CD2-CB 4.47Å; L299-F427 HydrophobicContact CD2-CG 4.31Å
300	A	98.1	Very high	96.1	Very high	36 Å²	36	36.6 Å²	36.6	30%	0.298	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.6	175.2	0	0	0	0	0	113.4	M168 M296 N297 G298	M168-A300 HydrophobicContact CB-CB 3.87Å; M168-A300 HydrophobicContact CE-CB 4.27Å; M168-A300 HydrophobicContact CG-CB 4.24Å; M296-A300 WeakPolarHBondContact O-CB 3.42Å; M296-A300 PolarHBondContact O-N 3.37Å; N297-A300 PolarHBondContact O-N 3.36Å; G298-A300 VanDerWaalsContact C-N 3.33Å; G298-A300 PolarHBondContact O-N 3.39Å
301	G	97.4	Very high	96	Very high	25 Å²	25	34.3 Å²	34.3	26%	0.258	21%	0.206	S	C	.	.	S	Bend	trans	-59.5	132.5	175	0	0	0	0	0	111.7	G298 L299 L303 H304 G305	G298-G301 PolarHBondContact O-N 3.49Å; L299-G301 PolarHBondContact O-N 3.1Å; G301-L303 PolarHBondContact O-N 3.32Å; G301-L303 VanDerWaalsContact O-N 3.12Å; G301-H304 PolarHBondContact O-N 3.02Å; G301-G305 PolarHBondContact O-N 3.38Å; G301-G305 VanDerWaalsContact O-N 3.11Å
302	P	93.6	Very high	95.7	Very high	85 Å²	85	34.3 Å²	34.3	55%	0.552	21%	0.206	S	C	*	.	H	α-helix	trans	-54.8	-34	-178.3	-31.2	37	0	0	0	114.9	H304 L306	P302-H304 PolarHBondContact O-N 3.37Å; P302-L306 HydrophobicContact CB-CD1 3.8Å; P302-L306 HydrophobicContact CG-CD1 4.14Å
303	L	91.3	Very high	95.6	Very high	184 Å²	184	38.1 Å²	38.1	96%	0.963	23%	0.229	S	C	*	.	H	α-helix	trans	-76.9	2.6	179.2	-60.3	179.5	0	0	0	114.2	G301	G301-L303 PolarHBondContact O-N 3.32Å; G301-L303 VanDerWaalsContact O-N 3.12Å
304	H	94.4	Very high	95.5	Very high	38 Å²	38	39.9 Å²	39.9	18%	0.176	24%	0.235	C	C	.	.	H	α-helix	trans	-127.1	-61.1	-179.3	-167	17.5	0	0	0	112.3	N272 S274 G301 P302	N272-H304 PolarHBondContact OD1-NE2 3.26Å; S274-H304 PolarHBondContact N-NE2 2.82Å; S274-H304 PolarHBondContact OG-NE2 3.46Å; G301-H304 PolarHBondContact O-N 3.02Å; P302-H304 PolarHBondContact O-N 3.37Å
305	G	91.9	Very high	95.3	Very high	4 Å²	4	38.7 Å²	38.7	4%	0.041	23%	0.225	C	C	.	.	H	α-helix	trans	-97	4.3	-166.9	0	0	0	0	0	117.2	L299 G301 Q309 T424	L299-G305 WeakPolarHBondContact O-CA 3.18Å; L299-G305 PolarHBondContact O-N 3.07Å; G301-G305 PolarHBondContact O-N 3.38Å; G301-G305 VanDerWaalsContact O-N 3.11Å; G305-Q309 PolarHBondContact O-OE1 3.08Å; G305-T424 PolarHBondContact O-OG1 3.49Å
306	L	92.5	Very high	95.1	Very high	46 Å²	46	41.8 Å²	41.8	24%	0.241	24%	0.244	C	C	.	.			trans	-104.6	-3.1	-173.4	-66.4	-173.3	0	0	0	115.4	P302 N308 Q309 E310	P302-L306 HydrophobicContact CB-CD1 3.8Å; P302-L306 HydrophobicContact CG-CD1 4.14Å; L306-N308 VanDerWaalsContact C-N 3.28Å; L306-N308 PolarHBondContact O-N 3.06Å; L306-Q309 VanDerWaalsContact CA-OE1 3.32Å; L306-Q309 PolarHBondContact O-N 3.42Å; L306-Q309 PolarHBondContact O-OE1 2.89Å; L306-E310 HydrophobicContact CB-CG 4.45Å; L306-E310 WeakPolarHBondContact O-CG 3.47Å; L306-E310 PolarHBondContact O-N 3.25Å
307	A	91.9	Very high	94.8	Very high	28 Å²	28	44.3 Å²	44.3	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-56.9	-39.4	-173.8	0	0	0	0	0	113.2	E310 V311 D405	A307-E310 PolarHBondContact O-N 2.96Å; A307-V311 VanDerWaalsContact O-CG2 3.29Å; A307-V311 WeakPolarHBondContact O-CG2 3.3Å; A307-V311 PolarHBondContact O-N 2.91Å; A307-D405 HydrophobicContact CB-CB 3.74Å
308	N	91.1	Very high	94.6	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.027	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-50.1	175.2	177.3	-12.1	0	0	0	111.3	L306 E310 V311 L312 S408 G409 Y423	L306-N308 VanDerWaalsContact C-N 3.28Å; L306-N308 PolarHBondContact O-N 3.06Å; N308-E310 PolarHBondContact O-N 3.06Å; N308-V311 PolarHBondContact O-N 3.12Å; N308-L312 PolarHBondContact O-N 3.33Å; N308-S408 VanDerWaalsContact CG-OG 3.25Å; N308-S408 PolarHBondContact ND2-OG 3.33Å; N308-S408 VanDerWaalsContact ND2-OG 3.1Å; N308-G409 WeakPolarHBondContact OD1-CA 3.42Å; N308-G409 PolarHBondContact OD1-N 3.05Å; N308-G409 VanDerWaalsContact OD1-N 3.12Å; N308-Y423 WeakPolarHBondContact OD1-CD2 3.29Å
309	Q	92.6	Very high	94.2	Very high	14 Å²	14	41.9 Å²	41.9	7%	0.065	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-42.9	178.9	-63.6	93.6	-39	0	0	112.2	G305 L306 V311 L312 V313 M420 Y423 T424	G305-Q309 PolarHBondContact O-OE1 3.08Å; L306-Q309 VanDerWaalsContact CA-OE1 3.32Å; L306-Q309 PolarHBondContact O-N 3.42Å; L306-Q309 PolarHBondContact O-OE1 2.89Å; Q309-V311 VanDerWaalsContact C-N 3.31Å; Q309-V311 PolarHBondContact O-N 2.89Å; Q309-L312 PolarHBondContact O-N 3.15Å; Q309-V313 WeakPolarHBondContact O-CB 3.49Å; Q309-V313 VanDerWaalsContact O-CG2 3.3Å; Q309-V313 WeakPolarHBondContact O-CG2 3.34Å; Q309-V313 PolarHBondContact O-N 2.91Å; Q309-M420 HydrophobicContact CB-CB 4.46Å; Q309-M420 HydrophobicContact CG-CB 3.9Å; Q309-M420 WeakPolarHBondContact CG-O 3.5Å; Q309-M420 PolarHBondContact NE2-O 3.31Å; Q309-Y423 HydrophobicContact CG-CD2 4.24Å; Q309-T424 PolarHBondContact NE2-OG1 3.29Å
310	E	94.6	Very high	93.9	Very high	106 Å²	106	50.8 Å²	50.8	50%	0.495	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-41.8	178.1	-72.1	179.4	166	0	0	111.7	L306 A307 N308 W314	L306-E310 HydrophobicContact CB-CG 4.45Å; L306-E310 WeakPolarHBondContact O-CG 3.47Å; L306-E310 PolarHBondContact O-N 3.25Å; A307-E310 PolarHBondContact O-N 2.96Å; N308-E310 PolarHBondContact O-N 3.06Å; E310-W314 VanDerWaalsContact O-CB 3.29Å; E310-W314 WeakPolarHBondContact O-CB 3.37Å; E310-W314 PolarHBondContact O-N 3.03Å
311	V	96.1	Very high	93.7	Very high	7 Å²	7	55 Å²	55	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-50.4	173.2	167.2	0	0	0	0	110.5	A307 N308 Q309 V313 W314 L315 P346	A307-V311 VanDerWaalsContact O-CG2 3.29Å; A307-V311 WeakPolarHBondContact O-CG2 3.3Å; A307-V311 PolarHBondContact O-N 2.91Å; N308-V311 PolarHBondContact O-N 3.12Å; Q309-V311 VanDerWaalsContact C-N 3.31Å; Q309-V311 PolarHBondContact O-N 2.89Å; V311-V313 PolarHBondContact O-N 3.42Å; V311-W314 PolarHBondContact O-N 3.4Å; V311-L315 HydrophobicContact CG1-CD1 3.66Å; V311-L315 HydrophobicContact CG1-CG 4.14Å; V311-L315 WeakPolarHBondContact O-CB 3.29Å; V311-L315 VanDerWaalsContact O-CG 3.27Å; V311-L315 WeakPolarHBondContact O-CG 3.38Å; V311-L315 PolarHBondContact O-N 3.41Å; V311-P346 HydrophobicContact CG2-CB 3.72Å
312	L	94.5	Very high	93.3	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-38.7	-175	-168.8	60.4	0	0	0	112.7	N308 Q309 W314 L315 T316 M376 V410 Q413 M420 Y423	N308-L312 PolarHBondContact O-N 3.33Å; Q309-L312 PolarHBondContact O-N 3.15Å; L312-W314 VanDerWaalsContact C-N 3.34Å; L312-L315 PolarHBondContact O-N 3Å; L312-T316 WeakPolarHBondContact O-CB 3.36Å; L312-T316 PolarHBondContact O-N 2.96Å; L312-T316 PolarHBondContact O-OG1 2.65Å; L312-M376 HydrophobicContact CD1-CE 3.79Å; L312-V410 HydrophobicContact CD1-CG1 3.96Å; L312-Q413 HydrophobicContact CD2-CB 4.36Å; L312-M420 HydrophobicContact CB-SD 4.08Å; L312-M420 HydrophobicContact CD2-CG 3.97Å; L312-M420 HydrophobicContact CD2-SD 3.9Å; L312-M420 HydrophobicContact CG-SD 4.1Å; L312-Y423 HydrophobicContact CD2-CE2 3.72Å
313	V	95.7	Very high	92.8	Very high	80 Å²	80	52.1 Å²	52.1	49%	0.485	28%	0.28	S	S	.	.	H	α-helix	trans	-60.2	-46.1	172.5	169.5	0	0	0	0	110.4	Q309 V311 T316 A317 M420	Q309-V313 WeakPolarHBondContact O-CB 3.49Å; Q309-V313 VanDerWaalsContact O-CG2 3.3Å; Q309-V313 WeakPolarHBondContact O-CG2 3.34Å; Q309-V313 PolarHBondContact O-N 2.91Å; V311-V313 PolarHBondContact O-N 3.42Å; V313-T316 PolarHBondContact O-N 2.95Å; V313-A317 PolarHBondContact O-N 3.48Å; V313-M420 HydrophobicContact CG2-CE 3.8Å; V313-M420 HydrophobicContact CG2-SD 3.8Å
314	W	96.4	Very high	92.2	Very high	39 Å²	39	46.5 Å²	46.5	15%	0.148	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-43.2	179.3	-179.9	87.1	0	0	0	112.3	E310 V311 L312 T316 A317 L318 Y334 I335 V345 P346 L383	E310-W314 VanDerWaalsContact O-CB 3.29Å; E310-W314 WeakPolarHBondContact O-CB 3.37Å; E310-W314 PolarHBondContact O-N 3.03Å; V311-W314 PolarHBondContact O-N 3.4Å; L312-W314 VanDerWaalsContact C-N 3.34Å; W314-T316 VanDerWaalsContact C-N 3.34Å; W314-T316 PolarHBondContact O-N 3.23Å; W314-A317 PolarHBondContact O-N 3.06Å; W314-L318 HydrophobicContact CE3-CD2 4.33Å; W314-L318 HydrophobicContact CH2-CD2 3.49Å; W314-L318 VanDerWaalsContact CH2-CD2 3.49Å; W314-L318 HydrophobicContact CZ2-CD2 4.11Å; W314-L318 HydrophobicContact CZ3-CD2 3.63Å; W314-L318 VanDerWaalsContact O-CB 3.28Å; W314-L318 WeakPolarHBondContact O-CB 3.32Å; W314-L318 PolarHBondContact O-N 3.43Å; W314-Y334 AromaticContact CZ2-CE1 3.96Å; W314-Y334 HydrophobicContact CZ2-CE1 3.96Å; W314-I335 HydrophobicContact CH2-CD1 3.92Å; W314-I335 HydrophobicContact CZ2-CD1 4.12Å; W314-V345 HydrophobicContact CH2-CG1 3.85Å; W314-V345 HydrophobicContact CZ2-CG1 4.2Å; W314-V345 HydrophobicContact CZ3-CG1 4.31Å; W314-P346 HydrophobicContact CB-CG 3.89Å; W314-P346 HydrophobicContact CD2-CG 4.2Å; W314-P346 HydrophobicContact CG-CG 3.78Å; W314-L383 HydrophobicContact CH2-CD1 4.15Å; W314-L383 HydrophobicContact CH2-CD2 3.93Å; W314-L383 HydrophobicContact CZ3-CD1 3.65Å; W314-L383 HydrophobicContact CZ3-CD2 4.29Å
315	L	95.4	Very high	91.6	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-41.4	175.9	-70	170.7	0	0	0	111.7	V311 L312 L318 Q319 M376 L379 V380 L383 V410	V311-L315 HydrophobicContact CG1-CD1 3.66Å; V311-L315 HydrophobicContact CG1-CG 4.14Å; V311-L315 WeakPolarHBondContact O-CB 3.29Å; V311-L315 VanDerWaalsContact O-CG 3.27Å; V311-L315 WeakPolarHBondContact O-CG 3.38Å; V311-L315 PolarHBondContact O-N 3.41Å; L312-L315 PolarHBondContact O-N 3Å; L315-L318 WeakPolarHBondContact O-CB 3.21Å; L315-L318 PolarHBondContact O-N 3.48Å; L315-Q319 WeakPolarHBondContact O-CB 3.47Å; L315-Q319 PolarHBondContact O-N 3.18Å; L315-M376 HydrophobicContact CB-CE 3.38Å; L315-M376 HydrophobicContact CB-SD 4.49Å; L315-M376 HydrophobicContact CD1-CE 4.18Å; L315-M376 HydrophobicContact CG-CE 4.4Å; L315-L379 HydrophobicContact CB-CD2 4.46Å; L315-L379 HydrophobicContact CD2-CD2 4.08Å; L315-L379 HydrophobicContact CD2-CG 4.2Å; L315-V380 HydrophobicContact CD1-CG2 3.55Å; L315-V380 HydrophobicContact CD2-CG2 4.15Å; L315-L383 HydrophobicContact CD2-CD1 3.34Å; L315-V410 HydrophobicContact CD1-CG1 3.79Å
316	T	93.8	Very high	91.6	Very high	65 Å²	65	53.8 Å²	53.8	40%	0.399	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-43.5	177.6	-57.7	0	0	0	0	111.2	L312 V313 W314 K320	L312-T316 WeakPolarHBondContact O-CB 3.36Å; L312-T316 PolarHBondContact O-N 2.96Å; L312-T316 PolarHBondContact O-OG1 2.65Å; V313-T316 PolarHBondContact O-N 2.95Å; W314-T316 VanDerWaalsContact C-N 3.34Å; W314-T316 PolarHBondContact O-N 3.23Å; T316-K320 WeakPolarHBondContact O-CB 3.11Å; T316-K320 PolarHBondContact O-N 3.5Å
317	A	93.9	Very high	91.7	Very high	53 Å²	53	54.8 Å²	54.8	44%	0.438	31%	0.312	S	S	.	.	H	α-helix	trans	-63.9	-44	175.2	0	0	0	0	0	111.6	V313 W314 K320 E321	V313-A317 PolarHBondContact O-N 3.48Å; W314-A317 PolarHBondContact O-N 3.06Å; A317-K320 PolarHBondContact O-N 3.38Å; A317-E321 WeakPolarHBondContact O-CB 3.3Å; A317-E321 PolarHBondContact O-N 2.91Å
318	L	93.5	Very high	91.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.7	-49.1	177.2	174.1	58.7	0	0	0	111.9	W314 L315 K320 E321 L322 M331 Y334 L379 L383	W314-L318 HydrophobicContact CE3-CD2 4.33Å; W314-L318 HydrophobicContact CH2-CD2 3.49Å; W314-L318 VanDerWaalsContact CH2-CD2 3.49Å; W314-L318 HydrophobicContact CZ2-CD2 4.11Å; W314-L318 HydrophobicContact CZ3-CD2 3.63Å; W314-L318 VanDerWaalsContact O-CB 3.28Å; W314-L318 WeakPolarHBondContact O-CB 3.32Å; W314-L318 PolarHBondContact O-N 3.43Å; L315-L318 WeakPolarHBondContact O-CB 3.21Å; L315-L318 PolarHBondContact O-N 3.48Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 PolarHBondContact O-N 3.44Å; L318-E321 PolarHBondContact O-N 3.28Å; L318-L322 HydrophobicContact CD1-CD1 3.32Å; L318-L322 HydrophobicContact CD1-CG 3.81Å; L318-L322 HydrophobicContact CG-CD1 4.34Å; L318-L322 PolarHBondContact O-N 3Å; L318-M331 HydrophobicContact CD1-SD 4.42Å; L318-M331 HydrophobicContact CD2-CE 4.37Å; L318-M331 HydrophobicContact CD2-SD 4.12Å; L318-Y334 HydrophobicContact CD1-CD1 3.54Å; L318-Y334 HydrophobicContact CD1-CD2 4.25Å; L318-Y334 HydrophobicContact CD1-CE1 3.32Å; L318-Y334 HydrophobicContact CD1-CE2 4.04Å; L318-Y334 HydrophobicContact CD1-CG 4.01Å; L318-Y334 HydrophobicContact CG-CE1 4.46Å; L318-L379 HydrophobicContact CD2-CD1 4.03Å; L318-L379 HydrophobicContact CD2-CD2 4.2Å; L318-L379 HydrophobicContact CD2-CG 4.41Å; L318-L379 HydrophobicContact CG-CD1 4.42Å; L318-L379 HydrophobicContact CG-CD2 4.29Å; L318-L383 HydrophobicContact CD2-CD1 4.17Å; L318-L383 HydrophobicContact CD2-CD2 4.21Å
319	Q	91.3	Very high	92.1	Very high	60 Å²	60	63.1 Å²	63.1	28%	0.28	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-39.9	178.2	-167.7	179.2	43.9	0	0	111.4	L315 G323 M376 L379	L315-Q319 WeakPolarHBondContact O-CB 3.47Å; L315-Q319 PolarHBondContact O-N 3.18Å; Q319-G323 CarbonylContact O-C 3.56Å; Q319-G323 WeakPolarHBondContact O-CA 3.47Å; Q319-G323 PolarHBondContact O-N 2.97Å; Q319-G323 VanDerWaalsContact O-O 3.13Å; Q319-M376 HydrophobicContact CB-SD 4.32Å; Q319-M376 PolarHBondContact OE1-SD 3.38Å; Q319-L379 HydrophobicContact CB-CD2 4.02Å
320	K	92.9	Very high	92.2	Very high	187 Å²	187	68.2 Å²	68.2	81%	0.813	37%	0.366	S	S	*	.	H	α-helix	trans	-64.9	-39.7	176.3	-173.9	-179.6	179.6	-178.9	0	112.4	T316 A317 L318	T316-K320 WeakPolarHBondContact O-CB 3.11Å; T316-K320 PolarHBondContact O-N 3.5Å; A317-K320 PolarHBondContact O-N 3.38Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 PolarHBondContact O-N 3.44Å
321	E	92.9	Very high	92.3	Very high	125 Å²	125	63.2 Å²	63.2	58%	0.584	34%	0.343	S	S	*	.	H	α-helix	trans	-73.3	-45.8	-178.9	-175.6	178.7	153.2	0	0	112.3	A317 L318 Y334	A317-E321 WeakPolarHBondContact O-CB 3.3Å; A317-E321 PolarHBondContact O-N 2.91Å; L318-E321 PolarHBondContact O-N 3.28Å; E321-Y334 WeakPolarHBondContact OE1-CE2 3.47Å
322	L	89.3	Confident	92.4	Very high	16 Å²	16	66.5 Å²	66.5	8%	0.084	36%	0.355	C	S	.	.	H	α-helix	trans	-87.9	-20.3	-174.3	-60.9	-175.7	0	0	0	113.5	L318 V326 R330 M331 Y334	L318-L322 HydrophobicContact CD1-CD1 3.32Å; L318-L322 HydrophobicContact CD1-CG 3.81Å; L318-L322 HydrophobicContact CG-CD1 4.34Å; L318-L322 PolarHBondContact O-N 3Å; L322-V326 HydrophobicContact CB-CG1 4.46Å; L322-V326 HydrophobicContact CB-CG2 3.54Å; L322-V326 HydrophobicContact CD1-CG1 4.18Å; L322-V326 HydrophobicContact CD1-CG2 4.38Å; L322-R330 PolarHBondContact O-NH1 3.2Å; L322-R330 PolarHBondContact O-NH2 3.15Å; L322-M331 HydrophobicContact CD1-CE 3.89Å; L322-M331 HydrophobicContact CD1-SD 4.18Å; L322-Y334 HydrophobicContact CD1-CD2 4.2Å; L322-Y334 HydrophobicContact CD1-CG 3.99Å; L322-Y334 HydrophobicContact CD2-CD2 3.98Å; L322-Y334 HydrophobicContact CD2-CG 4.47Å; L322-Y334 HydrophobicContact CG-CD2 4.32Å
