POMT1_RAT Loading...

Protein O-mannosyl-transferase 1

Transfers mannosyl residues to the hydroxyl group of serine or threonine residues. Coexpression of both POMT1 and POMT2 is necessary for enzyme activity, expression of either POMT1 or POMT2 alone is insufficient. Essentially dedicated to O-mannosylation of alpha-DAG1 and few other proteins but not of cadherins and protocaherins.

AlphaFold DB , UniProt , Accession Q99PR0, Species RAT (Rattus norvegicus, Rat), Gene Pomt1, Length 747 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	38.8	Very low	33.4	Very low	255 Å²	255	169.4 Å²	169.4	100%	1.256	91%	0.909	S	S	*	*				0	115.9	0	-81.3	176.1	170.2	0	0	108.1
2	G	39.9	Very low	33.1	Very low	86 Å²	86	169.8 Å²	169.8	89%	0.887	91%	0.91	S	S	*	*			trans	122.2	66.9	166.2	0	0	0	0	0	118
3	N	36.9	Very low	33	Very low	168 Å²	168	161.5 Å²	161.5	90%	0.898	89%	0.889	S	S	*	*			trans	2.6	143.7	157.8	-89.7	-10.4	0	0	0	125.4
4	R	32	Very low	33.4	Very low	245 Å²	245	157.9 Å²	157.9	93%	0.925	87%	0.874	S	S	*	*			trans	-61	146.3	162.7	-68.1	169	167.1	172.9	-4.6	114.5
5	S	37.5	Very low	33.9	Very low	112 Å²	112	156.2 Å²	156.2	78%	0.783	86%	0.862	S	S	*	*			trans	-156.1	101	141.3	60.8	0	0	0	0	108.1
6	M	31.5	Very low	34.3	Very low	196 Å²	196	152.6 Å²	152.6	97%	0.966	85%	0.848	S	S	*	*				41.7	106.1	97.8	-103.8	175.7	129.9	0	0	114.6
7	G	31.1	Very low	34.8	Very low	81 Å²	81	147.1 Å²	147.1	84%	0.835	82%	0.822	S	S	*	*			trans	-160.3	94.6	164.8	0	0	0	0	0	107.9
8	R	30	Very low	35.3	Very low	246 Å²	246	145.7 Å²	145.7	93%	0.928	81%	0.812	S	S	*	*			trans	-107.1	99.7	179	-179.9	-172.6	-167.7	179.6	3.6	105.3
9	E	28.6	Very low	35.7	Very low	182 Å²	182	145.1 Å²	145.1	85%	0.85	81%	0.806	S	S	*	*			trans	-155.5	142	171	-109.9	162.5	-164.3	0	0	109.9
10	D	30.5	Very low	35.9	Very low	147 Å²	147	144.6 Å²	144.6	79%	0.786	80%	0.795	S	S	*	*			trans	85.5	64.4	165.2	-54.6	-15.3	0	0	0	120.5
11	T	30.9	Very low	36.2	Very low	145 Å²	145	141.8 Å²	141.8	89%	0.89	79%	0.785	S	S	*	*			trans	-107.7	63.7	146.6	52	0	0	0	0	110.8
12	L	29.9	Very low	36.4	Very low	175 Å²	175	137.5 Å²	137.5	92%	0.916	76%	0.759	S	S	*	*			trans	-156.4	83.2	169.8	-125	118	0	0	0	110.4
13	G	31.8	Very low	36.6	Very low	62 Å²	62	140.2 Å²	140.2	64%	0.639	75%	0.751	S	S	*	*			trans	-172.9	-4.7	178.4	0	0	0	0	0	119
14	V	38.5	Very low	36.9	Very low	111 Å²	111	136.6 Å²	136.6	67%	0.673	73%	0.731	S	S	*	*			trans	-98	-0.2	-166	-171.3	0	0	0	0	114.7	S17	V14-S17 PolarHBondContact O-OG 3.36Å
15	L	40.8	Very low	37.4	Very low	132 Å²	132	134 Å²	134	69%	0.691	72%	0.721	S	S	*	*	H	α-helix	trans	-81.4	-35.1	-177.2	-125.4	82.2	0	0	0	116.3	S17	L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.25Å
16	P	39.7	Very low	37.9	Very low	99 Å²	99	135.9 Å²	135.9	64%	0.643	72%	0.716	S	S	*	*	H	α-helix	trans	-73.8	-21.9	-179.2	-14	28.2	0	0	0	113.6	F20	P16-F20 PolarHBondContact O-N 3.24Å
17	S	44.1	Very low	38.8	Very low	59 Å²	59	133.7 Å²	133.7	41%	0.413	71%	0.707	S	S	.	*	H	α-helix	trans	-74.9	-26.4	-172.4	65.9	0	0	0	0	113.4	V14 L15 C21	V14-S17 PolarHBondContact O-OG 3.36Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.25Å; S17-C21 WeakPolarHBondContact O-CB 3.21Å; S17-C21 PolarHBondContact O-N 3.48Å
18	L	42.7	Very low	39.6	Very low	122 Å²	122	139 Å²	139	64%	0.639	71%	0.707	S	S	*	*	H	α-helix	trans	-74.1	-33.3	-178.8	-104.6	137.1	0	0	0	113.5	K22	L18-K22 PolarHBondContact O-N 3.35Å
19	L	43.4	Very low	40.6	Very low	133 Å²	133	137 Å²	137	70%	0.696	70%	0.7	S	S	*	*	H	α-helix	trans	-72.6	-41.9	173.3	-95.1	147.3	0	0	0	111.1	K22 M23	L19-K22 PolarHBondContact O-N 3.04Å; L19-M23 PolarHBondContact O-N 2.85Å
20	F	40.1	Very low	42.2	Very low	135 Å²	135	133.9 Å²	133.9	59%	0.592	70%	0.695	S	S	*	*	H	α-helix	trans	-68.9	-38.2	177.5	-153.1	-104.2	0	0	0	112.3	P16 K22 M23 L24	P16-F20 PolarHBondContact O-N 3.24Å; F20-K22 VanDerWaalsContact C-N 3.34Å; F20-K22 PolarHBondContact O-N 3.24Å; F20-M23 PolarHBondContact O-N 3.27Å; F20-L24 HydrophobicContact CD1-CD1 3.46Å; F20-L24 VanDerWaalsContact CD1-CD1 3.46Å; F20-L24 HydrophobicContact CE1-CD1 3.38Å; F20-L24 HydrophobicContact CG-CD1 4.48Å; F20-L24 HydrophobicContact CZ-CD1 4.33Å; F20-L24 PolarHBondContact O-N 3.32Å
21	C	41	Very low	43.6	Very low	86 Å²	86	133.6 Å²	133.6	58%	0.581	69%	0.693	S	S	*	*	H	α-helix	trans	-66.4	-30.2	174.3	-91.8	0	0	0	0	113.7	S17 R25	S17-C21 WeakPolarHBondContact O-CB 3.21Å; S17-C21 PolarHBondContact O-N 3.48Å; C21-R25 PolarHBondContact O-N 3.05Å
22	K	44.1	Very low	45.4	Very low	165 Å²	165	132.1 Å²	132.1	72%	0.717	68%	0.683	S	S	*	*	H	α-helix	trans	-69.6	-36.8	172.2	-96.1	-178.5	175.1	179	0	111.8	L18 L19 F20	L18-K22 PolarHBondContact O-N 3.35Å; L19-K22 PolarHBondContact O-N 3.04Å; F20-K22 VanDerWaalsContact C-N 3.34Å; F20-K22 PolarHBondContact O-N 3.24Å
23	M	43.1	Very low	47.4	Very low	143 Å²	143	128.9 Å²	128.9	70%	0.704	67%	0.67	S	S	*	*	H	α-helix	trans	-67.3	-42.3	176.4	-124.2	-178.8	79.9	0	0	112.3	L19 F20 R25 F26	L19-M23 PolarHBondContact O-N 2.85Å; F20-M23 PolarHBondContact O-N 3.27Å; M23-R25 VanDerWaalsContact C-N 3.31Å; M23-R25 PolarHBondContact O-N 3.22Å; M23-F26 VanDerWaalsContact O-CB 3.31Å; M23-F26 WeakPolarHBondContact O-CB 3.31Å; M23-F26 PolarHBondContact O-N 3.28Å
24	L	43.1	Very low	49.3	Very low	92 Å²	92	131.2 Å²	131.2	48%	0.482	67%	0.672	S	S	.	*	H	α-helix	trans	-71.7	-19.1	179.3	-96.4	139.6	0	0	0	114.7	F20 F26 L27	F20-L24 HydrophobicContact CD1-CD1 3.46Å; F20-L24 VanDerWaalsContact CD1-CD1 3.46Å; F20-L24 HydrophobicContact CE1-CD1 3.38Å; F20-L24 HydrophobicContact CG-CD1 4.48Å; F20-L24 HydrophobicContact CZ-CD1 4.33Å; F20-L24 PolarHBondContact O-N 3.32Å; L24-F26 PolarHBondContact O-N 3.39Å; L24-L27 HydrophobicContact CD2-CD1 4.32Å; L24-L27 PolarHBondContact O-N 3.44Å
25	R	44.2	Very low	51	Low	192 Å²	192	132.3 Å²	132.3	73%	0.725	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-65.7	-19.3	174.4	-129.9	178.5	-157	172.6	6.9	112.8	C21 M23 L27 K28	C21-R25 PolarHBondContact O-N 3.05Å; M23-R25 VanDerWaalsContact C-N 3.31Å; M23-R25 PolarHBondContact O-N 3.22Å; R25-L27 VanDerWaalsContact C-N 3.33Å; R25-K28 PolarHBondContact O-N 3.37Å
26	F	47.8	Very low	52.9	Low	151 Å²	151	133.2 Å²	133.2	66%	0.662	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-68.5	-30.5	179	-149.8	-91.9	0	0	0	112.7	M23 L24 K28 L31	M23-F26 VanDerWaalsContact O-CB 3.31Å; M23-F26 WeakPolarHBondContact O-CB 3.31Å; M23-F26 PolarHBondContact O-N 3.28Å; L24-F26 PolarHBondContact O-N 3.39Å; F26-K28 PolarHBondContact O-N 3.32Å; F26-L31 HydrophobicContact CE1-CD1 4.47Å
27	L	48.9	Very low	54.9	Low	149 Å²	149	134.3 Å²	134.3	78%	0.78	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-71.5	-10.4	177.4	-87.7	138.8	0	0	0	114	L24 R25	L24-L27 HydrophobicContact CD2-CD1 4.32Å; L24-L27 PolarHBondContact O-N 3.44Å; R25-L27 VanDerWaalsContact C-N 3.33Å
28	K	48.5	Very low	57	Low	194 Å²	194	133.9 Å²	133.9	84%	0.843	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-105.5	6.1	-176.9	-76.3	-170	175.5	-175	0	114.7	R25 F26	R25-K28 PolarHBondContact O-N 3.37Å; F26-K28 PolarHBondContact O-N 3.32Å
29	R	52.1	Low	59.4	Low	204 Å²	204	134.5 Å²	134.5	77%	0.77	67%	0.674	S	S	*	*	S	Bend	trans	-123.4	142.6	175.5	-70.2	-170.1	176.5	-160.4	-1.6	110.7	L31	R29-L31 PolarHBondContact O-N 3.43Å
30	P	61.3	Low	61.7	Low	115 Å²	115	131.4 Å²	131.4	75%	0.747	66%	0.658	S	S	*	*			trans	-59.8	138	177.3	25.2	-33	0	0	0	110	V32	P30-V32 PolarHBondContact O-N 3.47Å
31	L	59.6	Low	64.3	Low	142 Å²	142	127.4 Å²	127.4	74%	0.743	64%	0.643	S	S	*	*			trans	-76.5	94.1	178.4	-158.2	139.4	0	0	0	108	F26 R29 V33	F26-L31 HydrophobicContact CE1-CD1 4.47Å; R29-L31 PolarHBondContact O-N 3.43Å; L31-V33 HydrophobicContact CD2-CG2 3.61Å
32	V	69.5	Low	66.9	Low	114 Å²	114	126.8 Å²	126.8	69%	0.691	64%	0.636	S	S	*	*			trans	-87.2	113.4	177.4	-177.1	0	0	0	0	108.1	P30 T34	P30-V32 PolarHBondContact O-N 3.47Å; V32-T34 HydrophobicContact CG1-CG2 4.18Å
33	V	70.9	Confident	69.3	Low	107 Å²	107	121.3 Å²	121.3	65%	0.648	62%	0.622	S	S	*	*			trans	-96.3	105.5	173.3	-175.7	0	0	0	0	108	L31 I35	L31-V33 HydrophobicContact CD2-CG2 3.61Å; V33-I35 HydrophobicContact CG1-CG1 4.1Å
34	T	72.7	Confident	71.9	Confident	110 Å²	110	114.6 Å²	114.6	68%	0.675	59%	0.589	S	S	*	*			trans	-90.3	118.7	170.8	49	0	0	0	0	109	V32	V32-T34 HydrophobicContact CG1-CG2 4.18Å
35	I	74.5	Confident	74.5	Confident	134 Å²	134	111.9 Å²	111.9	69%	0.687	58%	0.576	S	S	*	*			trans	-101.2	104.1	178	-57.2	177.6	0	0	0	108.3	V33 I37	V33-I35 HydrophobicContact CG1-CG1 4.1Å; I35-I37 HydrophobicContact CG2-CD1 4.47Å; I35-I37 HydrophobicContact CG2-CG1 3.88Å
36	D	79.2	Confident	77	Confident	151 Å²	151	106.2 Å²	106.2	81%	0.807	56%	0.562	S	S	*	*			trans	-94.3	108.2	172.1	-67.7	-34.5	0	0	0	109.6	N38	D36-N38 PolarHBondContact O-N 3.22Å