323	G	82.9	Confident	92.5	Very high	33 Å²	33	70.6 Å²	70.6	34%	0.34	38%	0.376	S	S	.	.			trans	89.5	-159.1	-176.3	0	0	0	0	0	112.6	Q319	Q319-G323 CarbonylContact O-C 3.56Å; Q319-G323 WeakPolarHBondContact O-CA 3.47Å; Q319-G323 PolarHBondContact O-N 2.97Å; Q319-G323 VanDerWaalsContact O-O 3.13Å
324	G	77.6	Confident	92.5	Very high	67 Å²	67	68.2 Å²	68.2	69%	0.691	36%	0.359	S	S	*	.	S	Bend	trans	-64.8	-118.8	-177.1	0	0	0	0	0	114.5	V326	G324-V326 PolarHBondContact O-N 3.38Å
325	E	82.8	Confident	92.5	Very high	177 Å²	177	66.3 Å²	66.3	83%	0.827	35%	0.352	S	S	*	.	S	Bend	trans	-71.1	116.8	179.4	-64.9	-168.2	158.8	0	0	110.6	K378	E325-K378 IonicContact OE1-NZ 3.65Å; E325-K378 PolarHBondContact OE1-NZ 2.79Å
326	V	91.1	Very high	92.6	Very high	17 Å²	17	68.7 Å²	68.7	10%	0.103	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-102.6	139.4	-178.3	-177.1	0	0	0	0	109.1	L322 G324 R330 M331 Q382	L322-V326 HydrophobicContact CB-CG1 4.46Å; L322-V326 HydrophobicContact CB-CG2 3.54Å; L322-V326 HydrophobicContact CD1-CG1 4.18Å; L322-V326 HydrophobicContact CD1-CG2 4.38Å; G324-V326 PolarHBondContact O-N 3.38Å; V326-R330 HydrophobicContact CG1-CB 3.86Å; V326-R330 HydrophobicContact CG1-CG 3.95Å; V326-M331 HydrophobicContact CB-CE 4.2Å; V326-M331 HydrophobicContact CG1-CB 4.26Å; V326-M331 HydrophobicContact CG1-CE 4.22Å; V326-M331 HydrophobicContact CG2-CE 4.49Å; V326-Q382 PolarHBondContact O-NE2 3.16Å
327	S	94.4	Very high	92.7	Very high	68 Å²	68	70.3 Å²	70.3	48%	0.476	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-68.6	150.8	173.4	67.7	0	0	0	0	111.7	E329 R330 M331	S327-E329 PolarHBondContact O-N 3.05Å; S327-R330 PolarHBondContact O-N 3.48Å; S327-R330 WeakPolarHBondContact OG-CB 3.34Å; S327-R330 PolarHBondContact OG-N 2.87Å; S327-M331 PolarHBondContact O-N 3.07Å
328	D	96.6	Very high	92.7	Very high	62 Å²	62	67.8 Å²	67.8	33%	0.332	35%	0.346	S	S	.	.	H	α-helix	trans	-58.3	-34.2	178.2	-72.8	-6.4	0	0	0	112.6	R332 Q382 K385 I386	D328-R332 WeakPolarHBondContact O-CB 3.35Å; D328-R332 PolarHBondContact O-N 2.8Å; D328-Q382 PolarHBondContact OD1-NE2 3.35Å; D328-K385 WeakPolarHBondContact OD2-CE 3.47Å; D328-K385 IonicContact OD2-NZ 3.08Å; D328-K385 PolarHBondContact OD2-NZ 2.7Å; D328-I386 HydrophobicContact CB-CD1 3.96Å
329	E	96.1	Very high	92.8	Very high	146 Å²	146	68.4 Å²	68.4	68%	0.682	35%	0.349	S	S	*	.	H	α-helix	trans	-64.2	-50.6	176.6	-174.8	177	-167.4	0	0	111.5	S327 M331 R332 D333	S327-E329 PolarHBondContact O-N 3.05Å; E329-M331 VanDerWaalsContact C-N 3.31Å; E329-M331 PolarHBondContact O-N 3.06Å; E329-R332 WeakPolarHBondContact O-CB 3.39Å; E329-R332 PolarHBondContact O-N 3.01Å; E329-D333 PolarHBondContact O-N 3.13Å
330	R	95.1	Very high	93	Very high	121 Å²	121	73 Å²	73	46%	0.457	37%	0.368	S	S	.	.	H	α-helix	trans	-64.1	-37.9	178.8	-176.9	173.4	177.3	-146	-4.2	111.9	L322 V326 S327 D333 Y334	L322-R330 PolarHBondContact O-NH1 3.2Å; L322-R330 PolarHBondContact O-NH2 3.15Å; V326-R330 HydrophobicContact CG1-CB 3.86Å; V326-R330 HydrophobicContact CG1-CG 3.95Å; S327-R330 PolarHBondContact O-N 3.48Å; S327-R330 WeakPolarHBondContact OG-CB 3.34Å; S327-R330 PolarHBondContact OG-N 2.87Å; R330-D333 PolarHBondContact O-N 2.91Å; R330-Y334 PolarHBondContact O-N 3.08Å
331	M	96.8	Very high	93	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64.3	-45.6	174.4	-176.5	60	65.9	0	0	111	L318 L322 V326 S327 E329 D333 Y334 I335 L379 Q382 L383 I386	L318-M331 HydrophobicContact CD1-SD 4.42Å; L318-M331 HydrophobicContact CD2-CE 4.37Å; L318-M331 HydrophobicContact CD2-SD 4.12Å; L322-M331 HydrophobicContact CD1-CE 3.89Å; L322-M331 HydrophobicContact CD1-SD 4.18Å; V326-M331 HydrophobicContact CB-CE 4.2Å; V326-M331 HydrophobicContact CG1-CB 4.26Å; V326-M331 HydrophobicContact CG1-CE 4.22Å; V326-M331 HydrophobicContact CG2-CE 4.49Å; S327-M331 PolarHBondContact O-N 3.07Å; E329-M331 VanDerWaalsContact C-N 3.31Å; E329-M331 PolarHBondContact O-N 3.06Å; M331-D333 VanDerWaalsContact C-N 3.35Å; M331-D333 PolarHBondContact O-N 3.46Å; M331-Y334 WeakPolarHBondContact O-CB 3.45Å; M331-Y334 PolarHBondContact O-N 3.33Å; M331-I335 WeakPolarHBondContact O-CG1 3.44Å; M331-I335 PolarHBondContact O-N 3.3Å; M331-L379 HydrophobicContact CE-CD1 3.36Å; M331-Q382 HydrophobicContact CG-CG 4.5Å; M331-L383 HydrophobicContact CG-CD2 4.37Å; M331-L383 HydrophobicContact SD-CD2 3.8Å; M331-I386 HydrophobicContact CB-CD1 3.67Å; M331-I386 HydrophobicContact CG-CD1 3.59Å
332	R	97	Very high	93	Very high	77 Å²	77	64.3 Å²	64.3	29%	0.291	36%	0.355	S	S	.	.	H	α-helix	trans	-59.8	-42.9	176.5	177.1	175.1	167.2	92.2	1.7	112.2	D328 E329 I335 W336 I386 V390 E393	D328-R332 WeakPolarHBondContact O-CB 3.35Å; D328-R332 PolarHBondContact O-N 2.8Å; E329-R332 WeakPolarHBondContact O-CB 3.39Å; E329-R332 PolarHBondContact O-N 3.01Å; R332-I335 PolarHBondContact O-N 3.22Å; R332-W336 PolarHBondContact O-N 3.01Å; R332-I386 HydrophobicContact CB-CG2 3.85Å; R332-I386 HydrophobicContact CG-CG2 4.38Å; R332-V390 HydrophobicContact CG-CG2 3.9Å; R332-E393 IonicContact CZ-OE1 2.65Å; R332-E393 VanDerWaalsContact CZ-OE1 3.32Å; R332-E393 IonicContact CZ-OE2 3.02Å; R332-E393 IonicContact NH1-OE1 3.73Å; R332-E393 PolarHBondContact NH1-OE1 3.31Å; R332-E393 IonicContact NH1-OE2 2.76Å; R332-E393 IonicContact NH2-OE1 3.81Å; R332-E393 PolarHBondContact NH2-OE1 3.33Å; R332-E393 IonicContact NH2-OE2 3.34Å; R332-E393 PolarHBondContact NH2-OE2 3.14Å
333	D	96.4	Very high	93.1	Very high	86 Å²	86	70.6 Å²	70.6	46%	0.46	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-43	175.9	-74.8	-15.5	0	0	0	112	E329 R330 M331 I335 W336 N337	E329-D333 PolarHBondContact O-N 3.13Å; R330-D333 PolarHBondContact O-N 2.91Å; M331-D333 VanDerWaalsContact C-N 3.35Å; M331-D333 PolarHBondContact O-N 3.46Å; D333-I335 PolarHBondContact O-N 3.12Å; D333-W336 PolarHBondContact O-N 3.15Å; D333-N337 WeakPolarHBondContact O-CB 3.45Å; D333-N337 VanDerWaalsContact O-CG 3.25Å; D333-N337 PolarHBondContact O-N 2.88Å; D333-N337 PolarHBondContact O-ND2 2.94Å
334	Y	96	Very high	93.6	Very high	30 Å²	30	74.3 Å²	74.3	12%	0.118	39%	0.394	C	S	.	.	H	α-helix	trans	-59.5	-45	175.3	178.6	-86.7	0	0	0	112	W314 L318 E321 L322 R330 M331 N337 T338	W314-Y334 AromaticContact CZ2-CE1 3.96Å; W314-Y334 HydrophobicContact CZ2-CE1 3.96Å; L318-Y334 HydrophobicContact CD1-CD1 3.54Å; L318-Y334 HydrophobicContact CD1-CD2 4.25Å; L318-Y334 HydrophobicContact CD1-CE1 3.32Å; L318-Y334 HydrophobicContact CD1-CE2 4.04Å; L318-Y334 HydrophobicContact CD1-CG 4.01Å; L318-Y334 HydrophobicContact CG-CE1 4.46Å; E321-Y334 WeakPolarHBondContact OE1-CE2 3.47Å; L322-Y334 HydrophobicContact CD1-CD2 4.2Å; L322-Y334 HydrophobicContact CD1-CG 3.99Å; L322-Y334 HydrophobicContact CD2-CD2 3.98Å; L322-Y334 HydrophobicContact CD2-CG 4.47Å; L322-Y334 HydrophobicContact CG-CD2 4.32Å; R330-Y334 PolarHBondContact O-N 3.08Å; M331-Y334 WeakPolarHBondContact O-CB 3.45Å; M331-Y334 PolarHBondContact O-N 3.33Å; Y334-N337 PolarHBondContact O-N 2.94Å; Y334-T338 WeakPolarHBondContact CE1-OG1 3.3Å; Y334-T338 WeakPolarHBondContact O-CB 3.39Å; Y334-T338 PolarHBondContact O-N 2.88Å; Y334-T338 PolarHBondContact O-OG1 2.93Å
335	I	97.1	Very high	94.4	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64	-44.1	177.5	-61.8	-60.5	0	0	0	110.8	W314 M331 R332 D333 N337 T338 L339 V345 L383 V387 V390	W314-I335 HydrophobicContact CH2-CD1 3.92Å; W314-I335 HydrophobicContact CZ2-CD1 4.12Å; M331-I335 WeakPolarHBondContact O-CG1 3.44Å; M331-I335 PolarHBondContact O-N 3.3Å; R332-I335 PolarHBondContact O-N 3.22Å; D333-I335 PolarHBondContact O-N 3.12Å; I335-N337 VanDerWaalsContact C-N 3.35Å; I335-N337 PolarHBondContact O-N 3.15Å; I335-T338 WeakPolarHBondContact O-CB 3.28Å; I335-T338 PolarHBondContact O-N 3.45Å; I335-L339 HydrophobicContact CG2-CD1 4.06Å; I335-L339 HydrophobicContact CG2-CG 4.48Å; I335-L339 WeakPolarHBondContact O-CG 3.46Å; I335-L339 PolarHBondContact O-N 2.94Å; I335-V345 HydrophobicContact CD1-CG2 4.11Å; I335-V345 HydrophobicContact CG2-CG2 4Å; I335-L383 HydrophobicContact CD1-CD2 3.8Å; I335-L383 HydrophobicContact CG1-CD2 4.38Å; I335-V387 HydrophobicContact CD1-CG2 3.94Å; I335-V387 HydrophobicContact CG1-CG2 4.05Å; I335-V387 HydrophobicContact CG2-CG2 4.36Å; I335-V390 HydrophobicContact CG2-CB 4.16Å; I335-V390 HydrophobicContact CG2-CG1 3.82Å; I335-V390 HydrophobicContact CG2-CG2 4.45Å
336	W	97.1	Very high	94.9	Very high	53 Å²	53	64.3 Å²	64.3	20%	0.201	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-43.5	175	-95.3	117.9	0	0	0	112.7	R332 D333 L339 K340 V390 E393 Q394	R332-W336 PolarHBondContact O-N 3.01Å; D333-W336 PolarHBondContact O-N 3.15Å; W336-L339 PolarHBondContact O-N 3.33Å; W336-K340 WeakPolarHBondContact O-CB 3.12Å; W336-K340 VanDerWaalsContact O-CG 3.32Å; W336-K340 WeakPolarHBondContact O-CG 3.33Å; W336-K340 PolarHBondContact O-N 2.87Å; W336-V390 HydrophobicContact CD2-CG1 3.88Å; W336-V390 HydrophobicContact CE3-CG1 4.49Å; W336-V390 HydrophobicContact CG-CG1 4.04Å; W336-V390 HydrophobicContact CZ2-CG1 4.25Å; W336-E393 HydrophobicContact CH2-CB 4.41Å; W336-E393 HydrophobicContact CZ2-CB 3.89Å; W336-Q394 HydrophobicContact CH2-CB 4.06Å; W336-Q394 HydrophobicContact CH2-CG 4.48Å; W336-Q394 HydrophobicContact CZ3-CB 4.24Å; W336-Q394 HydrophobicContact CZ3-CG 4.21Å
337	N	95.7	Very high	95	Very high	98 Å²	98	64.2 Å²	64.2	52%	0.524	34%	0.335	S	S	.	.	H	α-helix	trans	-64.1	-41.2	177.9	-72.9	-22.7	0	0	0	111.7	D333 Y334 I335 L339 K340 S341	D333-N337 WeakPolarHBondContact O-CB 3.45Å; D333-N337 VanDerWaalsContact O-CG 3.25Å; D333-N337 PolarHBondContact O-N 2.88Å; D333-N337 PolarHBondContact O-ND2 2.94Å; Y334-N337 PolarHBondContact O-N 2.94Å; I335-N337 VanDerWaalsContact C-N 3.35Å; I335-N337 PolarHBondContact O-N 3.15Å; N337-L339 PolarHBondContact O-N 3.29Å; N337-K340 PolarHBondContact O-N 2.81Å; N337-S341 PolarHBondContact O-N 3.01Å; N337-S341 PolarHBondContact O-OG 3.12Å
338	T	94.9	Very high	95.1	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-58.8	-46.4	174.4	-62.9	0	0	0	0	111.5	Y334 I335 S341 R343	Y334-T338 WeakPolarHBondContact CE1-OG1 3.3Å; Y334-T338 WeakPolarHBondContact O-CB 3.39Å; Y334-T338 PolarHBondContact O-N 2.88Å; Y334-T338 PolarHBondContact O-OG1 2.93Å; I335-T338 WeakPolarHBondContact O-CB 3.28Å; I335-T338 PolarHBondContact O-N 3.45Å; T338-S341 PolarHBondContact O-N 3.47Å; T338-S341 PolarHBondContact O-OG 2.94Å; T338-R343 HydrophobicContact CG2-CB 3.77Å; T338-R343 WeakPolarHBondContact O-CB 3.44Å; T338-R343 PolarHBondContact O-N 2.89Å; T338-R343 VanDerWaalsContact O-N 3.16Å
339	L	94.5	Very high	94.5	Very high	13 Å²	13	61.2 Å²	61.2	7%	0.068	32%	0.321	C	S	.	.	H	α-helix	trans	-70.1	-37.1	179.7	-68.1	174.4	0	0	0	112.7	I335 W336 N337 S341 G342 V345 V390 L391	I335-L339 HydrophobicContact CG2-CD1 4.06Å; I335-L339 HydrophobicContact CG2-CG 4.48Å; I335-L339 WeakPolarHBondContact O-CG 3.46Å; I335-L339 PolarHBondContact O-N 2.94Å; W336-L339 PolarHBondContact O-N 3.33Å; N337-L339 PolarHBondContact O-N 3.29Å; L339-S341 VanDerWaalsContact C-N 3.29Å; L339-S341 PolarHBondContact O-N 3.39Å; L339-G342 PolarHBondContact O-N 2.78Å; L339-V345 HydrophobicContact CD2-CG2 4.39Å; L339-V390 HydrophobicContact CD1-CG1 3.67Å; L339-L391 HydrophobicContact CD1-CD2 3.85Å; L339-L391 HydrophobicContact CD2-CD2 3.96Å
340	K	95.2	Very high	93.6	Very high	157 Å²	157	56.9 Å²	56.9	68%	0.683	30%	0.301	S	S	*	.	H	α-helix	trans	-67.2	-28.6	176.1	-76.9	175.7	-178.9	175	0	112.6	W336 N337 G342	W336-K340 WeakPolarHBondContact O-CB 3.12Å; W336-K340 VanDerWaalsContact O-CG 3.32Å; W336-K340 WeakPolarHBondContact O-CG 3.33Å; W336-K340 PolarHBondContact O-N 2.87Å; N337-K340 PolarHBondContact O-N 2.81Å; K340-G342 PolarHBondContact O-N 3.33Å
341	S	94.3	Very high	92.6	Very high	59 Å²	59	54.6 Å²	54.6	41%	0.413	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	7.1	174.9	73.7	0	0	0	0	113.8	N337 T338 L339 R343	N337-S341 PolarHBondContact O-N 3.01Å; N337-S341 PolarHBondContact O-OG 3.12Å; T338-S341 PolarHBondContact O-N 3.47Å; T338-S341 PolarHBondContact O-OG 2.94Å; L339-S341 VanDerWaalsContact C-N 3.29Å; L339-S341 PolarHBondContact O-N 3.39Å; S341-R343 VanDerWaalsContact C-N 3.28Å; S341-R343 PolarHBondContact O-N 3.47Å; S341-R343 PolarHBondContact OG-NE 3.44Å; S341-R343 PolarHBondContact OG-NH1 2.84Å; S341-R343 PolarHBondContact OG-NH2 3.21Å
342	G	91.3	Very high	91.7	Very high	69 Å²	69	57.9 Å²	57.9	71%	0.711	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	8.5	-178.4	0	0	0	0	0	114.8	L339 K340	L339-G342 PolarHBondContact O-N 2.78Å; K340-G342 PolarHBondContact O-N 3.33Å
343	R	92.6	Very high	91	Very high	148 Å²	148	54.4 Å²	54.4	56%	0.558	32%	0.315	S	S	*	.			trans	-86.2	163.7	173.1	-65.2	-174.5	-67.1	-98.8	4.1	110.3	T338 S341	T338-R343 HydrophobicContact CG2-CB 3.77Å; T338-R343 WeakPolarHBondContact O-CB 3.44Å; T338-R343 PolarHBondContact O-N 2.89Å; T338-R343 VanDerWaalsContact O-N 3.16Å; S341-R343 VanDerWaalsContact C-N 3.28Å; S341-R343 PolarHBondContact O-N 3.47Å; S341-R343 PolarHBondContact OG-NE 3.44Å; S341-R343 PolarHBondContact OG-NH1 2.84Å; S341-R343 PolarHBondContact OG-NH2 3.21Å
344	V	92.8	Very high	90.7	Very high	112 Å²	112	57.5 Å²	57.5	68%	0.679	32%	0.32	S	S	*	.			trans	-110.1	163.8	176.2	-62.2	0	0	0	0	110.6	P346	V344-P346 WeakPolarHBondContact O-CD 3.29Å
345	V	94.8	Very high	90.5	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.03	33%	0.33	C	S	.	.			trans	-93.7	111.9	169.5	-176	0	0	0	0	107.9	W314 I335 L339 Y348 V387	W314-V345 HydrophobicContact CH2-CG1 3.85Å; W314-V345 HydrophobicContact CZ2-CG1 4.2Å; W314-V345 HydrophobicContact CZ3-CG1 4.31Å; I335-V345 HydrophobicContact CD1-CG2 4.11Å; I335-V345 HydrophobicContact CG2-CG2 4Å; L339-V345 HydrophobicContact CD2-CG2 4.39Å; V345-Y348 HydrophobicContact CG1-CD2 3.79Å; V345-Y348 HydrophobicContact CG1-CE2 4.43Å; V345-Y348 HydrophobicContact CG1-CG 4.35Å; V345-Y348 PolarHBondContact O-N 3.2Å; V345-V387 HydrophobicContact CB-CG1 4.24Å; V345-V387 HydrophobicContact CG1-CG1 4.1Å; V345-V387 HydrophobicContact CG1-CG2 4.23Å; V345-V387 HydrophobicContact CG2-CG1 4.23Å
346	P	93.9	Very high	90.5	Very high	29 Å²	29	60.3 Å²	60.3	19%	0.188	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	141.4	-178	-26.6	36.8	0	0	0	112.2	V311 W314 V344 Y348	V311-P346 HydrophobicContact CG2-CB 3.72Å; W314-P346 HydrophobicContact CB-CG 3.89Å; W314-P346 HydrophobicContact CD2-CG 4.2Å; W314-P346 HydrophobicContact CG-CG 3.78Å; V344-P346 WeakPolarHBondContact O-CD 3.29Å; P346-Y348 PolarHBondContact O-N 3.21Å
347	G	93.2	Very high	90.5	Very high	15 Å²	15	57.9 Å²	57.9	16%	0.155	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-4.4	-179.6	0	0	0	0	0	115.5	P402 N403	G347-P402 CarbonylContact O-C 3.45Å; G347-P402 WeakPolarHBondContact O-CA 3.41Å; G347-N403 PolarHBondContact O-N 3.19Å
348	Y	94.8	Very high	90.6	Very high	26 Å²	26	53.8 Å²	53.8	10%	0.102	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-113	138.6	175.9	-74.4	-102.8	0	0	0	111.9	V345 P346 Y384 V387 P388 P402 A406	V345-Y348 HydrophobicContact CG1-CD2 3.79Å; V345-Y348 HydrophobicContact CG1-CE2 4.43Å; V345-Y348 HydrophobicContact CG1-CG 4.35Å; V345-Y348 PolarHBondContact O-N 3.2Å; P346-Y348 PolarHBondContact O-N 3.21Å; Y348-Y384 WeakPolarHBondContact OH-CA 3.48Å; Y348-Y384 PolarHBondContact OH-N 3.36Å; Y348-V387 HydrophobicContact CD1-CB 3.93Å; Y348-V387 HydrophobicContact CD1-CG1 3.44Å; Y348-V387 VanDerWaalsContact CD1-CG1 3.44Å; Y348-V387 HydrophobicContact CD2-CG1 4.14Å; Y348-V387 HydrophobicContact CE1-CB 3.78Å; Y348-V387 HydrophobicContact CE1-CG1 3.85Å; Y348-V387 HydrophobicContact CG-CB 4.39Å; Y348-V387 HydrophobicContact CG-CG1 3.61Å; Y348-P388 HydrophobicContact CE1-CG 4.06Å; Y348-P402 HydrophobicContact CD1-CB 4.08Å; Y348-P402 HydrophobicContact CD2-CB 4.37Å; Y348-P402 HydrophobicContact CE1-CB 3.77Å; Y348-P402 HydrophobicContact CE1-CG 3.94Å; Y348-P402 HydrophobicContact CE2-CB 4.07Å; Y348-P402 HydrophobicContact CG-CB 4.36Å; Y348-A406 HydrophobicContact CE2-CB 4.48Å
349	G	84.9	Confident	90.8	Very high	41 Å²	41	54.6 Å²	54.6	42%	0.423	31%	0.307	S	S	.	.			trans	103.3	107.3	178.3	0	0	0	0	0	112.2	N399 W401	G349-N399 VanDerWaalsContact CA-O 3.28Å; G349-N399 WeakPolarHBondContact CA-O 3.25Å; G349-W401 PolarHBondContact N-O 3.08Å
350	H	77.3	Confident	91	Very high	55 Å²	55	54 Å²	54	26%	0.255	30%	0.304	S	S	.	.			trans	-120.3	143.5	177.5	-157.2	-59.4	0	0	0	111.6	V352 L353 N399	H350-V352 VanDerWaalsContact C-N 3.28Å; H350-V352 PolarHBondContact ND1-N 3.45Å; H350-V352 PolarHBondContact O-N 3.33Å; H350-L353 HydrophobicContact CB-CB 4.23Å; H350-L353 PolarHBondContact ND1-N 2.88Å; H350-N399 PolarHBondContact N-O 2.92Å; H350-N399 VanDerWaalsContact N-O 3.11Å; H350-N399 WeakPolarHBondContact O-CB 3.48Å; H350-N399 PolarHBondContact O-ND2 3.06Å
351	A	73.6	Confident	91.2	Very high	73 Å²	73	48.7 Å²	48.7	60%	0.603	29%	0.285	S	S	*	.	S	Bend	trans	-71.4	-16.9	177.2	0	0	0	0	0	114.7
352	V	78.4	Confident	91.4	Very high	69 Å²	69	46 Å²	46	42%	0.418	27%	0.266	S	S	.	.	S	Bend	trans	-134.3	-55.4	-162.4	-175	0	0	0	0	111.9	L88 H350 R354	L88-V352 HydrophobicContact CD2-CB 4.08Å; L88-V352 HydrophobicContact CD2-CG1 3.71Å; H350-V352 VanDerWaalsContact C-N 3.28Å; H350-V352 PolarHBondContact ND1-N 3.45Å; H350-V352 PolarHBondContact O-N 3.33Å; V352-R354 PolarHBondContact O-N 2.98Å
353	L	82.2	Confident	91.8	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	23%	0.232	C	C	.	.			trans	-65	123.1	-176.6	-120.5	150.4	0	0	0	111.3	L88 H350 K355 D357 N399	L88-L353 HydrophobicContact CD1-CD1 3.83Å; L88-L353 HydrophobicContact CD1-CG 4.21Å; H350-L353 HydrophobicContact CB-CB 4.23Å; H350-L353 PolarHBondContact ND1-N 2.88Å; L353-K355 HydrophobicContact CD2-CG 4.44Å; L353-K355 VanDerWaalsContact CD2-O 3.3Å; L353-K355 WeakPolarHBondContact CD2-O 3.49Å; L353-D357 HydrophobicContact CD1-CB 4.4Å; L353-N399 WeakPolarHBondContact O-CB 3.46Å; L353-N399 PolarHBondContact O-ND2 3.03Å
354	R	89.3	Confident	92	Very high	151 Å²	151	38.4 Å²	38.4	57%	0.57	22%	0.216	S	C	*	.			trans	-90.8	-10	-173.9	-64.1	-179.8	-175.6	161.3	-5.4	115	P90 D91 V352 W401	P90-R354 PolarHBondContact O-N 3.41Å; P90-R354 VanDerWaalsContact O-N 3.11Å; D91-R354 WeakPolarHBondContact OD1-CD 3.27Å; D91-R354 IonicContact OD1-CZ 3.7Å; D91-R354 IonicContact OD1-NE 3.01Å; D91-R354 IonicContact OD1-NH1 2.84Å; D91-R354 PolarHBondContact OD1-NH1 2.94Å; D91-R354 IonicContact OD2-NH1 3.66Å; V352-R354 PolarHBondContact O-N 2.98Å; R354-W401 PolarHBondContact O-NE1 2.89Å
355	K	92.9	Very high	92.3	Very high	75 Å²	75	38 Å²	38	33%	0.326	21%	0.206	S	C	.	.	S	Bend	trans	-133.2	176.4	176.3	70	-177	-170.3	-159.8	0	110.4	D91 E92 L353 D357 W401	D91-K355 WeakPolarHBondContact O-CD 3.05Å; D91-K355 WeakPolarHBondContact O-CE 3.5Å; D91-K355 PolarHBondContact O-NZ 3.42Å; E92-K355 IonicContact OE1-NZ 3.16Å; E92-K355 PolarHBondContact OE1-NZ 3.45Å; E92-K355 IonicContact OE2-NZ 2.74Å; E92-K355 PolarHBondContact OE2-NZ 2.81Å; L353-K355 HydrophobicContact CD2-CG 4.44Å; L353-K355 VanDerWaalsContact CD2-O 3.3Å; L353-K355 WeakPolarHBondContact CD2-O 3.49Å; K355-D357 PolarHBondContact O-N 3.4Å; K355-W401 VanDerWaalsContact C-CD1 3.48Å
356	T	97	Very high	92.5	Very high	15 Å²	15	37.9 Å²	37.9	9%	0.092	21%	0.205	C	C	.	.			trans	-52.3	130.2	172.3	-56.5	0	0	0	0	110.9	Y360 Y384 P402	T356-Y360 HydrophobicContact CG2-CD1 3.56Å; T356-Y360 HydrophobicContact CG2-CE1 4.36Å; T356-Y360 HydrophobicContact CG2-CG 4.15Å; T356-Y384 HydrophobicContact CG2-CE2 3.92Å; T356-Y384 WeakPolarHBondContact OG1-CE2 3.46Å; T356-Y384 PolarHBondContact OG1-OH 3.15Å; T356-P402 HydrophobicContact CG2-CG 4.08Å
357	D	97.7	Very high	92.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.196	C	C	.	.			trans	-55.1	125	174.9	-177.5	-15.7	0	0	0	109.3	L353 K355 R359 Y360 T361 P402 V404	L353-D357 HydrophobicContact CD1-CB 4.4Å; K355-D357 PolarHBondContact O-N 3.4Å; D357-R359 PolarHBondContact O-N 3.21Å; D357-R359 VanDerWaalsContact O-N 3.08Å; D357-R359 VanDerWaalsContact OD1-CB 3.29Å; D357-R359 WeakPolarHBondContact OD1-CB 3.49Å; D357-R359 WeakPolarHBondContact OD1-CG 3.35Å; D357-R359 PolarHBondContact OD1-N 3.17Å; D357-R359 IonicContact OD1-NE 3.12Å; D357-R359 PolarHBondContact OD1-NE 3.11Å; D357-R359 VanDerWaalsContact OD1-NE 3.16Å; D357-R359 IonicContact OD2-CZ 3.91Å; D357-R359 VanDerWaalsContact OD2-CZ 3.27Å; D357-R359 IonicContact OD2-NE 2.8Å; D357-R359 PolarHBondContact OD2-NE 3.12Å; D357-R359 IonicContact OD2-NH2 3.59Å; D357-R359 PolarHBondContact OD2-NH2 2.86Å; D357-Y360 WeakPolarHBondContact O-CA 3.28Å; D357-Y360 VanDerWaalsContact O-CB 3.29Å; D357-Y360 WeakPolarHBondContact O-CB 3.47Å; D357-Y360 PolarHBondContact O-N 3.12Å; D357-T361 PolarHBondContact O-N 3.04Å; D357-T361 VanDerWaalsContact O-N 3.15Å; D357-P402 WeakPolarHBondContact CB-O 3.47Å; D357-P402 PolarHBondContact N-O 3.29Å; D357-V404 PolarHBondContact OD2-N 3.34Å
358	P	98	Very high	93	Very high	13 Å²	13	39.9 Å²	39.9	8%	0.084	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-22	-179.8	27.4	-37.6	0	0	0	112.8	I101 T361 C362	I101-P358 HydrophobicContact CB-CB 4.09Å; I101-P358 HydrophobicContact CB-CG 4.42Å; I101-P358 HydrophobicContact CG1-CB 4.2Å; I101-P358 HydrophobicContact CG1-CG 4.01Å; P358-T361 PolarHBondContact O-N 2.98Å; P358-C362 PolarHBondContact O-N 2.94Å
359	R	98.6	Very high	93.2	Very high	17 Å²	17	44.9 Å²	44.9	6%	0.064	23%	0.233	C	C	.	.	H	α-helix	trans	-72.9	-27.4	172.7	-54.9	176.7	-66.4	164.4	6.1	113	I94 I101 I264 D357 C362 Q363 V404	I94-R359 HydrophobicContact CG2-CG 4.22Å; I101-R359 HydrophobicContact CD1-CG 4.05Å; I101-R359 HydrophobicContact CG1-CG 3.91Å; I264-R359 HydrophobicContact CB-CB 4.42Å; I264-R359 HydrophobicContact CB-CG 4.17Å; I264-R359 HydrophobicContact CD1-CB 4.32Å; I264-R359 WeakPolarHBondContact O-CD 3.23Å; D357-R359 PolarHBondContact O-N 3.21Å; D357-R359 VanDerWaalsContact O-N 3.08Å; D357-R359 VanDerWaalsContact OD1-CB 3.29Å; D357-R359 WeakPolarHBondContact OD1-CB 3.49Å; D357-R359 WeakPolarHBondContact OD1-CG 3.35Å; D357-R359 PolarHBondContact OD1-N 3.17Å; D357-R359 IonicContact OD1-NE 3.12Å; D357-R359 PolarHBondContact OD1-NE 3.11Å; D357-R359 VanDerWaalsContact OD1-NE 3.16Å; D357-R359 IonicContact OD2-CZ 3.91Å; D357-R359 VanDerWaalsContact OD2-CZ 3.27Å; D357-R359 IonicContact OD2-NE 2.8Å; D357-R359 PolarHBondContact OD2-NE 3.12Å; D357-R359 IonicContact OD2-NH2 3.59Å; D357-R359 PolarHBondContact OD2-NH2 2.86Å; R359-C362 PolarHBondContact O-SG 3.46Å; R359-Q363 WeakPolarHBondContact O-CG 3.3Å; R359-Q363 PolarHBondContact O-NE2 2.91Å; R359-V404 HydrophobicContact CB-CB 3.77Å; R359-V404 HydrophobicContact CB-CG2 3.59Å
360	Y	98.6	Very high	93.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.6	-45.1	167.2	177.2	-85.4	0	0	0	109.9	T356 D357 C362 Q363 R364 V380 Y384 P402 N403 A406 H407	T356-Y360 HydrophobicContact CG2-CD1 3.56Å; T356-Y360 HydrophobicContact CG2-CE1 4.36Å; T356-Y360 HydrophobicContact CG2-CG 4.15Å; D357-Y360 WeakPolarHBondContact O-CA 3.28Å; D357-Y360 VanDerWaalsContact O-CB 3.29Å; D357-Y360 WeakPolarHBondContact O-CB 3.47Å; D357-Y360 PolarHBondContact O-N 3.12Å; Y360-C362 PolarHBondContact O-N 3.01Å; Y360-Q363 PolarHBondContact O-N 3.37Å; Y360-R364 HydrophobicContact CE1-CB 4.42Å; Y360-R364 PolarHBondContact O-N 3.46Å; Y360-V380 HydrophobicContact CE2-CG1 4.37Å; Y360-Y384 HydrophobicContact CD1-CE2 4.44Å; Y360-Y384 AromaticContact CE1-CD2 3.69Å; Y360-Y384 HydrophobicContact CE1-CD2 3.69Å; Y360-Y384 AromaticContact CE1-CE2 3.89Å; Y360-Y384 HydrophobicContact CE1-CE2 3.89Å; Y360-Y384 HydrophobicContact CE1-CG 4.05Å; Y360-Y384 WeakPolarHBondContact OH-CB 3.46Å; Y360-P402 HydrophobicContact CD1-CG 3.87Å; Y360-P402 HydrophobicContact CD2-CB 3.76Å; Y360-P402 HydrophobicContact CD2-CG 3.85Å; Y360-P402 HydrophobicContact CE1-CG 3.85Å; Y360-P402 HydrophobicContact CE2-CB 3.8Å; Y360-P402 HydrophobicContact CE2-CG 3.84Å; Y360-P402 HydrophobicContact CG-CB 4.22Å; Y360-P402 HydrophobicContact CG-CG 3.87Å; Y360-N403 WeakPolarHBondContact CD2-O 3.32Å; Y360-A406 HydrophobicContact CD2-CB 3.95Å; Y360-A406 HydrophobicContact CE2-CB 3.85Å; Y360-H407 HydrophobicContact CD2-CB 3.66Å; Y360-H407 HydrophobicContact CE2-CB 3.72Å; Y360-H407 AromaticContact CE2-CD2 3.6Å; Y360-H407 AromaticContact CZ-CD2 3.65Å
361	T	98.7	Very high	94.8	Very high	46 Å²	46	42.2 Å²	42.2	28%	0.282	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-47.5	-178.1	-59.7	0	0	0	0	112.6	D357 P358 Q363 R364 E365	D357-T361 PolarHBondContact O-N 3.04Å; D357-T361 VanDerWaalsContact O-N 3.15Å; P358-T361 PolarHBondContact O-N 2.98Å; T361-Q363 VanDerWaalsContact C-N 3.3Å; T361-Q363 PolarHBondContact O-N 3.04Å; T361-R364 WeakPolarHBondContact O-CB 3.45Å; T361-R364 PolarHBondContact O-N 3.39Å; T361-R364 VanDerWaalsContact O-N 3.12Å; T361-E365 WeakPolarHBondContact O-CG 3.37Å; T361-E365 PolarHBondContact O-N 3.28Å
362	C	98.6	Very high	96	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-35.6	179.9	66	0	0	0	0	112.5	I101 L260 P358 R359 Y360 E365 F366	I101-C362 HydrophobicContact CG2-CB 4.3Å; L260-C362 HydrophobicContact CD1-CB 4.38Å; P358-C362 PolarHBondContact O-N 2.94Å; R359-C362 PolarHBondContact O-SG 3.46Å; Y360-C362 PolarHBondContact O-N 3.01Å; C362-E365 PolarHBondContact O-N 3.15Å; C362-F366 PolarHBondContact O-N 3.09Å
363	Q	98.9	Very high	96.9	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-66.9	-37.4	173.9	-76.3	-176.4	110	0	0	112.4	I264 R359 Y360 T361 F366 A367 V404 H407 L411	I264-Q363 HydrophobicContact CD1-CG 3.7Å; R359-Q363 WeakPolarHBondContact O-CG 3.3Å; R359-Q363 PolarHBondContact O-NE2 2.91Å; Y360-Q363 PolarHBondContact O-N 3.37Å; T361-Q363 VanDerWaalsContact C-N 3.3Å; T361-Q363 PolarHBondContact O-N 3.04Å; Q363-F366 WeakPolarHBondContact O-CB 3.4Å; Q363-F366 PolarHBondContact O-N 3.48Å; Q363-A367 PolarHBondContact O-N 3.4Å; Q363-V404 PolarHBondContact NE2-O 3.2Å; Q363-H407 HydrophobicContact CB-CB 4.17Å; Q363-L411 HydrophobicContact CB-CD1 3.74Å; Q363-L411 HydrophobicContact CG-CD1 3.8Å
364	R	98.8	Very high	97.6	Very high	58 Å²	58	45.4 Å²	45.4	22%	0.219	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-44	172.8	178.5	-178.5	175.3	76.3	1.7	111.8	Y360 T361 F366 A367 L368 H407	Y360-R364 HydrophobicContact CE1-CB 4.42Å; Y360-R364 PolarHBondContact O-N 3.46Å; T361-R364 WeakPolarHBondContact O-CB 3.45Å; T361-R364 PolarHBondContact O-N 3.39Å; T361-R364 VanDerWaalsContact O-N 3.12Å; R364-F366 VanDerWaalsContact C-N 3.33Å; R364-A367 PolarHBondContact O-N 3.14Å; R364-L368 HydrophobicContact CG-CD1 4.09Å; R364-L368 HydrophobicContact CG-CG 4.44Å; R364-L368 VanDerWaalsContact O-CG 3.29Å; R364-L368 WeakPolarHBondContact O-CG 3.26Å; R364-L368 PolarHBondContact O-N 3.49Å; R364-H407 VanDerWaalsContact CA-NE2 3.3Å; R364-H407 WeakPolarHBondContact CA-NE2 3.17Å
365	E	98.8	Very high	97.9	Very high	102 Å²	102	41.9 Å²	41.9	48%	0.477	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-43.4	176.3	-71.6	170.6	179.4	0	0	111.4	T361 C362 A367 L368 K369	T361-E365 WeakPolarHBondContact O-CG 3.37Å; T361-E365 PolarHBondContact O-N 3.28Å; C362-E365 PolarHBondContact O-N 3.15Å; E365-A367 PolarHBondContact O-N 3Å; E365-L368 PolarHBondContact O-N 3.32Å; E365-K369 PolarHBondContact O-N 3.3Å
366	F	98.8	Very high	98.1	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.013	20%	0.2	C	C	.	.	H	α-helix	trans	-57.4	-49.2	173	-173.3	-83	0	0	0	111.5	E116 Q253 E256 L257 L260 C362 Q363 R364 L368 K369 H370 L371 L411 Y415	E116-F366 HydrophobicContact CG-CD2 4.26Å; E116-F366 HydrophobicContact CG-CE2 4.3Å; Q253-F366 WeakPolarHBondContact O-CZ 3.39Å; E256-F366 HydrophobicContact CB-CE2 3.97Å; E256-F366 HydrophobicContact CB-CZ 4.44Å; L257-F366 HydrophobicContact CB-CE1 4.01Å; L257-F366 HydrophobicContact CB-CE2 4.38Å; L257-F366 HydrophobicContact CB-CZ 3.75Å; L257-F366 HydrophobicContact CD1-CD1 4.33Å; L257-F366 HydrophobicContact CD1-CE1 4.23Å; L260-F366 HydrophobicContact CD2-CB 4.03Å; L260-F366 HydrophobicContact CD2-CD2 4.17Å; L260-F366 HydrophobicContact CD2-CG 4.31Å; C362-F366 PolarHBondContact O-N 3.09Å; Q363-F366 WeakPolarHBondContact O-CB 3.4Å; Q363-F366 PolarHBondContact O-N 3.48Å; R364-F366 VanDerWaalsContact C-N 3.33Å; F366-L368 PolarHBondContact O-N 2.78Å; F366-K369 PolarHBondContact O-N 3.34Å; F366-H370 HydrophobicContact CD1-CB 4.49Å; F366-H370 AromaticContact CD2-CD2 3.71Å; F366-H370 HydrophobicContact CE1-CB 4.09Å; F366-H370 AromaticContact CE1-CD2 3.95Å; F366-H370 AromaticContact CE2-CD2 3.59Å; F366-H370 AromaticContact CG-CD2 3.93Å; F366-H370 HydrophobicContact CZ-CB 4.41Å; F366-H370 AromaticContact CZ-CD2 3.71Å; F366-H370 WeakPolarHBondContact O-CB 3.43Å; F366-H370 PolarHBondContact O-CD2 2.91Å; F366-H370 VanDerWaalsContact O-CD2 3.23Å; F366-H370 PolarHBondContact O-N 3.4Å; F366-L371 HydrophobicContact CD1-CD2 4.24Å; F366-L371 HydrophobicContact CE1-CD2 4.2Å; F366-L411 HydrophobicContact CD1-CD2 4.36Å; F366-Y415 AromaticContact CE1-CE2 3.97Å; F366-Y415 HydrophobicContact CE1-CE2 3.97Å; F366-Y415 HydrophobicContact CZ-CE2 4.47Å