37	I	82.4	Confident	79.3	Confident	122 Å²	122	102.7 Å²	102.7	63%	0.626	55%	0.55	S	S	*	*			trans	-88.9	106.6	-179.7	-56.4	176.7	0	0	0	109.1	I35 L39 V42	I35-I37 HydrophobicContact CG2-CD1 4.47Å; I35-I37 HydrophobicContact CG2-CG1 3.88Å; I37-L39 PolarHBondContact O-N 3.45Å; I37-V42 HydrophobicContact CG2-CG2 3.96Å
38	N	88.6	Confident	81.6	Confident	51 Å²	51	95.6 Å²	95.6	27%	0.273	51%	0.513	S	S	.	.			trans	-79.6	103.7	170.2	-172.8	-30.4	0	0	0	110.1	D36 N40 L41 V42	D36-N38 PolarHBondContact O-N 3.22Å; N38-N40 PolarHBondContact O-N 3.5Å; N38-N40 VanDerWaalsContact OD1-CB 3.28Å; N38-N40 WeakPolarHBondContact OD1-CB 3.47Å; N38-N40 PolarHBondContact OD1-N 2.88Å; N38-L41 HydrophobicContact CB-CB 3.96Å; N38-L41 WeakPolarHBondContact O-CB 3.37Å; N38-L41 PolarHBondContact O-N 3.26Å; N38-L41 VanDerWaalsContact O-N 3.08Å; N38-L41 PolarHBondContact OD1-N 3.49Å; N38-V42 PolarHBondContact O-N 3.42Å; N38-V42 VanDerWaalsContact O-N 3.08Å
39	L	92.6	Very high	83.9	Confident	135 Å²	135	88.9 Å²	88.9	71%	0.707	49%	0.486	S	S	*	.	H	α-helix	trans	-57.2	-35.3	179.9	-67.6	174.4	0	0	0	113.2	I37 L41 V42 A43	I37-L39 PolarHBondContact O-N 3.45Å; L39-L41 VanDerWaalsContact C-N 3.35Å; L39-V42 PolarHBondContact O-N 3.3Å; L39-A43 WeakPolarHBondContact O-CB 3.43Å; L39-A43 PolarHBondContact O-N 2.91Å
40	N	92.8	Very high	86	Confident	68 Å²	68	84.1 Å²	84.1	36%	0.364	48%	0.475	S	S	.	.	H	α-helix	trans	-64.3	-43	177.2	-65.7	-42.8	0	0	0	111	N38 A43 L44 Y142 M156	N38-N40 PolarHBondContact O-N 3.5Å; N38-N40 VanDerWaalsContact OD1-CB 3.28Å; N38-N40 WeakPolarHBondContact OD1-CB 3.47Å; N38-N40 PolarHBondContact OD1-N 2.88Å; N40-A43 PolarHBondContact O-N 3.37Å; N40-L44 WeakPolarHBondContact O-CB 3.34Å; N40-L44 VanDerWaalsContact O-CG 3.26Å; N40-L44 WeakPolarHBondContact O-CG 3.43Å; N40-L44 PolarHBondContact O-N 2.66Å; N40-Y142 HydrophobicContact CB-CE2 4.31Å; N40-Y142 PolarHBondContact ND2-OH 3.42Å; N40-M156 HydrophobicContact CB-CE 3.62Å
41	L	93.6	Very high	87.6	Confident	50 Å²	50	80.3 Å²	80.3	26%	0.262	45%	0.45	S	S	.	.	H	α-helix	trans	-64.1	-43.5	178.2	-169.9	69.5	0	0	0	111.2	N38 L39 T45 P139 Y142 Q143	N38-L41 HydrophobicContact CB-CB 3.96Å; N38-L41 WeakPolarHBondContact O-CB 3.37Å; N38-L41 PolarHBondContact O-N 3.26Å; N38-L41 VanDerWaalsContact O-N 3.08Å; N38-L41 PolarHBondContact OD1-N 3.49Å; L39-L41 VanDerWaalsContact C-N 3.35Å; L41-T45 WeakPolarHBondContact O-CB 3.34Å; L41-T45 PolarHBondContact O-N 3.24Å; L41-T45 PolarHBondContact O-OG1 3.1Å; L41-P139 HydrophobicContact CD1-CB 3.46Å; L41-P139 VanDerWaalsContact CD1-CB 3.46Å; L41-P139 HydrophobicContact CG-CB 4.35Å; L41-Y142 HydrophobicContact CD1-CD1 4.18Å; L41-Q143 HydrophobicContact CD1-CG 3.82Å
42	V	95	Very high	89.4	Confident	73 Å²	73	73.6 Å²	73.6	44%	0.442	42%	0.415	S	S	.	.	H	α-helix	trans	-62.4	-48.6	177.1	176	0	0	0	0	110.4	I37 N38 L39 L44 T45 V46	I37-V42 HydrophobicContact CG2-CG2 3.96Å; N38-V42 PolarHBondContact O-N 3.42Å; N38-V42 VanDerWaalsContact O-N 3.08Å; L39-V42 PolarHBondContact O-N 3.3Å; V42-L44 PolarHBondContact O-N 3.26Å; V42-T45 PolarHBondContact O-N 3.38Å; V42-V46 HydrophobicContact CG1-CG2 4.44Å; V42-V46 WeakPolarHBondContact O-CG2 3.3Å; V42-V46 PolarHBondContact O-N 3.23Å
43	A	96.1	Very high	90.6	Very high	50 Å²	50	70.5 Å²	70.5	41%	0.413	39%	0.394	S	S	.	.	H	α-helix	trans	-59.5	-47.1	178.8	0	0	0	0	0	112	L39 N40 T45 V46 L47	L39-A43 WeakPolarHBondContact O-CB 3.43Å; L39-A43 PolarHBondContact O-N 2.91Å; N40-A43 PolarHBondContact O-N 3.37Å; A43-T45 VanDerWaalsContact C-N 3.32Å; A43-T45 PolarHBondContact O-N 3.03Å; A43-V46 PolarHBondContact O-N 3.39Å; A43-L47 WeakPolarHBondContact O-CB 3.39Å; A43-L47 VanDerWaalsContact O-CG 3.3Å; A43-L47 WeakPolarHBondContact O-CG 3.45Å; A43-L47 PolarHBondContact O-N 3.16Å
44	L	96.7	Very high	91.7	Very high	3 Å²	3	72 Å²	72	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-62.2	-38.8	176.6	-74.7	171.9	0	0	0	112.4	N40 V42 G48 V138 Y142 M156 A159 L160	N40-L44 WeakPolarHBondContact O-CB 3.34Å; N40-L44 VanDerWaalsContact O-CG 3.26Å; N40-L44 WeakPolarHBondContact O-CG 3.43Å; N40-L44 PolarHBondContact O-N 2.66Å; V42-L44 PolarHBondContact O-N 3.26Å; L44-G48 PolarHBondContact O-N 2.97Å; L44-V138 HydrophobicContact CD2-CG1 4.37Å; L44-Y142 HydrophobicContact CD1-CD2 3.77Å; L44-Y142 HydrophobicContact CD1-CG 3.79Å; L44-M156 HydrophobicContact CD1-CE 4.07Å; L44-M156 HydrophobicContact CD1-SD 3.88Å; L44-M156 HydrophobicContact CD2-SD 3.71Å; L44-M156 HydrophobicContact CG-CE 4.28Å; L44-M156 HydrophobicContact CG-SD 3.95Å; L44-A159 HydrophobicContact CD1-CB 3.62Å; L44-A159 HydrophobicContact CD2-CB 3.82Å; L44-A159 HydrophobicContact CG-CB 4.33Å; L44-L160 HydrophobicContact CD2-CD2 4.41Å