367	A	98.8	Very high	98.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-43.1	178.5	0	0	0	0	0	113.6	Q363 R364 E365 K369 H370 L371 P372 F377 L411	Q363-A367 PolarHBondContact O-N 3.4Å; R364-A367 PolarHBondContact O-N 3.14Å; E365-A367 PolarHBondContact O-N 3Å; A367-K369 PolarHBondContact O-N 3.21Å; A367-H370 PolarHBondContact O-N 3.22Å; A367-L371 HydrophobicContact CB-CD1 4.35Å; A367-L371 HydrophobicContact CB-CD2 4.22Å; A367-L371 HydrophobicContact CB-CG 4.02Å; A367-L371 CarbonylContact O-C 3.58Å; A367-L371 WeakPolarHBondContact O-CA 3.43Å; A367-L371 PolarHBondContact O-N 3.29Å; A367-P372 VanDerWaalsContact O-N 3.14Å; A367-F377 HydrophobicContact CB-CD1 4.14Å; A367-F377 HydrophobicContact CB-CD2 3.41Å; A367-F377 VanDerWaalsContact CB-CD2 3.41Å; A367-F377 HydrophobicContact CB-CE1 4.05Å; A367-F377 HydrophobicContact CB-CE2 3.31Å; A367-F377 HydrophobicContact CB-CG 3.84Å; A367-F377 HydrophobicContact CB-CZ 3.64Å; A367-L411 HydrophobicContact CB-CD2 3.8Å
368	L	98.7	Very high	98.1	Very high	87 Å²	87	42.1 Å²	42.1	46%	0.455	21%	0.214	S	C	.	.	H	α-helix	trans	-59.1	-32.3	177.6	-74.3	168.7	0	0	0	112.3	R364 E365 F366 P372 F377	R364-L368 HydrophobicContact CG-CD1 4.09Å; R364-L368 HydrophobicContact CG-CG 4.44Å; R364-L368 VanDerWaalsContact O-CG 3.29Å; R364-L368 WeakPolarHBondContact O-CG 3.26Å; R364-L368 PolarHBondContact O-N 3.49Å; E365-L368 PolarHBondContact O-N 3.32Å; F366-L368 PolarHBondContact O-N 2.78Å; L368-P372 WeakPolarHBondContact O-CB 3.48Å; L368-F377 HydrophobicContact CD2-CE1 4.01Å; L368-F377 HydrophobicContact CD2-CZ 3.77Å; L368-F377 HydrophobicContact CG-CE1 4.42Å; L368-F377 HydrophobicContact CG-CZ 3.88Å
369	K	98.6	Very high	98	Very high	130 Å²	130	42.1 Å²	42.1	57%	0.565	21%	0.213	S	C	*	.	H	α-helix	trans	-83.4	-38	179.8	-175	177.5	165	-151.7	0	113	E365 F366 A367	E365-K369 PolarHBondContact O-N 3.3Å; F366-K369 PolarHBondContact O-N 3.34Å; A367-K369 PolarHBondContact O-N 3.21Å
370	H	98.6	Very high	98	Very high	37 Å²	37	41.5 Å²	41.5	17%	0.171	21%	0.211	C	C	.	.	H	α-helix	trans	-113.3	-23.9	-164.7	-61.9	-65.2	0	0	0	114.9	Q253 F366 A367	Q253-H370 PolarHBondContact OE1-CE1 2.93Å; Q253-H370 PolarHBondContact OE1-ND1 3.38Å; F366-H370 HydrophobicContact CD1-CB 4.49Å; F366-H370 AromaticContact CD2-CD2 3.71Å; F366-H370 HydrophobicContact CE1-CB 4.09Å; F366-H370 AromaticContact CE1-CD2 3.95Å; F366-H370 AromaticContact CE2-CD2 3.59Å; F366-H370 AromaticContact CG-CD2 3.93Å; F366-H370 HydrophobicContact CZ-CB 4.41Å; F366-H370 AromaticContact CZ-CD2 3.71Å; F366-H370 WeakPolarHBondContact O-CB 3.43Å; F366-H370 PolarHBondContact O-CD2 2.91Å; F366-H370 VanDerWaalsContact O-CD2 3.23Å; F366-H370 PolarHBondContact O-N 3.4Å; A367-H370 PolarHBondContact O-N 3.22Å
371	L	98.2	Very high	97.9	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	22%	0.219	C	C	.	.			trans	-145	45.8	180	58.5	142.8	0	0	0	113.4	F366 A367 N373 D374 F377 L411 Y414 Y415	F366-L371 HydrophobicContact CD1-CD2 4.24Å; F366-L371 HydrophobicContact CE1-CD2 4.2Å; A367-L371 HydrophobicContact CB-CD1 4.35Å; A367-L371 HydrophobicContact CB-CD2 4.22Å; A367-L371 HydrophobicContact CB-CG 4.02Å; A367-L371 CarbonylContact O-C 3.58Å; A367-L371 WeakPolarHBondContact O-CA 3.43Å; A367-L371 PolarHBondContact O-N 3.29Å; L371-N373 PolarHBondContact O-N 3.2Å; L371-N373 VanDerWaalsContact O-N 3.1Å; L371-D374 HydrophobicContact CB-CB 4.21Å; L371-D374 HydrophobicContact CD1-CB 4.05Å; L371-D374 WeakPolarHBondContact O-CB 3.36Å; L371-D374 PolarHBondContact O-N 3.3Å; L371-D374 VanDerWaalsContact O-N 3.16Å; L371-F377 HydrophobicContact CD1-CB 4.15Å; L371-F377 WeakPolarHBondContact O-CD1 3.34Å; L371-L411 HydrophobicContact CD1-CD2 4.13Å; L371-L411 HydrophobicContact CD2-CD2 4.04Å; L371-Y414 HydrophobicContact CB-CD1 3.9Å; L371-Y414 HydrophobicContact CB-CD2 3.85Å; L371-Y414 HydrophobicContact CB-CE1 3.68Å; L371-Y414 HydrophobicContact CB-CE2 3.62Å; L371-Y414 HydrophobicContact CB-CG 3.98Å; L371-Y414 HydrophobicContact CD1-CD1 4.15Å; L371-Y414 HydrophobicContact CD1-CD2 4.02Å; L371-Y414 HydrophobicContact CD1-CG 3.74Å; L371-Y414 HydrophobicContact CD2-CD1 4.16Å; L371-Y414 HydrophobicContact CD2-CE1 4.42Å; L371-Y414 HydrophobicContact CG-CD1 4.3Å; L371-Y414 HydrophobicContact CG-CG 4.31Å; L371-Y415 HydrophobicContact CD2-CE2 4.37Å
372	P	98.2	Very high	97.9	Very high	55 Å²	55	41.9 Å²	41.9	36%	0.357	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.7	-173.8	26.8	-35.8	0	0	0	113.9	A367 L368	A367-P372 VanDerWaalsContact O-N 3.14Å; L368-P372 WeakPolarHBondContact O-CB 3.48Å
373	N	97.3	Very high	97.8	Very high	128 Å²	128	42 Å²	42	68%	0.684	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-4.3	-177	-65	-41.1	0	0	0	113.3	L371	L371-N373 PolarHBondContact O-N 3.2Å; L371-N373 VanDerWaalsContact O-N 3.1Å
374	D	97.3	Very high	97.8	Very high	29 Å²	29	45 Å²	45	16%	0.155	23%	0.225	C	C	.	.			trans	-62.2	127.5	178.8	174.5	68.4	0	0	0	110.8	L371 M376 F377 K378 Y414	L371-D374 HydrophobicContact CB-CB 4.21Å; L371-D374 HydrophobicContact CD1-CB 4.05Å; L371-D374 WeakPolarHBondContact O-CB 3.36Å; L371-D374 PolarHBondContact O-N 3.3Å; L371-D374 VanDerWaalsContact O-N 3.16Å; D374-M376 VanDerWaalsContact C-N 3.31Å; D374-M376 PolarHBondContact O-N 3.17Å; D374-M376 WeakPolarHBondContact OD2-CA 3.4Å; D374-M376 WeakPolarHBondContact OD2-CB 3.26Å; D374-M376 PolarHBondContact OD2-N 3.36Å; D374-F377 HydrophobicContact CB-CB 4Å; D374-F377 PolarHBondContact O-N 3.5Å; D374-F377 PolarHBondContact OD2-N 3.15Å; D374-K378 WeakPolarHBondContact O-CG 3.5Å; D374-K378 PolarHBondContact O-N 3.44Å; D374-Y414 HydrophobicContact CB-CD2 3.79Å; D374-Y414 HydrophobicContact CB-CE2 4.08Å
375	P	95.7	Very high	97.7	Very high	78 Å²	78	48.3 Å²	48.3	51%	0.506	24%	0.241	S	C	.	.	H	α-helix	trans	-59.8	-36.7	-177.4	-27.5	36.1	0	0	0	114.3	K378 L379	P375-K378 PolarHBondContact O-N 3.33Å; P375-L379 PolarHBondContact O-N 2.98Å; P375-L379 VanDerWaalsContact O-N 3.09Å
376	M	96	Very high	97.6	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-73.6	-38.1	179.8	-78.1	-68.1	-70.7	0	0	111.3	L312 L315 Q319 D374 L379 V380 V410	L312-M376 HydrophobicContact CD1-CE 3.79Å; L315-M376 HydrophobicContact CB-CE 3.38Å; L315-M376 HydrophobicContact CB-SD 4.49Å; L315-M376 HydrophobicContact CD1-CE 4.18Å; L315-M376 HydrophobicContact CG-CE 4.4Å; Q319-M376 HydrophobicContact CB-SD 4.32Å; Q319-M376 PolarHBondContact OE1-SD 3.38Å; D374-M376 VanDerWaalsContact C-N 3.31Å; D374-M376 PolarHBondContact O-N 3.17Å; D374-M376 WeakPolarHBondContact OD2-CA 3.4Å; D374-M376 WeakPolarHBondContact OD2-CB 3.26Å; D374-M376 PolarHBondContact OD2-N 3.36Å; M376-L379 WeakPolarHBondContact O-CB 3.47Å; M376-L379 PolarHBondContact O-N 3.23Å; M376-L379 HydrophobicContact SD-CD2 4.32Å; M376-V380 WeakPolarHBondContact O-CG2 3.4Å; M376-V380 PolarHBondContact O-N 3.47Å; M376-V410 HydrophobicContact CB-CB 4.33Å; M376-V410 HydrophobicContact CB-CG1 3.92Å; M376-V410 HydrophobicContact CE-CG1 4.02Å
377	F	97.7	Very high	97.6	Very high	5 Å²	5	44 Å²	44	2%	0.022	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-43.8	170.4	171.4	-117.2	0	0	0	112.2	A367 L368 L371 D374 L379 V380 A381 H407	A367-F377 HydrophobicContact CB-CD1 4.14Å; A367-F377 HydrophobicContact CB-CD2 3.41Å; A367-F377 VanDerWaalsContact CB-CD2 3.41Å; A367-F377 HydrophobicContact CB-CE1 4.05Å; A367-F377 HydrophobicContact CB-CE2 3.31Å; A367-F377 HydrophobicContact CB-CG 3.84Å; A367-F377 HydrophobicContact CB-CZ 3.64Å; L368-F377 HydrophobicContact CD2-CE1 4.01Å; L368-F377 HydrophobicContact CD2-CZ 3.77Å; L368-F377 HydrophobicContact CG-CE1 4.42Å; L368-F377 HydrophobicContact CG-CZ 3.88Å; L371-F377 HydrophobicContact CD1-CB 4.15Å; L371-F377 WeakPolarHBondContact O-CD1 3.34Å; D374-F377 HydrophobicContact CB-CB 4Å; D374-F377 PolarHBondContact O-N 3.5Å; D374-F377 PolarHBondContact OD2-N 3.15Å; F377-L379 PolarHBondContact O-N 3.21Å; F377-V380 PolarHBondContact O-N 2.86Å; F377-V380 VanDerWaalsContact O-N 3.15Å; F377-A381 HydrophobicContact CE2-CB 4.36Å; F377-A381 HydrophobicContact CZ-CB 4.32Å; F377-A381 WeakPolarHBondContact O-CB 3.21Å; F377-A381 PolarHBondContact O-N 3.23Å; F377-H407 AromaticContact CD2-CE1 3.68Å; F377-H407 AromaticContact CD2-NE2 3.84Å; F377-H407 AromaticContact CE2-CE1 3.77Å; F377-H407 AromaticContact CE2-NE2 3.54Å
378	K	96.9	Very high	97.5	Very high	86 Å²	86	44.1 Å²	44.1	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-56	-41.7	174.5	-76.1	-179.3	174.2	-175.6	0	111.4	E325 D374 P375 A381 Q382	E325-K378 IonicContact OE1-NZ 3.65Å; E325-K378 PolarHBondContact OE1-NZ 2.79Å; D374-K378 WeakPolarHBondContact O-CG 3.5Å; D374-K378 PolarHBondContact O-N 3.44Å; P375-K378 PolarHBondContact O-N 3.33Å; K378-A381 PolarHBondContact O-N 3.38Å; K378-Q382 WeakPolarHBondContact O-CB 3.48Å; K378-Q382 PolarHBondContact O-N 2.87Å
379	L	96.5	Very high	97.4	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.068	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-48.9	174.9	-179.5	60.2	0	0	0	111.9	L315 L318 Q319 M331 P375 M376 F377 A381 Q382 L383	L315-L379 HydrophobicContact CB-CD2 4.46Å; L315-L379 HydrophobicContact CD2-CD2 4.08Å; L315-L379 HydrophobicContact CD2-CG 4.2Å; L318-L379 HydrophobicContact CD2-CD1 4.03Å; L318-L379 HydrophobicContact CD2-CD2 4.2Å; L318-L379 HydrophobicContact CD2-CG 4.41Å; L318-L379 HydrophobicContact CG-CD1 4.42Å; L318-L379 HydrophobicContact CG-CD2 4.29Å; Q319-L379 HydrophobicContact CB-CD2 4.02Å; M331-L379 HydrophobicContact CE-CD1 3.36Å; P375-L379 PolarHBondContact O-N 2.98Å; P375-L379 VanDerWaalsContact O-N 3.09Å; M376-L379 WeakPolarHBondContact O-CB 3.47Å; M376-L379 PolarHBondContact O-N 3.23Å; M376-L379 HydrophobicContact SD-CD2 4.32Å; F377-L379 PolarHBondContact O-N 3.21Å; L379-A381 VanDerWaalsContact C-N 3.3Å; L379-A381 PolarHBondContact O-N 3.23Å; L379-Q382 PolarHBondContact O-N 3.36Å; L379-L383 HydrophobicContact CD1-CD1 4.48Å; L379-L383 HydrophobicContact CG-CD1 4.23Å; L379-L383 WeakPolarHBondContact O-CG 3.44Å; L379-L383 PolarHBondContact O-N 3.26Å
380	V	97.8	Very high	97.3	Very high	3 Å²	3	38 Å²	38	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-42.5	175.2	170.8	0	0	0	0	111.4	L315 Y360 M376 F377 Q382 L383 Y384 V410	L315-V380 HydrophobicContact CD1-CG2 3.55Å; L315-V380 HydrophobicContact CD2-CG2 4.15Å; Y360-V380 HydrophobicContact CE2-CG1 4.37Å; M376-V380 WeakPolarHBondContact O-CG2 3.4Å; M376-V380 PolarHBondContact O-N 3.47Å; F377-V380 PolarHBondContact O-N 2.86Å; F377-V380 VanDerWaalsContact O-N 3.15Å; V380-Q382 PolarHBondContact O-N 2.89Å; V380-L383 PolarHBondContact O-N 2.98Å; V380-Y384 PolarHBondContact O-N 3.38Å; V380-V410 HydrophobicContact CG2-CG1 3.75Å; V380-V410 HydrophobicContact CG2-CG2 4.03Å
381	A	97.6	Very high	97.2	Very high	21 Å²	21	36.7 Å²	36.7	17%	0.174	19%	0.191	C	C	.	.	H	α-helix	trans	-66.3	-36.5	177.7	0	0	0	0	0	112.9	F377 K378 L379 Y384 K385	F377-A381 HydrophobicContact CE2-CB 4.36Å; F377-A381 HydrophobicContact CZ-CB 4.32Å; F377-A381 WeakPolarHBondContact O-CB 3.21Å; F377-A381 PolarHBondContact O-N 3.23Å; K378-A381 PolarHBondContact O-N 3.38Å; L379-A381 VanDerWaalsContact C-N 3.3Å; L379-A381 PolarHBondContact O-N 3.23Å; A381-Y384 WeakPolarHBondContact O-CB 3.38Å; A381-Y384 PolarHBondContact O-N 2.99Å; A381-K385 PolarHBondContact O-N 3.2Å
382	Q	97.2	Very high	97	Very high	34 Å²	34	41.1 Å²	41.1	16%	0.159	21%	0.214	C	C	.	.	H	α-helix	trans	-68.1	-42.5	174.5	-171	178.2	32.4	0	0	111.3	V326 D328 M331 K378 L379 V380 Y384 K385 I386	V326-Q382 PolarHBondContact O-NE2 3.16Å; D328-Q382 PolarHBondContact OD1-NE2 3.35Å; M331-Q382 HydrophobicContact CG-CG 4.5Å; K378-Q382 WeakPolarHBondContact O-CB 3.48Å; K378-Q382 PolarHBondContact O-N 2.87Å; L379-Q382 PolarHBondContact O-N 3.36Å; V380-Q382 PolarHBondContact O-N 2.89Å; Q382-Y384 VanDerWaalsContact C-N 3.29Å; Q382-Y384 PolarHBondContact O-N 3.23Å; Q382-K385 WeakPolarHBondContact O-CB 3.43Å; Q382-K385 PolarHBondContact O-N 3.36Å; Q382-K385 VanDerWaalsContact O-N 3.1Å; Q382-I386 HydrophobicContact CG-CD1 3.75Å; Q382-I386 WeakPolarHBondContact O-CG1 3.44Å; Q382-I386 PolarHBondContact O-N 2.65Å
383	L	97.6	Very high	96.9	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-39.9	174.7	-71.3	165.3	0	0	0	111.7	W314 L315 L318 M331 I335 L379 V380 K385 I386 V387	W314-L383 HydrophobicContact CH2-CD1 4.15Å; W314-L383 HydrophobicContact CH2-CD2 3.93Å; W314-L383 HydrophobicContact CZ3-CD1 3.65Å; W314-L383 HydrophobicContact CZ3-CD2 4.29Å; L315-L383 HydrophobicContact CD2-CD1 3.34Å; L318-L383 HydrophobicContact CD2-CD1 4.17Å; L318-L383 HydrophobicContact CD2-CD2 4.21Å; M331-L383 HydrophobicContact CG-CD2 4.37Å; M331-L383 HydrophobicContact SD-CD2 3.8Å; I335-L383 HydrophobicContact CD1-CD2 3.8Å; I335-L383 HydrophobicContact CG1-CD2 4.38Å; L379-L383 HydrophobicContact CD1-CD1 4.48Å; L379-L383 HydrophobicContact CG-CD1 4.23Å; L379-L383 WeakPolarHBondContact O-CG 3.44Å; L379-L383 PolarHBondContact O-N 3.26Å; V380-L383 PolarHBondContact O-N 2.98Å; L383-K385 PolarHBondContact O-N 2.87Å; L383-I386 PolarHBondContact O-N 2.99Å; L383-I386 VanDerWaalsContact O-N 3.1Å; L383-V387 HydrophobicContact CB-CG2 4.09Å; L383-V387 HydrophobicContact CD2-CG2 3.73Å; L383-V387 WeakPolarHBondContact O-CB 3.3Å; L383-V387 WeakPolarHBondContact O-CG2 3.38Å; L383-V387 PolarHBondContact O-N 2.67Å
384	Y	97.9	Very high	96.8	Very high	63 Å²	63	39.6 Å²	39.6	25%	0.247	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-34.6	175.4	-174.4	-121.2	0	0	0	113.4	Y348 T356 Y360 V380 A381 Q382 P388 P402	Y348-Y384 WeakPolarHBondContact OH-CA 3.48Å; Y348-Y384 PolarHBondContact OH-N 3.36Å; T356-Y384 HydrophobicContact CG2-CE2 3.92Å; T356-Y384 WeakPolarHBondContact OG1-CE2 3.46Å; T356-Y384 PolarHBondContact OG1-OH 3.15Å; Y360-Y384 HydrophobicContact CD1-CE2 4.44Å; Y360-Y384 AromaticContact CE1-CD2 3.69Å; Y360-Y384 HydrophobicContact CE1-CD2 3.69Å; Y360-Y384 AromaticContact CE1-CE2 3.89Å; Y360-Y384 HydrophobicContact CE1-CE2 3.89Å; Y360-Y384 HydrophobicContact CE1-CG 4.05Å; Y360-Y384 WeakPolarHBondContact OH-CB 3.46Å; V380-Y384 PolarHBondContact O-N 3.38Å; A381-Y384 WeakPolarHBondContact O-CB 3.38Å; A381-Y384 PolarHBondContact O-N 2.99Å; Q382-Y384 VanDerWaalsContact C-N 3.29Å; Q382-Y384 PolarHBondContact O-N 3.23Å; Y384-P388 VanDerWaalsContact O-CD 3.28Å; Y384-P388 WeakPolarHBondContact O-CD 3.5Å; Y384-P388 WeakPolarHBondContact O-CG 3.2Å; Y384-P402 HydrophobicContact CD2-CG 3.74Å; Y384-P402 HydrophobicContact CE2-CG 3.83Å
385	K	97.5	Very high	96.6	Very high	129 Å²	129	41.2 Å²	41.2	56%	0.561	22%	0.222	S	C	*	.	H	α-helix	trans	-72.3	-33.9	176.5	-177.6	-174.8	177.9	-172.8	0	112.4	D328 A381 Q382 L383 N389	D328-K385 WeakPolarHBondContact OD2-CE 3.47Å; D328-K385 IonicContact OD2-NZ 3.08Å; D328-K385 PolarHBondContact OD2-NZ 2.7Å; A381-K385 PolarHBondContact O-N 3.2Å; Q382-K385 WeakPolarHBondContact O-CB 3.43Å; Q382-K385 PolarHBondContact O-N 3.36Å; Q382-K385 VanDerWaalsContact O-N 3.1Å; L383-K385 PolarHBondContact O-N 2.87Å; K385-N389 PolarHBondContact O-ND2 2.97Å
386	I	97.6	Very high	96.3	Very high	13 Å²	13	45.6 Å²	45.6	7%	0.067	23%	0.232	C	C	.	.	H	α-helix	trans	-102.2	-51.2	-165.6	-64.4	172	0	0	0	112.6	D328 M331 R332 Q382 L383 N389 V390	D328-I386 HydrophobicContact CB-CD1 3.96Å; M331-I386 HydrophobicContact CB-CD1 3.67Å; M331-I386 HydrophobicContact CG-CD1 3.59Å; R332-I386 HydrophobicContact CB-CG2 3.85Å; R332-I386 HydrophobicContact CG-CG2 4.38Å; Q382-I386 HydrophobicContact CG-CD1 3.75Å; Q382-I386 WeakPolarHBondContact O-CG1 3.44Å; Q382-I386 PolarHBondContact O-N 2.65Å; L383-I386 PolarHBondContact O-N 2.99Å; L383-I386 VanDerWaalsContact O-N 3.1Å; I386-N389 PolarHBondContact O-N 3.23Å; I386-V390 HydrophobicContact CG2-CG2 4.06Å; I386-V390 PolarHBondContact O-N 3.27Å
387	V	97.6	Very high	96	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-43.7	-168.8	176.2	0	0	0	0	112.6	I335 V345 Y348 L383 N389 V390 L391	I335-V387 HydrophobicContact CD1-CG2 3.94Å; I335-V387 HydrophobicContact CG1-CG2 4.05Å; I335-V387 HydrophobicContact CG2-CG2 4.36Å; V345-V387 HydrophobicContact CB-CG1 4.24Å; V345-V387 HydrophobicContact CG1-CG1 4.1Å; V345-V387 HydrophobicContact CG1-CG2 4.23Å; V345-V387 HydrophobicContact CG2-CG1 4.23Å; Y348-V387 HydrophobicContact CD1-CB 3.93Å; Y348-V387 HydrophobicContact CD1-CG1 3.44Å; Y348-V387 VanDerWaalsContact CD1-CG1 3.44Å; Y348-V387 HydrophobicContact CD2-CG1 4.14Å; Y348-V387 HydrophobicContact CE1-CB 3.78Å; Y348-V387 HydrophobicContact CE1-CG1 3.85Å; Y348-V387 HydrophobicContact CG-CB 4.39Å; Y348-V387 HydrophobicContact CG-CG1 3.61Å; L383-V387 HydrophobicContact CB-CG2 4.09Å; L383-V387 HydrophobicContact CD2-CG2 3.73Å; L383-V387 WeakPolarHBondContact O-CB 3.3Å; L383-V387 WeakPolarHBondContact O-CG2 3.38Å; L383-V387 PolarHBondContact O-N 2.67Å; V387-N389 VanDerWaalsContact C-N 3.32Å; V387-N389 PolarHBondContact O-N 2.79Å; V387-V390 PolarHBondContact O-N 3.45Å; V387-L391 HydrophobicContact CG1-CD1 3.74Å; V387-L391 HydrophobicContact CG1-CG 4.04Å; V387-L391 WeakPolarHBondContact O-CG 3.47Å; V387-L391 PolarHBondContact O-N 2.98Å
388	P	96.8	Very high	95.6	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-42.3	-178.9	-27.2	36.6	0	0	0	113.4	Y348 Y384 L391 L392 P400 W401	Y348-P388 HydrophobicContact CE1-CG 4.06Å; Y384-P388 VanDerWaalsContact O-CD 3.28Å; Y384-P388 WeakPolarHBondContact O-CD 3.5Å; Y384-P388 WeakPolarHBondContact O-CG 3.2Å; P388-L391 PolarHBondContact O-N 3.13Å; P388-L392 VanDerWaalsContact O-CG 3.32Å; P388-L392 WeakPolarHBondContact O-CG 3.37Å; P388-L392 PolarHBondContact O-N 3.28Å; P388-P400 HydrophobicContact CB-CB 4.45Å; P388-P400 HydrophobicContact CB-CG 4.44Å; P388-W401 HydrophobicContact CB-CE3 3.83Å; P388-W401 HydrophobicContact CB-CH2 4.29Å; P388-W401 HydrophobicContact CB-CZ3 3.6Å; P388-W401 HydrophobicContact CG-CE3 3.91Å; P388-W401 HydrophobicContact CG-CZ3 3.92Å
389	N	96.4	Very high	95.4	Very high	88 Å²	88	51.3 Å²	51.3	47%	0.471	26%	0.264	S	S	.	.	H	α-helix	trans	-66.6	-42	178.8	-69.6	-36.2	0	0	0	111.6	K385 I386 V387 L391 L392 E393	K385-N389 PolarHBondContact O-ND2 2.97Å; I386-N389 PolarHBondContact O-N 3.23Å; V387-N389 VanDerWaalsContact C-N 3.32Å; V387-N389 PolarHBondContact O-N 2.79Å; N389-L391 VanDerWaalsContact C-N 3.33Å; N389-L391 PolarHBondContact O-N 3.47Å; N389-L392 PolarHBondContact O-N 3.12Å; N389-E393 WeakPolarHBondContact O-CG 3.27Å; N389-E393 PolarHBondContact O-N 3.49Å
390	V	97.1	Very high	95.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-41.9	176.5	176.6	0	0	0	0	111.3	R332 I335 W336 L339 I386 V387 E393 Q394	R332-V390 HydrophobicContact CG-CG2 3.9Å; I335-V390 HydrophobicContact CG2-CB 4.16Å; I335-V390 HydrophobicContact CG2-CG1 3.82Å; I335-V390 HydrophobicContact CG2-CG2 4.45Å; W336-V390 HydrophobicContact CD2-CG1 3.88Å; W336-V390 HydrophobicContact CE3-CG1 4.49Å; W336-V390 HydrophobicContact CG-CG1 4.04Å; W336-V390 HydrophobicContact CZ2-CG1 4.25Å; L339-V390 HydrophobicContact CD1-CG1 3.67Å; I386-V390 HydrophobicContact CG2-CG2 4.06Å; I386-V390 PolarHBondContact O-N 3.27Å; V387-V390 PolarHBondContact O-N 3.45Å; V390-E393 PolarHBondContact O-N 2.69Å; V390-Q394 WeakPolarHBondContact O-CB 3.39Å; V390-Q394 PolarHBondContact O-N 2.92Å
391	L	96.1	Very high	95.3	Very high	10 Å²	10	54.5 Å²	54.5	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-67.5	-36.7	177.7	-70.7	177.7	0	0	0	112.7	L339 V387 P388 N389 Q394 G395 A397 P400	L339-L391 HydrophobicContact CD1-CD2 3.85Å; L339-L391 HydrophobicContact CD2-CD2 3.96Å; V387-L391 HydrophobicContact CG1-CD1 3.74Å; V387-L391 HydrophobicContact CG1-CG 4.04Å; V387-L391 WeakPolarHBondContact O-CG 3.47Å; V387-L391 PolarHBondContact O-N 2.98Å; P388-L391 PolarHBondContact O-N 3.13Å; N389-L391 VanDerWaalsContact C-N 3.33Å; N389-L391 PolarHBondContact O-N 3.47Å; L391-Q394 PolarHBondContact O-N 3.28Å; L391-G395 PolarHBondContact O-N 3.32Å; L391-A397 HydrophobicContact CB-CB 4.17Å; L391-A397 HydrophobicContact CD2-CB 4.35Å; L391-P400 HydrophobicContact CB-CB 3.56Å; L391-P400 HydrophobicContact CD1-CB 4.03Å; L391-P400 HydrophobicContact CG-CB 4.45Å
392	L	94.9	Very high	95.2	Very high	95 Å²	95	53.7 Å²	53.7	50%	0.497	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-47	173.1	-73.6	170.3	0	0	0	111.5	P388 N389 Q394 G395 P400	P388-L392 VanDerWaalsContact O-CG 3.32Å; P388-L392 WeakPolarHBondContact O-CG 3.37Å; P388-L392 PolarHBondContact O-N 3.28Å; N389-L392 PolarHBondContact O-N 3.12Å; L392-Q394 VanDerWaalsContact C-N 3.29Å; L392-Q394 PolarHBondContact O-N 3.41Å; L392-G395 PolarHBondContact O-N 2.85Å; L392-G395 VanDerWaalsContact O-N 3.11Å; L392-P400 HydrophobicContact CD1-CG 4.34Å; L392-P400 HydrophobicContact CD2-CG 3.8Å; L392-P400 HydrophobicContact CG-CB 4.29Å; L392-P400 HydrophobicContact CG-CG 3.79Å
393	E	96.1	Very high	95.2	Very high	107 Å²	107	53.6 Å²	53.6	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-63.1	-35	176.8	-71.2	174.2	-142.1	0	0	112.6	R332 W336 N389 V390 G395	R332-E393 IonicContact CZ-OE1 2.65Å; R332-E393 VanDerWaalsContact CZ-OE1 3.32Å; R332-E393 IonicContact CZ-OE2 3.02Å; R332-E393 IonicContact NH1-OE1 3.73Å; R332-E393 PolarHBondContact NH1-OE1 3.31Å; R332-E393 IonicContact NH1-OE2 2.76Å; R332-E393 IonicContact NH2-OE1 3.81Å; R332-E393 PolarHBondContact NH2-OE1 3.33Å; R332-E393 IonicContact NH2-OE2 3.34Å; R332-E393 PolarHBondContact NH2-OE2 3.14Å; W336-E393 HydrophobicContact CH2-CB 4.41Å; W336-E393 HydrophobicContact CZ2-CB 3.89Å; N389-E393 WeakPolarHBondContact O-CG 3.27Å; N389-E393 PolarHBondContact O-N 3.49Å; V390-E393 PolarHBondContact O-N 2.69Å; E393-G395 VanDerWaalsContact C-N 3.27Å; E393-G395 PolarHBondContact O-N 2.85Å
394	Q	94.9	Very high	95.1	Very high	44 Å²	44	53.5 Å²	53.5	21%	0.206	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-30	174.6	-165.3	-163.6	33	0	0	112.4	W336 V390 L391 L392 K396	W336-Q394 HydrophobicContact CH2-CB 4.06Å; W336-Q394 HydrophobicContact CH2-CG 4.48Å; W336-Q394 HydrophobicContact CZ3-CB 4.24Å; W336-Q394 HydrophobicContact CZ3-CG 4.21Å; V390-Q394 WeakPolarHBondContact O-CB 3.39Å; V390-Q394 PolarHBondContact O-N 2.92Å; L391-Q394 PolarHBondContact O-N 3.28Å; L392-Q394 VanDerWaalsContact C-N 3.29Å; L392-Q394 PolarHBondContact O-N 3.41Å; Q394-K396 HydrophobicContact CG-CB 4.47Å; Q394-K396 HydrophobicContact CG-CD 4.38Å; Q394-K396 HydrophobicContact CG-CG 4.22Å; Q394-K396 PolarHBondContact O-N 3Å
395	G	91.9	Very high	95.1	Very high	64 Å²	64	51.8 Å²	51.8	66%	0.66	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	8.1	176.5	0	0	0	0	0	115.9	L391 L392 E393	L391-G395 PolarHBondContact O-N 3.32Å; L392-G395 PolarHBondContact O-N 2.85Å; L392-G395 VanDerWaalsContact O-N 3.11Å; E393-G395 VanDerWaalsContact C-N 3.27Å; E393-G395 PolarHBondContact O-N 2.85Å
396	K	90.6	Very high	95.1	Very high	169 Å²	169	45.8 Å²	45.8	74%	0.735	24%	0.238	S	C	*	.			trans	-93.5	-37.2	178.9	-67.4	-173.1	-178.6	-179.3	0	113.4	Q394	Q394-K396 HydrophobicContact CG-CB 4.47Å; Q394-K396 HydrophobicContact CG-CD 4.38Å; Q394-K396 HydrophobicContact CG-CG 4.22Å; Q394-K396 PolarHBondContact O-N 3Å
397	A	88.9	Confident	95.1	Very high	29 Å²	29	45.2 Å²	45.2	24%	0.24	24%	0.235	C	C	.	.			trans	-79.2	124.6	-179.3	0	0	0	0	0	110.1	L391	L391-A397 HydrophobicContact CB-CB 4.17Å; L391-A397 HydrophobicContact CD2-CB 4.35Å
398	K	89.4	Confident	95.1	Very high	172 Å²	172	45.3 Å²	45.3	75%	0.748	24%	0.235	S	C	*	.	S	Bend	trans	-66.5	-43.2	178.9	-171.6	178.9	-179.2	-177.1	0	112.4
399	N	92.9	Very high	95.2	Very high	16 Å²	16	45.2 Å²	45.2	9%	0.086	24%	0.235	C	C	.	.	S	Bend	trans	-133	113.2	175.5	-50.4	-71.9	0	0	0	109.1	G349 H350 L353 W401	G349-N399 VanDerWaalsContact CA-O 3.28Å; G349-N399 WeakPolarHBondContact CA-O 3.25Å; H350-N399 PolarHBondContact N-O 2.92Å; H350-N399 VanDerWaalsContact N-O 3.11Å; H350-N399 WeakPolarHBondContact O-CB 3.48Å; H350-N399 PolarHBondContact O-ND2 3.06Å; L353-N399 WeakPolarHBondContact O-CB 3.46Å; L353-N399 PolarHBondContact O-ND2 3.03Å; N399-W401 VanDerWaalsContact C-N 3.29Å; N399-W401 PolarHBondContact O-N 3.27Å
400	P	95.1	Very high	95.3	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.032	21%	0.213	C	C	.	.			trans	-88.5	16.7	-165.3	39.9	-43.9	0	0	0	114.1	P388 L391 L392	P388-P400 HydrophobicContact CB-CB 4.45Å; P388-P400 HydrophobicContact CB-CG 4.44Å; L391-P400 HydrophobicContact CB-CB 3.56Å; L391-P400 HydrophobicContact CD1-CB 4.03Å; L391-P400 HydrophobicContact CG-CB 4.45Å; L392-P400 HydrophobicContact CD1-CG 4.34Å; L392-P400 HydrophobicContact CD2-CG 3.8Å; L392-P400 HydrophobicContact CG-CB 4.29Å; L392-P400 HydrophobicContact CG-CG 3.79Å
401	W	96.6	Very high	95.4	Very high	78 Å²	78	41.1 Å²	41.1	30%	0.295	21%	0.213	S	C	.	.			trans	-95.7	155.8	-168.7	-53.8	112.1	0	0	0	112.6	G349 R354 K355 P388 N399	G349-W401 PolarHBondContact N-O 3.08Å; R354-W401 PolarHBondContact O-NE1 2.89Å; K355-W401 VanDerWaalsContact C-CD1 3.48Å; P388-W401 HydrophobicContact CB-CE3 3.83Å; P388-W401 HydrophobicContact CB-CH2 4.29Å; P388-W401 HydrophobicContact CB-CZ3 3.6Å; P388-W401 HydrophobicContact CG-CE3 3.91Å; P388-W401 HydrophobicContact CG-CZ3 3.92Å; N399-W401 VanDerWaalsContact C-N 3.29Å; N399-W401 PolarHBondContact O-N 3.27Å
402	P	97.1	Very high	95.5	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.019	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-78.7	157.8	178.1	32.6	-34.9	0	0	0	112.9	G347 Y348 T356 D357 Y360 Y384 A406	G347-P402 CarbonylContact O-C 3.45Å; G347-P402 WeakPolarHBondContact O-CA 3.41Å; Y348-P402 HydrophobicContact CD1-CB 4.08Å; Y348-P402 HydrophobicContact CD2-CB 4.37Å; Y348-P402 HydrophobicContact CE1-CB 3.77Å; Y348-P402 HydrophobicContact CE1-CG 3.94Å; Y348-P402 HydrophobicContact CE2-CB 4.07Å; Y348-P402 HydrophobicContact CG-CB 4.36Å; T356-P402 HydrophobicContact CG2-CG 4.08Å; D357-P402 WeakPolarHBondContact CB-O 3.47Å; D357-P402 PolarHBondContact N-O 3.29Å; Y360-P402 HydrophobicContact CD1-CG 3.87Å; Y360-P402 HydrophobicContact CD2-CB 3.76Å; Y360-P402 HydrophobicContact CD2-CG 3.85Å; Y360-P402 HydrophobicContact CE1-CG 3.85Å; Y360-P402 HydrophobicContact CE2-CB 3.8Å; Y360-P402 HydrophobicContact CE2-CG 3.84Å; Y360-P402 HydrophobicContact CG-CB 4.22Å; Y360-P402 HydrophobicContact CG-CG 3.87Å; Y384-P402 HydrophobicContact CD2-CG 3.74Å; Y384-P402 HydrophobicContact CE2-CG 3.83Å; P402-A406 HydrophobicContact CB-CB 3.79Å
403	N	95.7	Very high	95.7	Very high	33 Å²	33	39.1 Å²	39.1	18%	0.176	20%	0.201	C	C	.	.			trans	-106.1	177.3	171.3	68.5	25.5	0	0	0	112	G347 Y360 D405 A406	G347-N403 PolarHBondContact O-N 3.19Å; Y360-N403 WeakPolarHBondContact CD2-O 3.32Å; N403-D405 PolarHBondContact O-N 2.63Å; N403-D405 WeakPolarHBondContact OD1-CB 3.39Å; N403-D405 PolarHBondContact OD1-N 3.29Å; N403-A406 WeakPolarHBondContact O-CB 3.33Å; N403-A406 PolarHBondContact O-N 2.81Å; N403-A406 VanDerWaalsContact O-N 3.15Å; N403-A406 PolarHBondContact OD1-N 3.48Å
404	V	97.1	Very high	95.8	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-36.6	179.1	72.1	0	0	0	0	114.7	I264 H265 D357 R359 Q363 A406 H407 S408	I264-V404 HydrophobicContact CD1-CG2 4.16Å; H265-V404 WeakPolarHBondContact NE2-CG2 3.35Å; D357-V404 PolarHBondContact OD2-N 3.34Å; R359-V404 HydrophobicContact CB-CB 3.77Å; R359-V404 HydrophobicContact CB-CG2 3.59Å; Q363-V404 PolarHBondContact NE2-O 3.2Å; V404-A406 VanDerWaalsContact C-N 3.27Å; V404-A406 PolarHBondContact O-N 3Å; V404-H407 PolarHBondContact O-N 3.25Å; V404-S408 PolarHBondContact O-N 3.22Å
405	D	96.4	Very high	96	Very high	26 Å²	26	38 Å²	38	14%	0.139	19%	0.191	C	C	.	.	H	α-helix	trans	-73.5	-20.5	-175.1	-57.8	-66.6	0	0	0	112.5	A307 N403 H407	A307-D405 HydrophobicContact CB-CB 3.74Å; N403-D405 PolarHBondContact O-N 2.63Å; N403-D405 WeakPolarHBondContact OD1-CB 3.39Å; N403-D405 PolarHBondContact OD1-N 3.29Å; D405-H407 PolarHBondContact O-N 2.95Å; D405-H407 VanDerWaalsContact O-N 3.15Å
406	A	97.6	Very high	96.3	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-66.6	-9.8	175	0	0	0	0	0	113.7	Y348 Y360 P402 N403 V404	Y348-A406 HydrophobicContact CE2-CB 4.48Å; Y360-A406 HydrophobicContact CD2-CB 3.95Å; Y360-A406 HydrophobicContact CE2-CB 3.85Å; P402-A406 HydrophobicContact CB-CB 3.79Å; N403-A406 WeakPolarHBondContact O-CB 3.33Å; N403-A406 PolarHBondContact O-N 2.81Å; N403-A406 VanDerWaalsContact O-N 3.15Å; N403-A406 PolarHBondContact OD1-N 3.48Å; V404-A406 VanDerWaalsContact C-N 3.27Å; V404-A406 PolarHBondContact O-N 3Å
407	H	98.5	Very high	96.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-130.5	-29.2	-172.1	-151.6	-49.6	0	0	0	114.8	Y360 Q363 R364 F377 V404 D405 G409 V410	Y360-H407 HydrophobicContact CD2-CB 3.66Å; Y360-H407 HydrophobicContact CE2-CB 3.72Å; Y360-H407 AromaticContact CE2-CD2 3.6Å; Y360-H407 AromaticContact CZ-CD2 3.65Å; Q363-H407 HydrophobicContact CB-CB 4.17Å; R364-H407 VanDerWaalsContact CA-NE2 3.3Å; R364-H407 WeakPolarHBondContact CA-NE2 3.17Å; F377-H407 AromaticContact CD2-CE1 3.68Å; F377-H407 AromaticContact CD2-NE2 3.84Å; F377-H407 AromaticContact CE2-CE1 3.77Å; F377-H407 AromaticContact CE2-NE2 3.54Å; V404-H407 PolarHBondContact O-N 3.25Å; D405-H407 PolarHBondContact O-N 2.95Å; D405-H407 VanDerWaalsContact O-N 3.15Å; H407-G409 PolarHBondContact O-N 3.36Å; H407-V410 WeakPolarHBondContact O-CG2 3.4Å; H407-V410 PolarHBondContact O-N 2.95Å
408	S	98	Very high	97.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-39.7	-169.9	47.8	0	0	0	0	113.7	N308 V404 V410 L411 L412	N308-S408 VanDerWaalsContact CG-OG 3.25Å; N308-S408 PolarHBondContact ND2-OG 3.33Å; N308-S408 VanDerWaalsContact ND2-OG 3.1Å; V404-S408 PolarHBondContact O-N 3.22Å; S408-V410 PolarHBondContact O-N 3.35Å; S408-L411 PolarHBondContact O-N 3.11Å; S408-L412 PolarHBondContact O-N 3.06Å