45	T	97	Very high	92.6	Very high	34 Å²	34	71.3 Å²	71.3	21%	0.209	38%	0.377	C	S	.	.	H	α-helix	trans	-65.5	-45.4	176.9	-54.9	0	0	0	0	110.8	L41 V42 A43 G48 L49 L136	L41-T45 WeakPolarHBondContact O-CB 3.34Å; L41-T45 PolarHBondContact O-N 3.24Å; L41-T45 PolarHBondContact O-OG1 3.1Å; V42-T45 PolarHBondContact O-N 3.38Å; A43-T45 VanDerWaalsContact C-N 3.32Å; A43-T45 PolarHBondContact O-N 3.03Å; T45-G48 PolarHBondContact O-N 3.35Å; T45-L49 HydrophobicContact CG2-CD1 4.13Å; T45-L49 WeakPolarHBondContact O-CB 3.33Å; T45-L49 VanDerWaalsContact O-CG 3.26Å; T45-L49 WeakPolarHBondContact O-CG 3.39Å; T45-L49 PolarHBondContact O-N 3.12Å; T45-L136 HydrophobicContact CG2-CD2 4.24Å
46	V	97.3	Very high	93.4	Very high	73 Å²	73	65 Å²	65	44%	0.442	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-45.7	177.3	171.6	0	0	0	0	111	V42 A43 L49 L50	V42-V46 HydrophobicContact CG1-CG2 4.44Å; V42-V46 WeakPolarHBondContact O-CG2 3.3Å; V42-V46 PolarHBondContact O-N 3.23Å; A43-V46 PolarHBondContact O-N 3.39Å; V46-L49 PolarHBondContact O-N 3.38Å; V46-L50 HydrophobicContact CG1-CD1 4.01Å; V46-L50 HydrophobicContact CG1-CG 4.44Å; V46-L50 VanDerWaalsContact O-CG 3.32Å; V46-L50 WeakPolarHBondContact O-CG 3.37Å; V46-L50 PolarHBondContact O-N 3.01Å
47	L	96.8	Very high	94.1	Very high	78 Å²	78	60.1 Å²	60.1	41%	0.408	32%	0.322	S	S	.	.	H	α-helix	trans	-64.4	-40.7	177.3	-70.7	169.8	0	0	0	112.2	A43 L50 T51 L163	A43-L47 WeakPolarHBondContact O-CB 3.39Å; A43-L47 VanDerWaalsContact O-CG 3.3Å; A43-L47 WeakPolarHBondContact O-CG 3.45Å; A43-L47 PolarHBondContact O-N 3.16Å; L47-L50 PolarHBondContact O-N 2.89Å; L47-T51 WeakPolarHBondContact O-CG2 3.17Å; L47-T51 PolarHBondContact O-N 2.85Å; L47-T51 PolarHBondContact O-OG1 3.4Å; L47-L163 HydrophobicContact CB-CD1 4.24Å; L47-L163 HydrophobicContact CB-CD2 3.97Å; L47-L163 HydrophobicContact CD1-CD2 4.38Å
48	G	97	Very high	94.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.1	-49	172.8	0	0	0	0	0	111.3	L44 T45 L50 T51 R52	L44-G48 PolarHBondContact O-N 2.97Å; T45-G48 PolarHBondContact O-N 3.35Å; G48-L50 PolarHBondContact O-N 3.13Å; G48-T51 PolarHBondContact O-N 3.28Å; G48-T51 PolarHBondContact O-OG1 3.39Å; G48-R52 WeakPolarHBondContact O-CD 3.4Å; G48-R52 PolarHBondContact O-N 3.33Å; G48-R52 VanDerWaalsContact O-N 3.12Å
49	L	97.1	Very high	94.6	Very high	52 Å²	52	54.5 Å²	54.5	27%	0.272	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-45.6	177.9	-71.6	168.8	0	0	0	111.9	T45 V46 T51 R52 L53 L132 A135	T45-L49 HydrophobicContact CG2-CD1 4.13Å; T45-L49 WeakPolarHBondContact O-CB 3.33Å; T45-L49 VanDerWaalsContact O-CG 3.26Å; T45-L49 WeakPolarHBondContact O-CG 3.39Å; T45-L49 PolarHBondContact O-N 3.12Å; V46-L49 PolarHBondContact O-N 3.38Å; L49-T51 PolarHBondContact O-N 2.92Å; L49-R52 PolarHBondContact O-N 3.43Å; L49-L53 HydrophobicContact CB-CD1 4.17Å; L49-L53 HydrophobicContact CD2-CD1 3.83Å; L49-L53 WeakPolarHBondContact O-CB 3.28Å; L49-L53 VanDerWaalsContact O-CG 3.29Å; L49-L53 WeakPolarHBondContact O-CG 3.35Å; L49-L53 PolarHBondContact O-N 3.45Å; L49-L132 HydrophobicContact CD2-CD2 3.62Å; L49-A135 HydrophobicContact CD2-CB 3.84Å; L49-A135 HydrophobicContact CG-CB 4.23Å
50	L	96.3	Very high	94.5	Very high	104 Å²	104	54.6 Å²	54.6	55%	0.545	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-46.8	179.5	-73.8	171.3	0	0	0	112	V46 L47 G48 W54	V46-L50 HydrophobicContact CG1-CD1 4.01Å; V46-L50 HydrophobicContact CG1-CG 4.44Å; V46-L50 VanDerWaalsContact O-CG 3.32Å; V46-L50 WeakPolarHBondContact O-CG 3.37Å; V46-L50 PolarHBondContact O-N 3.01Å; L47-L50 PolarHBondContact O-N 2.89Å; G48-L50 PolarHBondContact O-N 3.13Å; L50-W54 VanDerWaalsContact O-CB 3.32Å; L50-W54 WeakPolarHBondContact O-CB 3.34Å; L50-W54 PolarHBondContact O-N 3.34Å
51	T	95	Very high	94.5	Very high	35 Å²	35	51.6 Å²	51.6	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-67	-40.3	-177.9	52.7	0	0	0	0	112.5	L47 G48 L49 L163 Y721	L47-T51 WeakPolarHBondContact O-CG2 3.17Å; L47-T51 PolarHBondContact O-N 2.85Å; L47-T51 PolarHBondContact O-OG1 3.4Å; G48-T51 PolarHBondContact O-N 3.28Å; G48-T51 PolarHBondContact O-OG1 3.39Å; L49-T51 PolarHBondContact O-N 2.92Å; T51-L163 HydrophobicContact CG2-CD1 3.98Å; T51-L163 WeakPolarHBondContact OG1-CD1 3.27Å; T51-Y721 PolarHBondContact O-OH 3.42Å