409	G	98.1	Very high	97.5	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-59.4	-42	-178	0	0	0	0	0	114.1	N308 H407 L411 L412 Q413	N308-G409 WeakPolarHBondContact OD1-CA 3.42Å; N308-G409 PolarHBondContact OD1-N 3.05Å; N308-G409 VanDerWaalsContact OD1-N 3.12Å; H407-G409 PolarHBondContact O-N 3.36Å; G409-L411 VanDerWaalsContact C-N 3.3Å; G409-L411 PolarHBondContact O-N 3.45Å; G409-L412 PolarHBondContact O-N 3.34Å; G409-Q413 WeakPolarHBondContact O-CB 3.31Å; G409-Q413 PolarHBondContact O-N 3.06Å
410	V	98.1	Very high	97.8	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-69.3	-29.2	-179.3	-61	0	0	0	0	112.5	L312 L315 M376 V380 H407 S408 Y414	L312-V410 HydrophobicContact CD1-CG1 3.96Å; L315-V410 HydrophobicContact CD1-CG1 3.79Å; M376-V410 HydrophobicContact CB-CB 4.33Å; M376-V410 HydrophobicContact CB-CG1 3.92Å; M376-V410 HydrophobicContact CE-CG1 4.02Å; V380-V410 HydrophobicContact CG2-CG1 3.75Å; V380-V410 HydrophobicContact CG2-CG2 4.03Å; H407-V410 WeakPolarHBondContact O-CG2 3.4Å; H407-V410 PolarHBondContact O-N 2.95Å; S408-V410 PolarHBondContact O-N 3.35Å; V410-Y414 WeakPolarHBondContact O-CB 3.19Å; V410-Y414 PolarHBondContact O-N 2.62Å; V410-Y414 VanDerWaalsContact O-N 3.11Å
411	L	98.8	Very high	97.9	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-68.4	-47.1	174.8	-58.2	-177.6	0	0	0	110.8	L257 Q363 F366 A367 L371 S408 G409 Y414 Y415	L257-L411 HydrophobicContact CD1-CB 3.81Å; L257-L411 HydrophobicContact CD1-CD1 3.6Å; L257-L411 HydrophobicContact CD1-CG 4.3Å; L257-L411 HydrophobicContact CD2-CB 3.76Å; L257-L411 HydrophobicContact CG-CB 4.46Å; Q363-L411 HydrophobicContact CB-CD1 3.74Å; Q363-L411 HydrophobicContact CG-CD1 3.8Å; F366-L411 HydrophobicContact CD1-CD2 4.36Å; A367-L411 HydrophobicContact CB-CD2 3.8Å; L371-L411 HydrophobicContact CD1-CD2 4.13Å; L371-L411 HydrophobicContact CD2-CD2 4.04Å; S408-L411 PolarHBondContact O-N 3.11Å; G409-L411 VanDerWaalsContact C-N 3.3Å; G409-L411 PolarHBondContact O-N 3.45Å; L411-Y414 PolarHBondContact O-N 2.97Å; L411-Y415 VanDerWaalsContact O-CD2 3.31Å; L411-Y415 WeakPolarHBondContact O-CD2 3.48Å
412	L	98.8	Very high	98	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-47.4	178	-64.4	175	0	0	0	110.9	F254 L257 Y261 S408 G409 Y414 Y415 G416 M417 Y423 L426	F254-L412 HydrophobicContact CE2-CD2 4.29Å; L257-L412 HydrophobicContact CD2-CD2 4.31Å; Y261-L412 HydrophobicContact CE2-CD1 4.33Å; S408-L412 PolarHBondContact O-N 3.06Å; G409-L412 PolarHBondContact O-N 3.34Å; L412-Y414 VanDerWaalsContact C-N 3.31Å; L412-Y414 PolarHBondContact O-N 3.24Å; L412-Y415 PolarHBondContact O-N 3.48Å; L412-G416 PolarHBondContact O-N 3.29Å; L412-M417 CarbonylContact C-O 3.52Å; L412-M417 HydrophobicContact CB-CB 4.17Å; L412-M417 HydrophobicContact CB-CG 4.16Å; L412-M417 HydrophobicContact CD2-CG 4.35Å; L412-M417 WeakPolarHBondContact O-CB 3.35Å; L412-M417 PolarHBondContact O-N 3.07Å; L412-M417 VanDerWaalsContact O-N 3.07Å; L412-Y423 HydrophobicContact CB-CE1 4.13Å; L412-Y423 HydrophobicContact CD1-CD1 3.82Å; L412-Y423 HydrophobicContact CD1-CD2 4.06Å; L412-Y423 HydrophobicContact CD1-CE1 3.91Å; L412-Y423 HydrophobicContact CD1-CE2 4.13Å; L412-Y423 HydrophobicContact CD1-CG 3.89Å; L412-L426 HydrophobicContact CD1-CD1 3.92Å; L412-L426 HydrophobicContact CD2-CD1 3.91Å
413	Q	98.4	Very high	98.1	Very high	61 Å²	61	26.9 Å²	26.9	29%	0.285	14%	0.143	S	C	.	.	H	α-helix	trans	-58.1	-42.6	179.7	-173.6	178.6	-67.8	0	0	112.1	L312 G409 Y415 G416 T418	L312-Q413 HydrophobicContact CD2-CB 4.36Å; G409-Q413 WeakPolarHBondContact O-CB 3.31Å; G409-Q413 PolarHBondContact O-N 3.06Å; Q413-Y415 VanDerWaalsContact C-N 3.31Å; Q413-Y415 PolarHBondContact O-N 3.06Å; Q413-G416 PolarHBondContact O-N 3.48Å; Q413-T418 HydrophobicContact CG-CG2 4.12Å
414	Y	98.6	Very high	98.2	Very high	103 Å²	103	25.4 Å²	25.4	40%	0.404	14%	0.135	S	C	.	.	H	α-helix	trans	-57.3	-41.6	-179.2	175.3	-97.2	0	0	0	113	L371 D374 V410 L411 L412 G416	L371-Y414 HydrophobicContact CB-CD1 3.9Å; L371-Y414 HydrophobicContact CB-CD2 3.85Å; L371-Y414 HydrophobicContact CB-CE1 3.68Å; L371-Y414 HydrophobicContact CB-CE2 3.62Å; L371-Y414 HydrophobicContact CB-CG 3.98Å; L371-Y414 HydrophobicContact CD1-CD1 4.15Å; L371-Y414 HydrophobicContact CD1-CD2 4.02Å; L371-Y414 HydrophobicContact CD1-CG 3.74Å; L371-Y414 HydrophobicContact CD2-CD1 4.16Å; L371-Y414 HydrophobicContact CD2-CE1 4.42Å; L371-Y414 HydrophobicContact CG-CD1 4.3Å; L371-Y414 HydrophobicContact CG-CG 4.31Å; D374-Y414 HydrophobicContact CB-CD2 3.79Å; D374-Y414 HydrophobicContact CB-CE2 4.08Å; V410-Y414 WeakPolarHBondContact O-CB 3.19Å; V410-Y414 PolarHBondContact O-N 2.62Å; V410-Y414 VanDerWaalsContact O-N 3.11Å; L411-Y414 PolarHBondContact O-N 2.97Å; L412-Y414 VanDerWaalsContact C-N 3.31Å; L412-Y414 PolarHBondContact O-N 3.24Å; Y414-G416 VanDerWaalsContact C-N 3.25Å; Y414-G416 PolarHBondContact O-N 3.47Å
415	Y	98.8	Very high	98.3	Very high	25 Å²	25	25.3 Å²	25.3	10%	0.098	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	4.7	179.6	-70.4	-73.3	0	0	0	114.1	Y249 Q253 F254 L257 F366 L371 L411 L412 Q413	Y249-Y415 VanDerWaalsContact CE1-O 3.25Å; Y249-Y415 WeakPolarHBondContact CE1-O 3.35Å; Q253-Y415 HydrophobicContact CB-CE1 3.72Å; Q253-Y415 WeakPolarHBondContact CB-OH 3.27Å; F254-Y415 HydrophobicContact CB-CD1 3.92Å; F254-Y415 HydrophobicContact CB-CD2 4.49Å; F254-Y415 HydrophobicContact CB-CG 3.91Å; F254-Y415 HydrophobicContact CD2-CD1 4.49Å; F254-Y415 AromaticContact CD2-CD2 3.85Å; F254-Y415 HydrophobicContact CD2-CD2 3.85Å; F254-Y415 AromaticContact CD2-CG 3.63Å; F254-Y415 HydrophobicContact CD2-CG 3.63Å; F254-Y415 HydrophobicContact CG-CG 4.2Å; L257-Y415 HydrophobicContact CB-CE2 4.4Å; L257-Y415 HydrophobicContact CD2-CD2 3.59Å; L257-Y415 HydrophobicContact CD2-CE2 3.89Å; F366-Y415 AromaticContact CE1-CE2 3.97Å; F366-Y415 HydrophobicContact CE1-CE2 3.97Å; F366-Y415 HydrophobicContact CZ-CE2 4.47Å; L371-Y415 HydrophobicContact CD2-CE2 4.37Å; L411-Y415 VanDerWaalsContact O-CD2 3.31Å; L411-Y415 WeakPolarHBondContact O-CD2 3.48Å; L412-Y415 PolarHBondContact O-N 3.48Å; Q413-Y415 VanDerWaalsContact C-N 3.31Å; Q413-Y415 PolarHBondContact O-N 3.06Å
416	G	98.4	Very high	98.4	Very high	33 Å²	33	24.1 Å²	24.1	34%	0.34	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	0.3	176.7	0	0	0	0	0	115.3	Y249 L412 Q413 Y414 T418	Y249-G416 VanDerWaalsContact OH-C 3.3Å; Y249-G416 PolarHBondContact OH-O 2.82Å; L412-G416 PolarHBondContact O-N 3.29Å; Q413-G416 PolarHBondContact O-N 3.48Å; Y414-G416 VanDerWaalsContact C-N 3.25Å; Y414-G416 PolarHBondContact O-N 3.47Å; G416-T418 VanDerWaalsContact C-N 3.34Å; G416-T418 PolarHBondContact O-N 3.48Å
417	M	98.6	Very high	98.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.			trans	-80.9	82.3	171.9	178.7	65.2	71.3	0	0	108.6	Y220 L247 Y249 F254 L412 Y422 Y423 L426	Y220-M417 HydrophobicContact CD2-CE 4.29Å; Y220-M417 HydrophobicContact CD2-SD 4.1Å; Y220-M417 HydrophobicContact CE1-CE 4.22Å; Y220-M417 HydrophobicContact CE2-CE 3.74Å; Y220-M417 HydrophobicContact CE2-SD 3.25Å; Y220-M417 WeakPolarHBondContact CE2-SD 3.37Å; Y220-M417 VanDerWaalsContact CZ-SD 3.57Å; Y220-M417 PolarHBondContact OH-SD 3.34Å; L247-M417 HydrophobicContact CD1-CE 4.14Å; L247-M417 HydrophobicContact CD2-CE 4.42Å; Y249-M417 HydrophobicContact CD2-CE 4.44Å; Y249-M417 HydrophobicContact CE2-CE 3.58Å; Y249-M417 VanDerWaalsContact OH-CA 3.24Å; Y249-M417 WeakPolarHBondContact OH-CA 3.45Å; Y249-M417 PolarHBondContact OH-N 3.42Å; F254-M417 HydrophobicContact CE2-CB 4.19Å; F254-M417 HydrophobicContact CZ-CB 4.11Å; F254-M417 HydrophobicContact CZ-CE 4.03Å; L412-M417 CarbonylContact C-O 3.52Å; L412-M417 HydrophobicContact CB-CB 4.17Å; L412-M417 HydrophobicContact CB-CG 4.16Å; L412-M417 HydrophobicContact CD2-CG 4.35Å; L412-M417 WeakPolarHBondContact O-CB 3.35Å; L412-M417 PolarHBondContact O-N 3.07Å; L412-M417 VanDerWaalsContact O-N 3.07Å; M417-Y422 HydrophobicContact SD-CD1 4.04Å; M417-Y423 HydrophobicContact CG-CD1 4.49Å; M417-Y423 HydrophobicContact CG-CE1 3.93Å; M417-Y423 VanDerWaalsContact O-CE1 3.31Å; M417-Y423 WeakPolarHBondContact O-CE1 3.28Å; M417-Y423 PolarHBondContact O-OH 3.16Å; M417-L426 HydrophobicContact CG-CD1 4.41Å
418	T	98.4	Very high	98.5	Very high	77 Å²	77	24.8 Å²	24.8	47%	0.472	13%	0.13	S	C	.	.			trans	-103	-7.1	-170.1	60.4	0	0	0	0	113.7	Q413 G416 M420	Q413-T418 HydrophobicContact CG-CG2 4.12Å; G416-T418 VanDerWaalsContact C-N 3.34Å; G416-T418 PolarHBondContact O-N 3.48Å; T418-M420 PolarHBondContact O-N 2.88Å
419	E	98.4	Very high	98.6	Very high	35 Å²	35	24.7 Å²	24.7	16%	0.164	13%	0.129	C	C	.	.			trans	-81.2	78.3	-173.6	-55.7	89.6	166.8	0	0	111.3	Y220 Y224 R225 N421 Y422	Y220-E419 HydrophobicContact CE2-CB 4.47Å; Y220-E419 WeakPolarHBondContact CE2-OE2 3.41Å; Y220-E419 PolarHBondContact OH-OE1 2.97Å; Y220-E419 VanDerWaalsContact OH-OE1 3.13Å; Y220-E419 PolarHBondContact OH-OE2 3.49Å; Y224-E419 HydrophobicContact CD1-CB 4.12Å; Y224-E419 HydrophobicContact CD1-CG 3.66Å; Y224-E419 HydrophobicContact CD2-CB 4.09Å; Y224-E419 HydrophobicContact CD2-CG 4.03Å; Y224-E419 HydrophobicContact CE1-CB 3.93Å; Y224-E419 HydrophobicContact CE1-CG 3.99Å; Y224-E419 HydrophobicContact CE2-CB 3.92Å; Y224-E419 HydrophobicContact CE2-CG 4.34Å; Y224-E419 HydrophobicContact CG-CB 4.18Å; Y224-E419 HydrophobicContact CG-CG 3.67Å; R225-E419 IonicContact CZ-OE1 3.48Å; R225-E419 IonicContact NH1-OE1 2.61Å; R225-E419 PolarHBondContact NH1-OE1 3.22Å; R225-E419 IonicContact NH2-OE1 2.85Å; R225-E419 PolarHBondContact NH2-OE1 3.01Å; E419-N421 PolarHBondContact O-N 3.27Å; E419-Y422 WeakPolarHBondContact O-CA 3.39Å; E419-Y422 WeakPolarHBondContact O-CB 3.24Å; E419-Y422 PolarHBondContact O-N 3.1Å
420	M	97.6	Very high	98.6	Very high	62 Å²	62	24.6 Å²	24.6	31%	0.305	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-50.3	-34.5	-171.4	-68.7	-173.1	-73.9	0	0	115.5	Q309 L312 V313 T418 Y422 Y423	Q309-M420 HydrophobicContact CB-CB 4.46Å; Q309-M420 HydrophobicContact CG-CB 3.9Å; Q309-M420 WeakPolarHBondContact CG-O 3.5Å; Q309-M420 PolarHBondContact NE2-O 3.31Å; L312-M420 HydrophobicContact CB-SD 4.08Å; L312-M420 HydrophobicContact CD2-CG 3.97Å; L312-M420 HydrophobicContact CD2-SD 3.9Å; L312-M420 HydrophobicContact CG-SD 4.1Å; V313-M420 HydrophobicContact CG2-CE 3.8Å; V313-M420 HydrophobicContact CG2-SD 3.8Å; T418-M420 PolarHBondContact O-N 2.88Å; M420-Y422 PolarHBondContact O-N 3.16Å; M420-Y422 VanDerWaalsContact O-N 3.11Å; M420-Y423 HydrophobicContact CB-CE2 4.47Å; M420-Y423 HydrophobicContact CG-CE2 3.98Å; M420-Y423 PolarHBondContact O-N 3.31Å; M420-Y423 VanDerWaalsContact O-N 3.12Å
421	N	97.6	Very high	98.6	Very high	94 Å²	94	24.8 Å²	24.8	50%	0.503	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-59.7	-23.3	176.1	-74.4	-3.2	0	0	0	112.6	P167 E419	P167-N421 HydrophobicContact CG-CB 4.09Å; P167-N421 WeakPolarHBondContact CG-O 3.39Å; E419-N421 PolarHBondContact O-N 3.27Å
422	Y	98.8	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-85	-16.8	179.9	-169.6	-100.9	0	0	0	113.8	P167 A216 I219 Y220 Y224 L247 M417 E419 M420 T424 V425 L426	P167-Y422 HydrophobicContact CB-CD2 4.09Å; A216-Y422 WeakPolarHBondContact CB-OH 3.46Å; A216-Y422 PolarHBondContact O-OH 3.22Å; I219-Y422 HydrophobicContact CB-CE2 4.43Å; I219-Y422 HydrophobicContact CG2-CD2 4.46Å; I219-Y422 HydrophobicContact CG2-CE2 4.15Å; Y220-Y422 AromaticContact CD2-CD1 3.51Å; Y220-Y422 HydrophobicContact CD2-CD1 3.51Å; Y220-Y422 AromaticContact CD2-CD2 3.89Å; Y220-Y422 HydrophobicContact CD2-CD2 3.89Å; Y220-Y422 AromaticContact CD2-CE1 3.61Å; Y220-Y422 HydrophobicContact CD2-CE1 3.61Å; Y220-Y422 AromaticContact CD2-CE2 3.97Å; Y220-Y422 HydrophobicContact CD2-CE2 3.97Å; Y220-Y422 AromaticContact CD2-CG 3.67Å; Y220-Y422 HydrophobicContact CD2-CG 3.67Å; Y220-Y422 AromaticContact CD2-CZ 3.84Å; Y220-Y422 HydrophobicContact CE2-CD1 4.01Å; Y220-Y422 HydrophobicContact CE2-CE1 4.39Å; Y220-Y422 HydrophobicContact CE2-CG 4.28Å; Y220-Y422 HydrophobicContact CG-CE1 4.2Å; Y220-Y422 HydrophobicContact CG-CE2 4.33Å; Y224-Y422 HydrophobicContact CE2-CD2 4.03Å; Y224-Y422 HydrophobicContact CE2-CG 4.16Å; L247-Y422 HydrophobicContact CD2-CE1 4.19Å; M417-Y422 HydrophobicContact SD-CD1 4.04Å; E419-Y422 WeakPolarHBondContact O-CA 3.39Å; E419-Y422 WeakPolarHBondContact O-CB 3.24Å; E419-Y422 PolarHBondContact O-N 3.1Å; M420-Y422 PolarHBondContact O-N 3.16Å; M420-Y422 VanDerWaalsContact O-N 3.11Å; Y422-T424 PolarHBondContact O-N 3.1Å; Y422-T424 VanDerWaalsContact O-N 3.17Å; Y422-V425 HydrophobicContact CD2-CB 4.05Å; Y422-V425 HydrophobicContact CD2-CG2 3.98Å; Y422-V425 HydrophobicContact CE1-CB 4.44Å; Y422-V425 HydrophobicContact CE2-CB 3.86Å; Y422-V425 HydrophobicContact CE2-CG1 3.83Å; Y422-V425 HydrophobicContact CE2-CG2 4.05Å; Y422-V425 HydrophobicContact CG-CB 4.43Å; Y422-V425 WeakPolarHBondContact O-CA 3.25Å; Y422-V425 VanDerWaalsContact O-CB 3.28Å; Y422-V425 WeakPolarHBondContact O-CB 3.47Å; Y422-V425 PolarHBondContact O-N 3.16Å; Y422-L426 HydrophobicContact CD1-CD2 4.44Å; Y422-L426 HydrophobicContact CD1-CG 4.18Å; Y422-L426 HydrophobicContact CE1-CD2 3.77Å; Y422-L426 HydrophobicContact CE1-CG 3.98Å; Y422-L426 PolarHBondContact O-N 3.37Å
423	Y	98.8	Very high	98.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-60.4	-34.1	-173.8	-67.9	-0.2	0	0	0	113	N308 Q309 L312 L412 M417 M420 V425 L426 F427	N308-Y423 WeakPolarHBondContact OD1-CD2 3.29Å; Q309-Y423 HydrophobicContact CG-CD2 4.24Å; L312-Y423 HydrophobicContact CD2-CE2 3.72Å; L412-Y423 HydrophobicContact CB-CE1 4.13Å; L412-Y423 HydrophobicContact CD1-CD1 3.82Å; L412-Y423 HydrophobicContact CD1-CD2 4.06Å; L412-Y423 HydrophobicContact CD1-CE1 3.91Å; L412-Y423 HydrophobicContact CD1-CE2 4.13Å; L412-Y423 HydrophobicContact CD1-CG 3.89Å; M417-Y423 HydrophobicContact CG-CD1 4.49Å; M417-Y423 HydrophobicContact CG-CE1 3.93Å; M417-Y423 VanDerWaalsContact O-CE1 3.31Å; M417-Y423 WeakPolarHBondContact O-CE1 3.28Å; M417-Y423 PolarHBondContact O-OH 3.16Å; M420-Y423 HydrophobicContact CB-CE2 4.47Å; M420-Y423 HydrophobicContact CG-CE2 3.98Å; M420-Y423 PolarHBondContact O-N 3.31Å; M420-Y423 VanDerWaalsContact O-N 3.12Å; Y423-V425 PolarHBondContact O-N 3.28Å; Y423-L426 WeakPolarHBondContact O-CB 3.48Å; Y423-L426 PolarHBondContact O-N 3.04Å; Y423-F427 PolarHBondContact O-N 3.29Å