52	R	96.1	Very high	94.4	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-84.9	-33.5	-177.5	-74.4	78	174.8	117.1	4.9	113.2	G48 L49 W54 L56 A131 G134 A135 M162 L163 S172 R173	G48-R52 WeakPolarHBondContact O-CD 3.4Å; G48-R52 PolarHBondContact O-N 3.33Å; G48-R52 VanDerWaalsContact O-N 3.12Å; L49-R52 PolarHBondContact O-N 3.43Å; R52-W54 VanDerWaalsContact C-N 3.33Å; R52-L56 WeakPolarHBondContact O-CD1 3.37Å; R52-A131 HydrophobicContact CB-CB 4.21Å; R52-A131 WeakPolarHBondContact CB-O 3.28Å; R52-G134 PolarHBondContact NE-O 3.22Å; R52-A135 HydrophobicContact CB-CB 4.3Å; R52-A135 HydrophobicContact CG-CB 4.5Å; R52-M162 PolarHBondContact NH2-O 3.38Å; R52-L163 PolarHBondContact NH1-O 2.96Å; R52-S172 VanDerWaalsContact CG-OG 3.23Å; R52-S172 WeakPolarHBondContact CG-OG 3.43Å; R52-R173 WeakPolarHBondContact O-CG 3.42Å
53	L	95.7	Very high	94.3	Very high	50 Å²	50	45.8 Å²	45.8	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-84.8	-7.7	-179.7	-60.5	174.3	0	0	0	113.3	L49 Q55 L56 L128 A131 L132	L49-L53 HydrophobicContact CB-CD1 4.17Å; L49-L53 HydrophobicContact CD2-CD1 3.83Å; L49-L53 WeakPolarHBondContact O-CB 3.28Å; L49-L53 VanDerWaalsContact O-CG 3.29Å; L49-L53 WeakPolarHBondContact O-CG 3.35Å; L49-L53 PolarHBondContact O-N 3.45Å; L53-Q55 PolarHBondContact O-N 2.88Å; L53-Q55 VanDerWaalsContact O-N 3.11Å; L53-L56 HydrophobicContact CD2-CD2 4.44Å; L53-L128 HydrophobicContact CD2-CD1 3.67Å; L53-A131 HydrophobicContact CD2-CB 3.81Å; L53-L132 HydrophobicContact CD1-CD2 4.25Å; L53-L132 HydrophobicContact CD2-CD2 4.36Å
54	W	93.3	Very high	94.1	Very high	137 Å²	137	43.9 Å²	43.9	52%	0.519	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	118.5	178.2	-173.8	-95.6	0	0	0	111.4	L50 R52 L56 R173 Y721	L50-W54 VanDerWaalsContact O-CB 3.32Å; L50-W54 WeakPolarHBondContact O-CB 3.34Å; L50-W54 PolarHBondContact O-N 3.34Å; R52-W54 VanDerWaalsContact C-N 3.33Å; W54-L56 VanDerWaalsContact C-N 3.29Å; W54-L56 PolarHBondContact O-N 3.08Å; W54-R173 PolarHBondContact O-NE 2.94Å; W54-R173 PolarHBondContact O-NH2 3.29Å; W54-Y721 HydrophobicContact CB-CE1 4.17Å
55	Q	92	Very high	93.8	Very high	96 Å²	96	44.4 Å²	44.4	45%	0.449	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	47.2	173.5	-154.2	-178.1	-16.5	0	0	113.9	L53 S57 Y58 R173	L53-Q55 PolarHBondContact O-N 2.88Å; L53-Q55 VanDerWaalsContact O-N 3.11Å; Q55-S57 PolarHBondContact O-N 3.26Å; Q55-S57 VanDerWaalsContact O-N 3.17Å; Q55-Y58 WeakPolarHBondContact O-CB 3.41Å; Q55-Y58 PolarHBondContact O-N 2.89Å; Q55-R173 PolarHBondContact O-NH2 3.17Å; Q55-R173 VanDerWaalsContact O-NH2 3.15Å
56	L	92.2	Very high	93.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.1	-172.2	-156.4	70.9	0	0	0	114.4	R52 L53 W54 Y58 R127 L128 A131 R173	R52-L56 WeakPolarHBondContact O-CD1 3.37Å; L53-L56 HydrophobicContact CD2-CD2 4.44Å; W54-L56 VanDerWaalsContact C-N 3.29Å; W54-L56 PolarHBondContact O-N 3.08Å; L56-Y58 PolarHBondContact O-N 3.01Å; L56-R127 HydrophobicContact CD1-CB 4.01Å; L56-R127 HydrophobicContact CD2-CB 3.66Å; L56-R127 HydrophobicContact CG-CB 3.54Å; L56-R127 VanDerWaalsContact O-CD 3.26Å; L56-R127 WeakPolarHBondContact O-CD 3.4Å; L56-R127 PolarHBondContact O-NH1 3.08Å; L56-R127 VanDerWaalsContact O-NH1 3.11Å; L56-L128 HydrophobicContact CD2-CB 4.41Å; L56-A131 HydrophobicContact CD1-CB 3.73Å; L56-A131 HydrophobicContact CD2-CB 4.27Å; L56-R173 HydrophobicContact CD1-CB 4.36Å; L56-R173 WeakPolarHBondContact CD1-O 3.41Å
57	S	92.1	Very high	93.3	Very high	48 Å²	48	40.2 Å²	40.2	34%	0.336	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.3	175.7	-50.8	0	0	0	0	113.4	Q55 P59 R60	Q55-S57 PolarHBondContact O-N 3.26Å; Q55-S57 VanDerWaalsContact O-N 3.17Å; S57-P59 CarbonylContact O-C 3.05Å; S57-P59 VanDerWaalsContact O-C 3.23Å; S57-R60 WeakPolarHBondContact O-CG 3.44Å; S57-R60 PolarHBondContact O-N 3.42Å
58	Y	91	Very high	93	Very high	55 Å²	55	43 Å²	43	22%	0.216	20%	0.198	C	C	.	.			trans	-99.9	129.8	177.6	-173.4	-86	0	0	0	110.5	Q55 L56 R173 W582 G722	Q55-Y58 WeakPolarHBondContact O-CB 3.41Å; Q55-Y58 PolarHBondContact O-N 2.89Å; L56-Y58 PolarHBondContact O-N 3.01Å; Y58-R173 PolarHBondContact O-NH2 3.44Å; Y58-W582 HydrophobicContact CE1-CH2 4.43Å; Y58-W582 HydrophobicContact CE1-CZ3 4.48Å; Y58-G722 WeakPolarHBondContact CE1-O 3.39Å; Y58-G722 PolarHBondContact OH-O 3.05Å