424	T	98.7	Very high	98.7	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-67	-24.6	175.3	-45.5	0	0	0	0	112.4	M168 L299 G305 Q309 Y422 F427 G428	M168-T424 HydrophobicContact CE-CG2 3.95Å; M168-T424 HydrophobicContact CG-CG2 3.88Å; M168-T424 HydrophobicContact SD-CG2 3.71Å; L299-T424 HydrophobicContact CD2-CG2 4.21Å; L299-T424 HydrophobicContact CG-CG2 3.82Å; G305-T424 PolarHBondContact O-OG1 3.49Å; Q309-T424 PolarHBondContact NE2-OG1 3.29Å; Y422-T424 PolarHBondContact O-N 3.1Å; Y422-T424 VanDerWaalsContact O-N 3.17Å; T424-F427 WeakPolarHBondContact O-CB 3.46Å; T424-F427 PolarHBondContact O-N 2.89Å; T424-G428 PolarHBondContact O-N 3.25Å
425	V	98.9	Very high	98.7	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.5	-44.3	172.1	179.3	0	0	0	0	110.3	P167 M168 F171 A216 Y422 Y423 F427 G428 V429	P167-V425 HydrophobicContact CB-CG2 3.9Å; M168-V425 HydrophobicContact CG-CG2 4.34Å; M168-V425 HydrophobicContact SD-CB 4.44Å; M168-V425 HydrophobicContact SD-CG2 3.84Å; F171-V425 HydrophobicContact CD1-CG1 4.31Å; F171-V425 HydrophobicContact CD2-CG1 4.17Å; F171-V425 HydrophobicContact CE1-CG1 4.42Å; F171-V425 HydrophobicContact CE2-CG1 4.3Å; F171-V425 HydrophobicContact CG-CG1 4.17Å; F171-V425 HydrophobicContact CZ-CG1 4.39Å; A216-V425 HydrophobicContact CB-CG1 3.73Å; Y422-V425 HydrophobicContact CD2-CB 4.05Å; Y422-V425 HydrophobicContact CD2-CG2 3.98Å; Y422-V425 HydrophobicContact CE1-CB 4.44Å; Y422-V425 HydrophobicContact CE2-CB 3.86Å; Y422-V425 HydrophobicContact CE2-CG1 3.83Å; Y422-V425 HydrophobicContact CE2-CG2 4.05Å; Y422-V425 HydrophobicContact CG-CB 4.43Å; Y422-V425 WeakPolarHBondContact O-CA 3.25Å; Y422-V425 VanDerWaalsContact O-CB 3.28Å; Y422-V425 WeakPolarHBondContact O-CB 3.47Å; Y422-V425 PolarHBondContact O-N 3.16Å; Y423-V425 PolarHBondContact O-N 3.28Å; V425-F427 VanDerWaalsContact C-N 3.27Å; V425-F427 PolarHBondContact O-N 3.12Å; V425-G428 WeakPolarHBondContact O-CA 3.31Å; V425-G428 PolarHBondContact O-N 3.35Å; V425-G428 VanDerWaalsContact O-N 3.08Å; V425-V429 WeakPolarHBondContact O-CG2 3.13Å; V425-V429 PolarHBondContact O-N 3.01Å
426	L	98.9	Very high	98.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.5	-42.4	173.7	-60.4	177	0	0	0	111	F243 M258 Y261 L412 M417 Y422 Y423 V429 S430	F243-L426 HydrophobicContact CE1-CD2 3.64Å; F243-L426 HydrophobicContact CZ-CD2 3.72Å; M258-L426 HydrophobicContact CE-CD1 4.44Å; M258-L426 HydrophobicContact CE-CD2 3.95Å; M258-L426 HydrophobicContact SD-CD2 4.33Å; Y261-L426 HydrophobicContact CD1-CB 4.44Å; Y261-L426 HydrophobicContact CE1-CB 3.62Å; L412-L426 HydrophobicContact CD1-CD1 3.92Å; L412-L426 HydrophobicContact CD2-CD1 3.91Å; M417-L426 HydrophobicContact CG-CD1 4.41Å; Y422-L426 HydrophobicContact CD1-CD2 4.44Å; Y422-L426 HydrophobicContact CD1-CG 4.18Å; Y422-L426 HydrophobicContact CE1-CD2 3.77Å; Y422-L426 HydrophobicContact CE1-CG 3.98Å; Y422-L426 PolarHBondContact O-N 3.37Å; Y423-L426 WeakPolarHBondContact O-CB 3.48Å; Y423-L426 PolarHBondContact O-N 3.04Å; L426-V429 PolarHBondContact O-N 3.4Å; L426-S430 PolarHBondContact O-N 2.82Å
427	F	98.9	Very high	98.7	Very high	19 Å²	19	14.3 Å²	14.3	8%	0.083	8%	0.076	C	C	.	.	H	α-helix	trans	-61.1	-45.2	174.1	-169.9	179.5	0	0	0	111.1	H265 L299 Y423 T424 V425 V429 S430 R431	H265-F427 HydrophobicContact CB-CD2 3.98Å; H265-F427 HydrophobicContact CB-CE2 4.13Å; L299-F427 HydrophobicContact CD1-CD1 3.95Å; L299-F427 HydrophobicContact CD1-CE1 3.87Å; L299-F427 HydrophobicContact CD1-CG 4.44Å; L299-F427 HydrophobicContact CD1-CZ 4.26Å; L299-F427 HydrophobicContact CD2-CB 4.47Å; L299-F427 HydrophobicContact CD2-CG 4.31Å; Y423-F427 PolarHBondContact O-N 3.29Å; T424-F427 WeakPolarHBondContact O-CB 3.46Å; T424-F427 PolarHBondContact O-N 2.89Å; V425-F427 VanDerWaalsContact C-N 3.27Å; V425-F427 PolarHBondContact O-N 3.12Å; F427-V429 PolarHBondContact O-N 2.93Å; F427-S430 PolarHBondContact O-N 3.24Å; F427-R431 HydrophobicContact CD2-CB 4.28Å; F427-R431 HydrophobicContact CE2-CB 4.29Å; F427-R431 VanDerWaalsContact CE2-CZ 3.48Å; F427-R431 VanDerWaalsContact O-CB 3.29Å; F427-R431 WeakPolarHBondContact O-CB 3.29Å; F427-R431 PolarHBondContact O-N 3.41Å
428	G	98.9	Very high	98.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-54.7	-52.1	174.4	0	0	0	0	0	112.8	F292 M296 T424 V425 S430 R431 A432	F292-G428 WeakPolarHBondContact CZ-O 3.32Å; M296-G428 WeakPolarHBondContact SD-CA 3.19Å; T424-G428 PolarHBondContact O-N 3.25Å; V425-G428 WeakPolarHBondContact O-CA 3.31Å; V425-G428 PolarHBondContact O-N 3.35Å; V425-G428 VanDerWaalsContact O-N 3.08Å; G428-S430 VanDerWaalsContact C-N 3.3Å; G428-S430 PolarHBondContact O-N 2.96Å; G428-R431 PolarHBondContact O-N 3.02Å; G428-R431 VanDerWaalsContact O-N 3.15Å; G428-A432 PolarHBondContact O-N 3.02Å
429	V	98.9	Very high	98.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-55.2	-45.1	178	174.6	0	0	0	0	111.3	F171 L212 A216 W239 F243 L262 V425 L426 F427 A432	F171-V429 HydrophobicContact CE2-CG2 4.31Å; F171-V429 HydrophobicContact CZ-CG2 3.75Å; L212-V429 HydrophobicContact CB-CG2 4.46Å; A216-V429 HydrophobicContact CB-CG2 3.73Å; W239-V429 HydrophobicContact CH2-CG1 3.41Å; W239-V429 VanDerWaalsContact CH2-CG1 3.41Å; W239-V429 HydrophobicContact CZ2-CG1 3.75Å; W239-V429 HydrophobicContact CZ3-CG1 4.33Å; F243-V429 HydrophobicContact CE1-CG1 4.27Å; F243-V429 HydrophobicContact CZ-CG2 4.39Å; L262-V429 HydrophobicContact CD2-CB 4.3Å; L262-V429 HydrophobicContact CD2-CG1 3.92Å; V425-V429 WeakPolarHBondContact O-CG2 3.13Å; V425-V429 PolarHBondContact O-N 3.01Å; L426-V429 PolarHBondContact O-N 3.4Å; F427-V429 PolarHBondContact O-N 2.93Å; V429-A432 WeakPolarHBondContact O-CB 3.41Å
430	S	98.9	Very high	98.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.6	-50.8	174.9	179.5	0	0	0	0	112.3	L262 H265 S266 L426 F427 G428 A432 L433	L262-S430 WeakPolarHBondContact CA-OG 3.46Å; L262-S430 PolarHBondContact O-OG 3.49Å; H265-S430 WeakPolarHBondContact CA-OG 3.48Å; H265-S430 VanDerWaalsContact CB-OG 3.26Å; H265-S430 WeakPolarHBondContact CB-OG 3.32Å; S266-S430 WeakPolarHBondContact CA-O 3.49Å; S266-S430 WeakPolarHBondContact CA-OG 3.44Å; S266-S430 PolarHBondContact N-OG 2.85Å; L426-S430 PolarHBondContact O-N 2.82Å; F427-S430 PolarHBondContact O-N 3.24Å; G428-S430 VanDerWaalsContact C-N 3.3Å; G428-S430 PolarHBondContact O-N 2.96Å; S430-A432 PolarHBondContact O-N 3.49Å; S430-A432 VanDerWaalsContact O-N 3.11Å; S430-L433 WeakPolarHBondContact O-CB 3.21Å; S430-L433 WeakPolarHBondContact O-CG 3.41Å; S430-L433 PolarHBondContact O-N 2.88Å
431	R	98.9	Very high	98.8	Very high	6 Å²	6	6.9 Å²	6.9	2%	0.023	4%	0.035	C	C	.	.	H	α-helix	trans	-61.7	-24.1	-174.4	-177.6	53.2	60	85.8	-7.1	113.1	H265 S266 N272 S274 F427 G428 L433 G434 V435	H265-R431 PolarHBondContact O-NE 3.23Å; S266-R431 WeakPolarHBondContact O-CA 3.44Å; N272-R431 PolarHBondContact OD1-NH1 3.35Å; S274-R431 PolarHBondContact OG-NH1 2.86Å; S274-R431 VanDerWaalsContact OG-NH1 3.09Å; F427-R431 HydrophobicContact CD2-CB 4.28Å; F427-R431 HydrophobicContact CE2-CB 4.29Å; F427-R431 VanDerWaalsContact CE2-CZ 3.48Å; F427-R431 VanDerWaalsContact O-CB 3.29Å; F427-R431 WeakPolarHBondContact O-CB 3.29Å; F427-R431 PolarHBondContact O-N 3.41Å; G428-R431 PolarHBondContact O-N 3.02Å; G428-R431 VanDerWaalsContact O-N 3.15Å; R431-L433 PolarHBondContact O-N 2.89Å; R431-G434 PolarHBondContact O-N 3.12Å; R431-V435 HydrophobicContact CG-CG1 3.92Å; R431-V435 WeakPolarHBondContact O-CG2 3.28Å; R431-V435 PolarHBondContact O-N 3.14Å
432	A	98.9	Very high	98.9	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-51.4	-40.6	173	0	0	0	0	0	112.3	L212 F292 G428 V429 S430 G434 L436	L212-A432 HydrophobicContact CD1-CB 3.24Å; F292-A432 HydrophobicContact CD2-CB 4.41Å; F292-A432 HydrophobicContact CE1-CB 4.29Å; F292-A432 VanDerWaalsContact CE2-CA 3.45Å; F292-A432 HydrophobicContact CE2-CB 3.63Å; F292-A432 HydrophobicContact CZ-CB 3.57Å; G428-A432 PolarHBondContact O-N 3.02Å; V429-A432 WeakPolarHBondContact O-CB 3.41Å; S430-A432 PolarHBondContact O-N 3.49Å; S430-A432 VanDerWaalsContact O-N 3.11Å; A432-G434 PolarHBondContact O-N 2.88Å; A432-L436 HydrophobicContact CB-CD1 4.08Å; A432-L436 WeakPolarHBondContact O-CB 3.46Å; A432-L436 WeakPolarHBondContact O-CG 3.38Å; A432-L436 PolarHBondContact O-N 2.63Å
433	L	98.9	Very high	98.9	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-59.1	-46.2	-176.4	-56.8	-179.8	0	0	0	111.7	P119 L122 F123 W144 I209 W239 S430 R431 A437	P119-L433 HydrophobicContact CB-CD1 3.76Å; L122-L433 HydrophobicContact CD1-CB 4.39Å; L122-L433 HydrophobicContact CD1-CD1 4.35Å; F123-L433 HydrophobicContact CB-CD2 4.33Å; F123-L433 HydrophobicContact CD2-CB 4.25Å; F123-L433 HydrophobicContact CD2-CD2 4.21Å; F123-L433 WeakPolarHBondContact CD2-O 3.45Å; W144-L433 HydrophobicContact CH2-CD2 3.79Å; W144-L433 HydrophobicContact CZ2-CD2 4.39Å; W144-L433 HydrophobicContact CZ3-CD2 4.48Å; I209-L433 HydrophobicContact CD1-CD2 4.1Å; I209-L433 HydrophobicContact CG1-CD2 4.31Å; I209-L433 HydrophobicContact CG2-CD2 3.76Å; W239-L433 HydrophobicContact CH2-CD2 4.27Å; W239-L433 HydrophobicContact CZ3-CD1 4.28Å; W239-L433 HydrophobicContact CZ3-CD2 4.39Å; S430-L433 WeakPolarHBondContact O-CB 3.21Å; S430-L433 WeakPolarHBondContact O-CG 3.41Å; S430-L433 PolarHBondContact O-N 2.88Å; R431-L433 PolarHBondContact O-N 2.89Å; L433-A437 WeakPolarHBondContact O-CB 3.27Å; L433-A437 PolarHBondContact O-N 2.85Å
434	G	98.9	Very high	98.9	Very high	0 Å²	0	3 Å²	3	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-71.1	-53.4	179.2	0	0	0	0	0	113.5	S266 R431 A432 L436 A437 Q438	S266-G434 WeakPolarHBondContact O-CA 3.39Å; S266-G434 PolarHBondContact O-N 3.12Å; S266-G434 VanDerWaalsContact O-N 3.08Å; R431-G434 PolarHBondContact O-N 3.12Å; A432-G434 PolarHBondContact O-N 2.88Å; G434-L436 VanDerWaalsContact C-N 3.32Å; G434-L436 PolarHBondContact O-N 3.11Å; G434-A437 PolarHBondContact O-N 3.49Å; G434-Q438 PolarHBondContact O-N 3.15Å
435	V	98.9	Very high	98.9	Very high	3 Å²	3	4.2 Å²	4.2	2%	0.018	2%	0.02	C	C	.	.	H	α-helix	trans	-67.7	-34.1	-172.8	-55.4	0	0	0	0	112	A275 F292 R431 L439	A275-V435 HydrophobicContact CB-CG1 3.92Å; F292-V435 HydrophobicContact CD2-CG2 3.68Å; F292-V435 HydrophobicContact CE2-CG2 3.94Å; R431-V435 HydrophobicContact CG-CG1 3.92Å; R431-V435 WeakPolarHBondContact O-CG2 3.28Å; R431-V435 PolarHBondContact O-N 3.14Å; V435-L439 WeakPolarHBondContact O-CB 3.33Å; V435-L439 PolarHBondContact O-N 2.89Å
436	L	98.9	Very high	98.9	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-76.6	-37.1	177.4	-62.2	176.4	0	0	0	111.8	L208 I209 P288 F292 A432 G434 Q438 L439 V440	L208-L436 HydrophobicContact CB-CD1 4.38Å; L208-L436 HydrophobicContact CD2-CD1 3.91Å; L208-L436 HydrophobicContact CD2-CD2 4.22Å; L208-L436 HydrophobicContact CG-CD1 4.16Å; I209-L436 HydrophobicContact CD1-CB 4.4Å; I209-L436 HydrophobicContact CD1-CD1 4.04Å; I209-L436 HydrophobicContact CG1-CD1 3.6Å; P288-L436 HydrophobicContact CB-CD2 3.96Å; F292-L436 HydrophobicContact CB-CD2 4.39Å; A432-L436 HydrophobicContact CB-CD1 4.08Å; A432-L436 WeakPolarHBondContact O-CB 3.46Å; A432-L436 WeakPolarHBondContact O-CG 3.38Å; A432-L436 PolarHBondContact O-N 2.63Å; G434-L436 VanDerWaalsContact C-N 3.32Å; G434-L436 PolarHBondContact O-N 3.11Å; L436-Q438 VanDerWaalsContact C-N 3.31Å; L436-Q438 PolarHBondContact O-N 3.13Å; L436-L439 HydrophobicContact CD2-CD2 4.26Å; L436-L439 PolarHBondContact O-N 3.47Å; L436-L439 VanDerWaalsContact O-N 3.14Å; L436-V440 WeakPolarHBondContact O-CG2 3.48Å; L436-V440 PolarHBondContact O-N 3.48Å
437	A	98.9	Very high	98.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-58.3	-44.9	170.1	0	0	0	0	0	111.1	T85 F123 L126 V127 L433 G434 W441	T85-A437 HydrophobicContact CG2-CB 3.95Å; F123-A437 HydrophobicContact CD2-CB 4.39Å; F123-A437 HydrophobicContact CE2-CB 4.03Å; L126-A437 HydrophobicContact CB-CB 3.87Å; V127-A437 HydrophobicContact CG2-CB 3.64Å; L433-A437 WeakPolarHBondContact O-CB 3.27Å; L433-A437 PolarHBondContact O-N 2.85Å; G434-A437 PolarHBondContact O-N 3.49Å; A437-W441 PolarHBondContact O-N 3.27Å
438	Q	98.9	Very high	98.9	Very high	2 Å²	2	11 Å²	11	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-65.7	-37.5	174.2	177.5	62.3	39.5	0	0	112.3	Y83 T85 G434 L436 V440 W441 S442	Y83-Q438 HydrophobicContact CD2-CB 4.24Å; Y83-Q438 HydrophobicContact CD2-CG 3.53Å; Y83-Q438 HydrophobicContact CE1-CB 4.36Å; Y83-Q438 HydrophobicContact CE2-CB 3.67Å; Y83-Q438 HydrophobicContact CE2-CG 3.43Å; Y83-Q438 VanDerWaalsContact CE2-CG 3.43Å; Y83-Q438 HydrophobicContact CG-CG 4.13Å; T85-Q438 HydrophobicContact CG2-CB 4.14Å; G434-Q438 PolarHBondContact O-N 3.15Å; L436-Q438 VanDerWaalsContact C-N 3.31Å; L436-Q438 PolarHBondContact O-N 3.13Å; Q438-V440 VanDerWaalsContact C-N 3.33Å; Q438-V440 PolarHBondContact O-N 2.87Å; Q438-W441 CarbonylContact O-C 3.57Å; Q438-W441 PolarHBondContact O-N 3.46Å; Q438-S442 PolarHBondContact NE2-OG 3.44Å; Q438-S442 WeakPolarHBondContact O-CB 3.4Å; Q438-S442 PolarHBondContact O-N 3.01Å; Q438-S442 PolarHBondContact O-OG 3.45Å
439	L	98.9	Very high	98.9	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-63.6	-40.7	-179.1	-172.4	62.2	0	0	0	111.5	V201 P288 V435 L436 S442 R443	V201-L439 HydrophobicContact CG1-CD2 4.45Å; V201-L439 HydrophobicContact CG1-CG 4.04Å; P288-L439 HydrophobicContact CB-CD2 4.05Å; P288-L439 HydrophobicContact CG-CD2 3.9Å; V435-L439 WeakPolarHBondContact O-CB 3.33Å; V435-L439 PolarHBondContact O-N 2.89Å; L436-L439 HydrophobicContact CD2-CD2 4.26Å; L436-L439 PolarHBondContact O-N 3.47Å; L436-L439 VanDerWaalsContact O-N 3.14Å; L439-S442 PolarHBondContact O-N 3.38Å; L439-R443 VanDerWaalsContact CD1-NH1 3.32Å; L439-R443 WeakPolarHBondContact O-CG 3.39Å; L439-R443 PolarHBondContact O-N 2.91Å; L439-R443 VanDerWaalsContact O-N 3.14Å
440	V	98.9	Very high	98.9	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.012	10%	0.1	C	C	.	.	H	α-helix	trans	-56.1	-51.2	171	174.2	0	0	0	0	110.5	L40 W198 V201 L436 Q438 S442 R443 A444	L40-V440 HydrophobicContact CD1-CG1 4.1Å; W198-V440 HydrophobicContact CE3-CG1 4.49Å; V201-V440 HydrophobicContact CG1-CG2 4.12Å; L436-V440 WeakPolarHBondContact O-CG2 3.48Å; L436-V440 PolarHBondContact O-N 3.48Å; Q438-V440 VanDerWaalsContact C-N 3.33Å; Q438-V440 PolarHBondContact O-N 2.87Å; V440-S442 VanDerWaalsContact C-N 3.34Å; V440-S442 PolarHBondContact O-N 3.43Å; V440-R443 PolarHBondContact O-N 3.38Å; V440-A444 WeakPolarHBondContact O-CB 3.26Å; V440-A444 PolarHBondContact O-N 3.37Å
441	W	98.9	Very high	98.8	Very high	11 Å²	11	27.4 Å²	27.4	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-38	177.7	-84.3	101.6	0	0	0	113.2	L40 L43 I44 E47 V127 A437 Q438 R443 A444 L445	L40-W441 HydrophobicContact CD2-CZ2 3.99Å; L43-W441 HydrophobicContact CB-CH2 4.22Å; I44-W441 HydrophobicContact CG1-CH2 4.15Å; I44-W441 HydrophobicContact CG1-CZ3 4.05Å; E47-W441 HydrophobicContact CB-CH2 4.06Å; E47-W441 HydrophobicContact CB-CZ3 3.69Å; E47-W441 HydrophobicContact CG-CE3 4.4Å; E47-W441 HydrophobicContact CG-CH2 4.23Å; E47-W441 HydrophobicContact CG-CZ3 3.69Å; V127-W441 WeakPolarHBondContact O-CZ2 3.46Å; V127-W441 PolarHBondContact O-NE1 3.07Å; A437-W441 PolarHBondContact O-N 3.27Å; Q438-W441 CarbonylContact O-C 3.57Å; Q438-W441 PolarHBondContact O-N 3.46Å; W441-R443 PolarHBondContact O-N 2.9Å; W441-A444 HydrophobicContact CE3-CB 4.41Å; W441-A444 PolarHBondContact O-N 2.98Å; W441-L445 HydrophobicContact CE3-CD1 4.08Å; W441-L445 HydrophobicContact CE3-CD2 4.08Å; W441-L445 HydrophobicContact CE3-CG 3.95Å; W441-L445 HydrophobicContact CZ3-CD2 4.18Å; W441-L445 WeakPolarHBondContact O-CB 3Å; W441-L445 VanDerWaalsContact O-CG 3.22Å; W441-L445 WeakPolarHBondContact O-CG 3.4Å; W441-L445 PolarHBondContact O-N 2.61Å
442	S	98.9	Very high	98.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-35.2	179	-56.4	0	0	0	0	111.4	Q438 L439 V440 G446 F447	Q438-S442 PolarHBondContact NE2-OG 3.44Å; Q438-S442 WeakPolarHBondContact O-CB 3.4Å; Q438-S442 PolarHBondContact O-N 3.01Å; Q438-S442 PolarHBondContact O-OG 3.45Å; L439-S442 PolarHBondContact O-N 3.38Å; V440-S442 VanDerWaalsContact C-N 3.34Å; V440-S442 PolarHBondContact O-N 3.43Å; S442-G446 PolarHBondContact O-N 3.06Å; S442-F447 WeakPolarHBondContact O-CB 3.15Å; S442-F447 PolarHBondContact O-N 3.4Å
443	R	98.9	Very high	98.7	Very high	10 Å²	10	40.3 Å²	40.3	4%	0.038	20%	0.203	C	C	.	.	H	α-helix	trans	-78.4	-40.6	173.3	-60.4	-63.9	79.7	72.9	-1.8	112.2	W198 V201 G282 L439 V440 W441 L445 G446	W198-R443 HydrophobicContact CB-CB 4.17Å; V201-R443 HydrophobicContact CB-CG 4.19Å; V201-R443 HydrophobicContact CG1-CG 4.05Å; V201-R443 HydrophobicContact CG2-CB 4.39Å; V201-R443 HydrophobicContact CG2-CG 3.71Å; G282-R443 PolarHBondContact O-NH1 3.16Å; L439-R443 VanDerWaalsContact CD1-NH1 3.32Å; L439-R443 WeakPolarHBondContact O-CG 3.39Å; L439-R443 PolarHBondContact O-N 2.91Å; L439-R443 VanDerWaalsContact O-N 3.14Å; V440-R443 PolarHBondContact O-N 3.38Å; W441-R443 PolarHBondContact O-N 2.9Å; R443-L445 VanDerWaalsContact C-N 3.27Å; R443-L445 PolarHBondContact O-N 3.28Å; R443-G446 PolarHBondContact O-N 2.87Å
444	A	98.8	Very high	98.7	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-60.9	-37.6	177.4	0	0	0	0	0	112.2	I44 Q48 W198 V440 W441 G446	I44-A444 HydrophobicContact CD1-CB 3.67Å; I44-A444 HydrophobicContact CG1-CB 3.79Å; I44-A444 HydrophobicContact CG2-CB 3.99Å; Q48-A444 PolarHBondContact NE2-O 2.76Å; W198-A444 HydrophobicContact CB-CB 3.74Å; W198-A444 HydrophobicContact CG-CB 4Å; V440-A444 WeakPolarHBondContact O-CB 3.26Å; V440-A444 PolarHBondContact O-N 3.37Å; W441-A444 HydrophobicContact CE3-CB 4.41Å; W441-A444 PolarHBondContact O-N 2.98Å; A444-G446 VanDerWaalsContact C-N 3.31Å
445	L	98.7	Very high	98.7	Very high	28 Å²	28	49.2 Å²	49.2	15%	0.147	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.2	178.2	-59.3	175.7	0	0	0	112.9	E47 Q48 I51 W441 R443 F447	E47-L445 HydrophobicContact CB-CD2 4.34Å; E47-L445 HydrophobicContact CG-CD2 4.01Å; Q48-L445 HydrophobicContact CG-CD2 4.11Å; I51-L445 HydrophobicContact CD1-CD1 3.6Å; I51-L445 HydrophobicContact CD1-CD2 3.86Å; I51-L445 HydrophobicContact CD1-CG 4.24Å; W441-L445 HydrophobicContact CE3-CD1 4.08Å; W441-L445 HydrophobicContact CE3-CD2 4.08Å; W441-L445 HydrophobicContact CE3-CG 3.95Å; W441-L445 HydrophobicContact CZ3-CD2 4.18Å; W441-L445 WeakPolarHBondContact O-CB 3Å; W441-L445 VanDerWaalsContact O-CG 3.22Å; W441-L445 WeakPolarHBondContact O-CG 3.4Å; W441-L445 PolarHBondContact O-N 2.61Å; R443-L445 VanDerWaalsContact C-N 3.27Å; R443-L445 PolarHBondContact O-N 3.28Å; L445-F447 VanDerWaalsContact C-N 3.29Å; L445-F447 HydrophobicContact CB-CD1 3.72Å; L445-F447 HydrophobicContact CB-CE1 3.53Å; L445-F447 HydrophobicContact CB-CZ 4.26Å; L445-F447 HydrophobicContact CD1-CE1 3.74Å; L445-F447 HydrophobicContact CD1-CZ 3.72Å; L445-F447 HydrophobicContact CG-CE1 4.3Å; L445-F447 PolarHBondContact O-N 2.92Å
446	G	98.4	Very high	98.6	Very high	27 Å²	27	52.6 Å²	52.6	28%	0.278	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	35.3	178.1	0	0	0	0	0	113.5	S442 R443 A444	S442-G446 PolarHBondContact O-N 3.06Å; R443-G446 PolarHBondContact O-N 2.87Å; A444-G446 VanDerWaalsContact C-N 3.31Å
447	F	98.8	Very high	98.6	Very high	34 Å²	34	56 Å²	56	15%	0.149	30%	0.302	C	S	.	.			trans	-54.9	135.7	177.1	-73	-1.5	0	0	0	110.5	V82 H279 S442 L445	V82-F447 HydrophobicContact CB-CE2 4.15Å; V82-F447 HydrophobicContact CB-CZ 4.04Å; V82-F447 HydrophobicContact CG1-CE2 4.24Å; V82-F447 HydrophobicContact CG1-CZ 3.82Å; H279-F447 AromaticContact CE1-CD2 3.84Å; S442-F447 WeakPolarHBondContact O-CB 3.15Å; S442-F447 PolarHBondContact O-N 3.4Å; L445-F447 VanDerWaalsContact C-N 3.29Å; L445-F447 HydrophobicContact CB-CD1 3.72Å; L445-F447 HydrophobicContact CB-CE1 3.53Å; L445-F447 HydrophobicContact CB-CZ 4.26Å; L445-F447 HydrophobicContact CD1-CE1 3.74Å; L445-F447 HydrophobicContact CD1-CZ 3.72Å; L445-F447 HydrophobicContact CG-CE1 4.3Å; L445-F447 PolarHBondContact O-N 2.92Å
448	P	98.6	Very high	98.5	Very high	100 Å²	100	60.6 Å²	60.6	65%	0.649	33%	0.326	S	S	*	.			trans	-75.3	174.5	-176.1	34.5	-37.1	0	0	0	111.5	E450	P448-E450 PolarHBondContact O-N 2.95Å
449	L	98.8	Very high	98.4	Very high	91 Å²	91	61.6 Å²	61.6	48%	0.476	34%	0.337	S	S	.	.			trans	-53.6	127.7	165.4	176.8	67.8	0	0	0	110.3	S283 A284 R451	S283-L449 WeakPolarHBondContact O-CA 3.47Å; A284-L449 HydrophobicContact CB-CD1 3.93Å; L449-R451 PolarHBondContact O-N 3.38Å
450	E	98.8	Very high	98.3	Very high	45 Å²	45	62.1 Å²	62.1	21%	0.21	34%	0.34	C	S	.	.			trans	-72.7	123.7	170	-172.1	-177.4	122.1	0	0	109.3	H276 H279 L280 S283 P448	H276-E450 IonicContact CD2-OE1 2.71Å; H276-E450 IonicContact CD2-OE2 2.79Å; H276-E450 IonicContact CE1-OE1 3.43Å; H276-E450 VanDerWaalsContact NE2-CD 3.35Å; H276-E450 IonicContact NE2-OE1 3.27Å; H276-E450 PolarHBondContact NE2-OE1 3.05Å; H276-E450 IonicContact NE2-OE2 3.32Å; H276-E450 PolarHBondContact NE2-OE2 2.99Å; H279-E450 IonicContact CD2-OE2 3.03Å; H279-E450 PolarHBondContact CD2-OE2 3.42Å; L280-E450 HydrophobicContact CD1-CB 3.91Å; L280-E450 HydrophobicContact CD1-CG 4.21Å; S283-E450 PolarHBondContact OG-N 2.73Å; P448-E450 PolarHBondContact O-N 2.95Å
451	R	98.3	Very high	98.2	Very high	209 Å²	209	64.6 Å²	64.6	79%	0.789	35%	0.352	S	S	*	.			trans	-150.7	69.5	-173	-165.7	173	62.6	-172.5	-1	112.2	L449	L449-R451 PolarHBondContact O-N 3.38Å
452	P	98	Very high	98.1	Very high	85 Å²	85	68.5 Å²	68.5	55%	0.552	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-61.7	152.5	174.3	28.5	-35.6	0	0	0	110.9	M75	M75-P452 HydrophobicContact CE-CB 4.21Å; M75-P452 HydrophobicContact CE-CG 4.33Å
453	K	98.2	Very high	98	Very high	192 Å²	192	74.3 Å²	74.3	84%	0.835	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-90.6	122.9	175.3	-177.5	63.9	177.6	179.6	0	109.6
454	S	98.2	Very high	97.8	Very high	103 Å²	103	78 Å²	78	72%	0.72	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-84	156.4	170.8	61.1	0	0	0	0	111.8
455	M	97.9	Very high	97.4	Very high	85 Å²	85	81 Å²	81	42%	0.419	47%	0.466	S	S	.	.			trans	-138.6	145.4	172	-64.1	-169.9	66.9	0	0	109.5	G459 L460 L463	M455-G459 WeakPolarHBondContact CE-O 3.39Å; M455-L460 HydrophobicContact CB-CD2 4.09Å; M455-L460 HydrophobicContact CB-CG 3.99Å; M455-L460 HydrophobicContact CE-CD2 4.16Å; M455-L460 HydrophobicContact SD-CD2 3.8Å; M455-L463 HydrophobicContact CE-CB 4.09Å; M455-L463 HydrophobicContact CE-CD2 3.88Å; M455-L463 HydrophobicContact SD-CD2 3.98Å
456	S	97.9	Very high	96.8	Very high	73 Å²	73	83.1 Å²	83.1	51%	0.51	48%	0.48	S	S	.	.			trans	-79.1	165.4	168.2	62.5	0	0	0	0	110.8	D458 G459 L460	S456-D458 VanDerWaalsContact C-N 3.33Å; S456-D458 PolarHBondContact O-N 3.33Å; S456-G459 PolarHBondContact O-N 3.41Å; S456-G459 VanDerWaalsContact O-N 3.13Å; S456-G459 PolarHBondContact OG-N 2.79Å; S456-G459 VanDerWaalsContact OG-N 3.13Å; S456-L460 PolarHBondContact O-N 3.25Å
457	T	97.9	Very high	95.4	Very high	73 Å²	73	91.2 Å²	91.2	45%	0.448	51%	0.508	S	S	.	.	H	α-helix	trans	-53.7	-48.7	171.5	-56.3	0	0	0	0	111.5	Y72 G459 L460 M461	Y72-T457 WeakPolarHBondContact OH-CA 3.12Å; Y72-T457 VanDerWaalsContact OH-CB 3.26Å; Y72-T457 WeakPolarHBondContact OH-CB 3.4Å; Y72-T457 VanDerWaalsContact OH-CG2 3.31Å; Y72-T457 WeakPolarHBondContact OH-CG2 3.49Å; Y72-T457 PolarHBondContact OH-OG1 2.73Å; T457-G459 VanDerWaalsContact C-N 3.28Å; T457-G459 PolarHBondContact O-N 3.19Å; T457-L460 PolarHBondContact O-N 3.48Å; T457-L460 VanDerWaalsContact O-N 3.09Å; T457-M461 HydrophobicContact CG2-CG 4.42Å; T457-M461 HydrophobicContact CG2-SD 4.19Å; T457-M461 WeakPolarHBondContact O-CG 3.49Å; T457-M461 PolarHBondContact O-N 3.31Å
458	D	96.9	Very high	93.6	Very high	95 Å²	95	93.1 Å²	93.1	51%	0.508	53%	0.525	S	S	.	.	H	α-helix	trans	-60.7	-38.3	177.4	-59.8	-35	0	0	0	112.3	S456 M461 S462	S456-D458 VanDerWaalsContact C-N 3.33Å; S456-D458 PolarHBondContact O-N 3.33Å; D458-M461 PolarHBondContact O-N 3.22Å; D458-S462 VanDerWaalsContact O-CB 3.28Å; D458-S462 WeakPolarHBondContact O-CB 3.43Å; D458-S462 PolarHBondContact O-N 2.95Å
459	G	97.5	Very high	91.6	Very high	24 Å²	24	95.4 Å²	95.4	25%	0.247	57%	0.567	C	S	.	*	H	α-helix	trans	-63	-40.9	175	0	0	0	0	0	112.3	M455 S456 T457 L463	M455-G459 WeakPolarHBondContact CE-O 3.39Å; S456-G459 PolarHBondContact O-N 3.41Å; S456-G459 VanDerWaalsContact O-N 3.13Å; S456-G459 PolarHBondContact OG-N 2.79Å; S456-G459 VanDerWaalsContact OG-N 3.13Å; T457-G459 VanDerWaalsContact C-N 3.28Å; T457-G459 PolarHBondContact O-N 3.19Å; G459-L463 VanDerWaalsContact O-CB 3.29Å; G459-L463 WeakPolarHBondContact O-CB 3.33Å; G459-L463 PolarHBondContact O-N 3.08Å
460	L	97.1	Very high	91.2	Very high	14 Å²	14	95.6 Å²	95.6	7%	0.073	57%	0.571	C	S	.	*	H	α-helix	trans	-69.3	-42.5	175.6	-72.1	172.3	0	0	0	111.8	V71 Y72 M455 S456 T457 L463 V464	V71-L460 HydrophobicContact CG1-CD1 4.34Å; Y72-L460 HydrophobicContact CD2-CD1 4.49Å; Y72-L460 HydrophobicContact CE2-CD1 3.75Å; M455-L460 HydrophobicContact CB-CD2 4.09Å; M455-L460 HydrophobicContact CB-CG 3.99Å; M455-L460 HydrophobicContact CE-CD2 4.16Å; M455-L460 HydrophobicContact SD-CD2 3.8Å; S456-L460 PolarHBondContact O-N 3.25Å; T457-L460 PolarHBondContact O-N 3.48Å; T457-L460 VanDerWaalsContact O-N 3.09Å; L460-L463 WeakPolarHBondContact O-CB 3.25Å; L460-L463 PolarHBondContact O-N 3.23Å; L460-V464 WeakPolarHBondContact O-CG2 3.45Å; L460-V464 PolarHBondContact O-N 3.36Å
461	M	97.1	Very high	90.8	Very high	54 Å²	54	98.3 Å²	98.3	27%	0.266	59%	0.59	S	S	.	*	H	α-helix	trans	-58.9	-49.5	175.6	-72.4	-178.6	74.5	0	0	111.1	T457 D458 L463 V464 G465 T466 K467	T457-M461 HydrophobicContact CG2-CG 4.42Å; T457-M461 HydrophobicContact CG2-SD 4.19Å; T457-M461 WeakPolarHBondContact O-CG 3.49Å; T457-M461 PolarHBondContact O-N 3.31Å; D458-M461 PolarHBondContact O-N 3.22Å; M461-L463 VanDerWaalsContact C-N 3.32Å; M461-L463 PolarHBondContact O-N 2.9Å; M461-V464 CarbonylContact O-C 3.17Å; M461-V464 WeakPolarHBondContact O-CG2 3.44Å; M461-V464 PolarHBondContact O-N 2.85Å; M461-G465 PolarHBondContact O-N 2.97Å; M461-T466 CarbonylContact C-O 3.3Å; M461-T466 VanDerWaalsContact C-O 3.3Å; M461-T466 VanDerWaalsContact CA-OG1 3.28Å; M461-T466 WeakPolarHBondContact CA-OG1 3.27Å; M461-T466 VanDerWaalsContact CB-OG1 3.32Å; M461-T466 WeakPolarHBondContact CB-OG1 3.29Å; M461-T466 PolarHBondContact O-N 3.11Å; M461-T466 PolarHBondContact O-OG1 3.19Å; M461-K467 WeakPolarHBondContact CE-O 3.32Å
462	S	96.2	Very high	90.4	Very high	92 Å²	92	92.1 Å²	92.1	64%	0.643	58%	0.579	S	S	*	*	H	α-helix	trans	-58.3	-43.7	174.7	-176	0	0	0	0	111.9	D458 V464 G465	D458-S462 VanDerWaalsContact O-CB 3.28Å; D458-S462 WeakPolarHBondContact O-CB 3.43Å; D458-S462 PolarHBondContact O-N 2.95Å; S462-V464 VanDerWaalsContact C-N 3.31Å; S462-V464 PolarHBondContact O-N 3.23Å; S462-G465 PolarHBondContact O-N 3.31Å; S462-G465 VanDerWaalsContact O-N 3.12Å
463	L	96.1	Very high	89.9	Confident	122 Å²	122	92.5 Å²	92.5	64%	0.639	58%	0.581	S	S	*	*	H	α-helix	trans	-60.9	-36.4	177.9	-179.7	66.1	0	0	0	113	M455 G459 L460 M461	M455-L463 HydrophobicContact CE-CB 4.09Å; M455-L463 HydrophobicContact CE-CD2 3.88Å; M455-L463 HydrophobicContact SD-CD2 3.98Å; G459-L463 VanDerWaalsContact O-CB 3.29Å; G459-L463 WeakPolarHBondContact O-CB 3.33Å; G459-L463 PolarHBondContact O-N 3.08Å; L460-L463 WeakPolarHBondContact O-CB 3.25Å; L460-L463 PolarHBondContact O-N 3.23Å; M461-L463 VanDerWaalsContact C-N 3.32Å; M461-L463 PolarHBondContact O-N 2.9Å
464	V	96.1	Very high	89.4	Confident	88 Å²	88	86.3 Å²	86.3	53%	0.533	57%	0.565	S	S	.	*	H	α-helix	trans	-91.6	3.2	178	-55.1	0	0	0	0	113.5	V68 L460 M461 S462 T466	V68-V464 HydrophobicContact CG2-CG1 4.36Å; L460-V464 WeakPolarHBondContact O-CG2 3.45Å; L460-V464 PolarHBondContact O-N 3.36Å; M461-V464 CarbonylContact O-C 3.17Å; M461-V464 WeakPolarHBondContact O-CG2 3.44Å; M461-V464 PolarHBondContact O-N 2.85Å; S462-V464 VanDerWaalsContact C-N 3.31Å; S462-V464 PolarHBondContact O-N 3.23Å; V464-T466 HydrophobicContact CG2-CG2 4.31Å
465	G	90.9	Very high	88.8	Confident	68 Å²	68	85.2 Å²	85.2	70%	0.701	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.8	18.6	175.8	0	0	0	0	0	115.4	M461 S462	M461-G465 PolarHBondContact O-N 2.97Å; S462-G465 PolarHBondContact O-N 3.31Å; S462-G465 VanDerWaalsContact O-N 3.12Å
466	T	86.1	Confident	88.2	Confident	71 Å²	71	85.2 Å²	85.2	44%	0.436	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-96.2	136.4	172.3	53.5	0	0	0	0	110.8	M461 V464	M461-T466 CarbonylContact C-O 3.3Å; M461-T466 VanDerWaalsContact C-O 3.3Å; M461-T466 VanDerWaalsContact CA-OG1 3.28Å; M461-T466 WeakPolarHBondContact CA-OG1 3.27Å; M461-T466 VanDerWaalsContact CB-OG1 3.32Å; M461-T466 WeakPolarHBondContact CB-OG1 3.29Å; M461-T466 PolarHBondContact O-N 3.11Å; M461-T466 PolarHBondContact O-OG1 3.19Å; V464-T466 HydrophobicContact CG2-CG2 4.31Å
467	K	67.4	Low	87.4	Confident	198 Å²	198	86.2 Å²	86.2	86%	0.861	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-70.5	131.4	173.6	-67	-175.2	-180	-178.6	0	108.7	M461 G469	M461-K467 WeakPolarHBondContact CE-O 3.32Å; K467-G469 PolarHBondContact O-N 3.41Å
468	S	61.2	Low	86.6	Confident	74 Å²	74	87.3 Å²	87.3	52%	0.517	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-56.9	124.3	164.2	31.1	0	0	0	0	108.3
469	G	55.8	Low	85.6	Confident	147 Å²	147	86.5 Å²	86.5	100%	1.515	59%	0.585	S	S	*	*			trans	-80.4	0	-177	0	0	0	0	0	112.9	K467	K467-G469 PolarHBondContact O-N 3.41Å

Retrieved 469 of 469 residues in 504.9 ms (Link to these results)

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