59	P	91.3	Very high	92.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	20%	0.2	C	C	.	.	S	Bend	cis	-77.8	145	0.4	31	-34.7	0	0	0	111.6	S57 A61 V63 R127 W582 I591	S57-P59 CarbonylContact O-C 3.05Å; S57-P59 VanDerWaalsContact O-C 3.23Å; P59-A61 PolarHBondContact O-N 3.47Å; P59-V63 HydrophobicContact CG-CG2 3.88Å; P59-R127 PolarHBondContact O-NH1 3.46Å; P59-R127 PolarHBondContact O-NH2 2.87Å; P59-W582 HydrophobicContact CB-CD2 4.04Å; P59-W582 HydrophobicContact CB-CE3 4.29Å; P59-W582 HydrophobicContact CB-CH2 3.8Å; P59-W582 HydrophobicContact CB-CZ2 3.57Å; P59-W582 HydrophobicContact CB-CZ3 4.18Å; P59-W582 HydrophobicContact CG-CD2 4Å; P59-W582 HydrophobicContact CG-CE3 4.25Å; P59-W582 HydrophobicContact CG-CG 4.29Å; P59-W582 HydrophobicContact CG-CZ2 4.43Å; P59-I591 HydrophobicContact CG-CD1 3.76Å
60	R	91.4	Very high	92.6	Very high	136 Å²	136	41 Å²	41	51%	0.513	19%	0.187	S	C	.	.			trans	-80.1	44.9	170.1	-75.8	-168.1	69.7	151.4	4.1	111.5	S57 E116 Y117	S57-R60 WeakPolarHBondContact O-CG 3.44Å; S57-R60 PolarHBondContact O-N 3.42Å; R60-E116 WeakPolarHBondContact O-CA 3.43Å; R60-Y117 VanDerWaalsContact C-CD2 3.48Å; R60-Y117 PolarHBondContact O-N 3.39Å
61	A	91.8	Very high	92.4	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.041	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-140.9	156	177.5	0	0	0	0	0	110.1	P59 V63 A115 Y117 R127	P59-A61 PolarHBondContact O-N 3.47Å; A61-V63 PolarHBondContact O-N 3.47Å; A61-A115 CarbonylContact C-O 3.09Å; A61-A115 WeakPolarHBondContact CA-O 3.3Å; A61-A115 WeakPolarHBondContact CB-O 3.45Å; A61-Y117 VanDerWaalsContact O-CE2 3.22Å; A61-Y117 WeakPolarHBondContact O-CE2 3.26Å; A61-R127 PolarHBondContact O-NH2 3.24Å
62	V	92.4	Very high	92.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-65.7	129.1	177.4	-174.2	0	0	0	0	109.6	E66 V67 F108 W110 G114 A115 Y117	V62-E66 HydrophobicContact CG1-CB 4.07Å; V62-V67 HydrophobicContact CG1-CB 4.25Å; V62-V67 HydrophobicContact CG1-CG2 3.43Å; V62-V67 VanDerWaalsContact CG1-CG2 3.43Å; V62-F108 HydrophobicContact CG2-CE1 3.73Å; V62-F108 HydrophobicContact CG2-CZ 4.05Å; V62-W110 HydrophobicContact CG1-CE3 4.13Å; V62-W110 HydrophobicContact CG1-CZ3 4.29Å; V62-W110 HydrophobicContact CG2-CE3 4.04Å; V62-W110 HydrophobicContact CG2-CZ3 4.06Å; V62-G114 PolarHBondContact O-N 3.49Å; V62-A115 HydrophobicContact CG2-CB 4.23Å; V62-A115 PolarHBondContact N-O 2.9Å; V62-Y117 HydrophobicContact CG2-CD1 4.26Å; V62-Y117 HydrophobicContact CG2-CE1 3.68Å
63	V	92.9	Very high	92.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-102.6	167.2	179.3	-175.9	0	0	0	0	109.9	P59 A61 E66 L174 Y581 W582	P59-V63 HydrophobicContact CG-CG2 3.88Å; A61-V63 PolarHBondContact O-N 3.47Å; V63-E66 HydrophobicContact CB-CG 3.98Å; V63-E66 PolarHBondContact N-OE2 2.98Å; V63-E66 WeakPolarHBondContact O-CB 3.27Å; V63-E66 PolarHBondContact O-N 3.13Å; V63-E66 VanDerWaalsContact O-N 3.11Å; V63-L174 HydrophobicContact CB-CD1 4.45Å; V63-L174 HydrophobicContact CB-CD2 4.21Å; V63-L174 HydrophobicContact CG1-CD1 3.65Å; V63-L174 HydrophobicContact CG1-CD2 4.16Å; V63-L174 HydrophobicContact CG2-CD2 3.89Å; V63-Y581 HydrophobicContact CG1-CD2 4.01Å; V63-Y581 HydrophobicContact CG1-CG 4.12Å; V63-Y581 WeakPolarHBondContact CG1-O 3.49Å; V63-W582 HydrophobicContact CG1-CB 4.16Å; V63-W582 HydrophobicContact CG2-CB 4.12Å; V63-W582 HydrophobicContact CG2-CG 4.45Å
64	F	91	Very high	92.3	Very high	11 Å²	11	36.5 Å²	36.5	5%	0.048	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	138.4	171.2	-168.6	-85.5	0	0	0	111.9	E66 I113 H563 I579 Y581 F662 Y664	F64-E66 PolarHBondContact O-N 3.23Å; F64-I113 HydrophobicContact CB-CD1 4.26Å; F64-I113 HydrophobicContact CD2-CD1 3.77Å; F64-I113 HydrophobicContact CG-CD1 4.42Å; F64-H563 AromaticContact CE2-CE1 3.61Å; F64-H563 AromaticContact CE2-NE2 3.9Å; F64-H563 AromaticContact CZ-CE1 3.87Å; F64-I579 HydrophobicContact CD1-CG2 4.29Å; F64-I579 HydrophobicContact CD2-CG2 4.32Å; F64-I579 HydrophobicContact CE1-CG2 4.21Å; F64-I579 HydrophobicContact CE2-CG2 4.26Å; F64-I579 HydrophobicContact CG-CG2 4.35Å; F64-I579 HydrophobicContact CZ-CG2 4.2Å; F64-Y581 HydrophobicContact CB-CD1 3.73Å; F64-Y581 HydrophobicContact CB-CE1 4.14Å; F64-Y581 HydrophobicContact CB-CG 4.01Å; F64-Y581 HydrophobicContact CD1-CD1 4.21Å; F64-Y581 AromaticContact CD1-CE1 3.8Å; F64-Y581 HydrophobicContact CD1-CE1 3.8Å; F64-Y581 HydrophobicContact CG-CD1 4.07Å; F64-Y581 HydrophobicContact CG-CE1 4.14Å; F64-Y581 PolarHBondContact N-O 2.98Å; F64-F662 HydrophobicContact CZ-CE1 4.39Å; F64-Y664 HydrophobicContact CE1-CE1 4.16Å
65	D	89.6	Confident	92.4	Very high	14 Å²	14	31.1 Å²	31.1	8%	0.075	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-20	-170.7	-69.6	-12.7	0	0	0	117.4	V67 Y68 Y69 L176 Y664	D65-V67 PolarHBondContact O-N 2.9Å; D65-V67 VanDerWaalsContact O-N 3.16Å; D65-Y68 PolarHBondContact O-N 2.72Å; D65-Y68 VanDerWaalsContact O-N 3.11Å; D65-Y69 HydrophobicContact CB-CD2 4.28Å; D65-Y69 HydrophobicContact CB-CE2 4.01Å; D65-Y69 WeakPolarHBondContact O-CD2 3.13Å; D65-Y69 PolarHBondContact O-N 2.94Å; D65-Y69 VanDerWaalsContact O-N 3.16Å; D65-L176 HydrophobicContact CB-CD2 3.64Å; D65-Y664 WeakPolarHBondContact OD2-CE1 3.43Å; D65-Y664 PolarHBondContact OD2-OH 3.06Å
66	E	93.4	Very high	92.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.8	-25	171.8	-64.4	-165.3	154.4	0	0	111.8	V62 V63 F64 G70 W110 Y117 R127 M175	V62-E66 HydrophobicContact CG1-CB 4.07Å; V63-E66 HydrophobicContact CB-CG 3.98Å; V63-E66 PolarHBondContact N-OE2 2.98Å; V63-E66 WeakPolarHBondContact O-CB 3.27Å; V63-E66 PolarHBondContact O-N 3.13Å; V63-E66 VanDerWaalsContact O-N 3.11Å; F64-E66 PolarHBondContact O-N 3.23Å; E66-G70 WeakPolarHBondContact O-CA 3.45Å; E66-G70 PolarHBondContact O-N 3.41Å; E66-W110 WeakPolarHBondContact O-CZ3 3.19Å; E66-Y117 PolarHBondContact OE2-OH 2.67Å; E66-R127 IonicContact OE1-CZ 2.71Å; E66-R127 IonicContact OE1-NE 3.96Å; E66-R127 PolarHBondContact OE1-NE 3.35Å; E66-R127 IonicContact OE1-NH2 3.43Å; E66-R127 PolarHBondContact OE1-NH2 3.3Å; E66-R127 VanDerWaalsContact OE1-NH2 3.16Å; E66-R127 IonicContact OE2-CZ 2.67Å; E66-R127 IonicContact OE2-NE 3.55Å; E66-R127 IonicContact OE2-NH2 3.97Å; E66-R127 PolarHBondContact OE2-NH2 3.03Å; E66-M175 HydrophobicContact CB-CE 3.96Å; E66-M175 HydrophobicContact CG-CB 3.98Å; E66-M175 HydrophobicContact CG-CE 4.4Å; E66-M175 WeakPolarHBondContact O-CE 3.47Å; E66-M175 PolarHBondContact OE1-N 3.31Å
67	V	91.5	Very high	92.7	Very high	18 Å²	18	29.2 Å²	29.2	11%	0.109	13%	0.131	C	C	.	.	H	α-helix	trans	-57.3	-50.5	173.4	-175.1	0	0	0	0	110.6	V62 D65 Q71 W110 I113	V62-V67 HydrophobicContact CG1-CB 4.25Å; V62-V67 HydrophobicContact CG1-CG2 3.43Å; V62-V67 VanDerWaalsContact CG1-CG2 3.43Å; D65-V67 PolarHBondContact O-N 2.9Å; D65-V67 VanDerWaalsContact O-N 3.16Å; V67-Q71 WeakPolarHBondContact O-CB 3.21Å; V67-Q71 PolarHBondContact O-N 3.19Å; V67-Q71 VanDerWaalsContact O-N 3.12Å; V67-W110 HydrophobicContact CG1-CB 4.09Å; V67-W110 WeakPolarHBondContact CG1-O 3.43Å; V67-W110 WeakPolarHBondContact O-CB 3.49Å; V67-I113 HydrophobicContact CG2-CG1 3.9Å
68	Y	90.2	Very high	92.8	Very high	137 Å²	137	30.8 Å²	30.8	54%	0.537	13%	0.132	S	C	.	.	H	α-helix	trans	-74.2	-51	-176.1	-59.1	-65.8	0	0	0	111.4	D65 G70 Q71 Y72	D65-Y68 PolarHBondContact O-N 2.72Å; D65-Y68 VanDerWaalsContact O-N 3.11Å; Y68-G70 PolarHBondContact O-N 3.36Å; Y68-Q71 WeakPolarHBondContact O-CB 3.27Å; Y68-Q71 PolarHBondContact O-N 3.14Å; Y68-Q71 VanDerWaalsContact O-N 3.09Å; Y68-Y72 WeakPolarHBondContact O-CD2 3.27Å; Y68-Y72 PolarHBondContact O-N 2.94Å
69	Y	92.7	Very high	93	Very high	10 Å²	10	34 Å²	34	4%	0.039	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-35.3	179	-64	-51.3	0	0	0	111.9	D65 Y72 I73 H92 L95 M175 L176 L177 K226	D65-Y69 HydrophobicContact CB-CD2 4.28Å; D65-Y69 HydrophobicContact CB-CE2 4.01Å; D65-Y69 WeakPolarHBondContact O-CD2 3.13Å; D65-Y69 PolarHBondContact O-N 2.94Å; D65-Y69 VanDerWaalsContact O-N 3.16Å; Y69-Y72 HydrophobicContact CD1-CD2 4.18Å; Y69-Y72 PolarHBondContact O-N 3.32Å; Y69-I73 WeakPolarHBondContact O-CD1 3.5Å; Y69-I73 VanDerWaalsContact O-CG1 3.23Å; Y69-I73 WeakPolarHBondContact O-CG1 3.34Å; Y69-I73 PolarHBondContact O-N 3.01Å; Y69-H92 AromaticContact CD1-CD2 3.61Å; Y69-H92 AromaticContact CD1-NE2 3.5Å; Y69-H92 AromaticContact CE1-CD2 3.98Å; Y69-H92 AromaticContact CE1-NE2 3.42Å; Y69-H92 WeakPolarHBondContact CE1-NE2 3.26Å; Y69-L95 HydrophobicContact CG-CD1 4.27Å; Y69-M175 WeakPolarHBondContact CD2-O 3.46Å; Y69-L176 HydrophobicContact CD2-CD2 3.91Å; Y69-L176 HydrophobicContact CE2-CD2 3.78Å; Y69-L177 HydrophobicContact CD1-CD1 4.1Å; Y69-L177 HydrophobicContact CD1-CG 4.23Å; Y69-L177 HydrophobicContact CE1-CD1 3.35Å; Y69-L177 HydrophobicContact CE1-CG 3.67Å; Y69-L177 HydrophobicContact CE2-CG 4.36Å; Y69-K226 WeakPolarHBondContact OH-CE 3.39Å; Y69-K226 PolarHBondContact OH-NZ 2.99Å
70	G	92.7	Very high	93.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-43.8	174	0	0	0	0	0	112.2	E66 Y68 Y72 I73 S74 W110 M175	E66-G70 WeakPolarHBondContact O-CA 3.45Å; E66-G70 PolarHBondContact O-N 3.41Å; Y68-G70 PolarHBondContact O-N 3.36Å; G70-Y72 VanDerWaalsContact C-N 3.32Å; G70-Y72 PolarHBondContact O-N 3.08Å; G70-I73 PolarHBondContact O-N 3.29Å; G70-S74 PolarHBondContact O-N 3.11Å; G70-W110 PolarHBondContact O-NE1 3.49Å; G70-M175 VanDerWaalsContact CA-CE 3.43Å; G70-M175 VanDerWaalsContact N-CE 3.26Å
71	Q	93.1	Very high	93.2	Very high	69 Å²	69	28.7 Å²	28.7	32%	0.322	13%	0.126	S	C	.	.	H	α-helix	trans	-60.2	-42.5	175.1	-169.2	178.3	0.9	0	0	111.6	V67 Y68 S74 F75 W110	V67-Q71 WeakPolarHBondContact O-CB 3.21Å; V67-Q71 PolarHBondContact O-N 3.19Å; V67-Q71 VanDerWaalsContact O-N 3.12Å; Y68-Q71 WeakPolarHBondContact O-CB 3.27Å; Y68-Q71 PolarHBondContact O-N 3.14Å; Y68-Q71 VanDerWaalsContact O-N 3.09Å; Q71-S74 WeakPolarHBondContact O-CB 3.32Å; Q71-S74 PolarHBondContact O-N 2.9Å; Q71-F75 HydrophobicContact CG-CD2 4.36Å; Q71-F75 HydrophobicContact CG-CE1 4.44Å; Q71-F75 HydrophobicContact CG-CE2 3.65Å; Q71-F75 HydrophobicContact CG-CZ 3.68Å; Q71-F75 WeakPolarHBondContact O-CD2 3.22Å; Q71-F75 WeakPolarHBondContact O-CG 3.25Å; Q71-F75 PolarHBondContact O-N 3.47Å; Q71-W110 HydrophobicContact CB-CB 4.37Å; Q71-W110 HydrophobicContact CB-CG 4.34Å
72	Y	94.1	Very high	93.3	Very high	19 Å²	19	28.6 Å²	28.6	8%	0.075	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-41.1	175.8	-58.9	-27.2	0	0	0	112.7	Y68 Y69 G70 S74 F75 Y76 F82 D84 H92	Y68-Y72 WeakPolarHBondContact O-CD2 3.27Å; Y68-Y72 PolarHBondContact O-N 2.94Å; Y69-Y72 HydrophobicContact CD1-CD2 4.18Å; Y69-Y72 PolarHBondContact O-N 3.32Å; G70-Y72 VanDerWaalsContact C-N 3.32Å; G70-Y72 PolarHBondContact O-N 3.08Å; Y72-S74 VanDerWaalsContact C-N 3.33Å; Y72-S74 PolarHBondContact O-N 3.14Å; Y72-F75 HydrophobicContact CD1-CD2 4.13Å; Y72-F75 HydrophobicContact CD1-CE2 4.36Å; Y72-F75 WeakPolarHBondContact O-CB 3.29Å; Y72-F75 PolarHBondContact O-N 2.73Å; Y72-F75 VanDerWaalsContact O-N 3.12Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.42Å; Y72-Y76 PolarHBondContact O-N 3.03Å; Y72-F82 AromaticContact CD1-CD2 3.56Å; Y72-F82 HydrophobicContact CD1-CD2 3.56Å; Y72-F82 AromaticContact CD1-CE2 3.57Å; Y72-F82 HydrophobicContact CD1-CE2 3.57Å; Y72-F82 HydrophobicContact CD1-CG 4.25Å; Y72-F82 HydrophobicContact CD1-CZ 4.25Å; Y72-F82 HydrophobicContact CD2-CE2 4.3Å; Y72-F82 AromaticContact CE1-CD2 3.84Å; Y72-F82 HydrophobicContact CE1-CD2 3.84Å; Y72-F82 HydrophobicContact CE1-CE2 4.08Å; Y72-F82 HydrophobicContact CG-CD2 4.18Å; Y72-F82 AromaticContact CG-CE2 3.7Å; Y72-F82 HydrophobicContact CG-CE2 3.7Å; Y72-F82 HydrophobicContact CG-CZ 4.11Å; Y72-D84 HydrophobicContact CE1-CB 4.39Å; Y72-D84 HydrophobicContact CE2-CB 3.99Å; Y72-D84 WeakPolarHBondContact CE2-OD1 3.34Å; Y72-D84 PolarHBondContact OH-OD1 2.78Å; Y72-H92 AromaticContact CD2-CD2 3.66Å; Y72-H92 AromaticContact CD2-NE2 3.65Å; Y72-H92 AromaticContact CE2-NE2 3.96Å
73	I	94.7	Very high	93.1	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-61.6	-43.8	174.4	-67	161.3	0	0	0	110.6	Y69 G70 F75 Y76 M77 L95 A96 F104 L126 M175	Y69-I73 WeakPolarHBondContact O-CD1 3.5Å; Y69-I73 VanDerWaalsContact O-CG1 3.23Å; Y69-I73 WeakPolarHBondContact O-CG1 3.34Å; Y69-I73 PolarHBondContact O-N 3.01Å; G70-I73 PolarHBondContact O-N 3.29Å; I73-F75 VanDerWaalsContact C-N 3.27Å; I73-F75 PolarHBondContact O-N 2.92Å; I73-Y76 PolarHBondContact O-N 3.28Å; I73-M77 HydrophobicContact CG2-CE 4.44Å; I73-M77 WeakPolarHBondContact O-CG 3.43Å; I73-M77 PolarHBondContact O-N 3.32Å; I73-L95 HydrophobicContact CD1-CB 3.67Å; I73-L95 HydrophobicContact CD1-CD1 4.46Å; I73-L95 HydrophobicContact CG1-CB 3.99Å; I73-A96 HydrophobicContact CG1-CB 4.46Å; I73-F104 HydrophobicContact CG2-CD1 3.83Å; I73-F104 HydrophobicContact CG2-CE1 3.98Å; I73-L126 HydrophobicContact CD1-CD2 3.98Å; I73-L126 HydrophobicContact CG2-CD2 4.27Å; I73-M175 HydrophobicContact CD1-CE 4Å; I73-M175 HydrophobicContact CD1-CG 4.11Å; I73-M175 HydrophobicContact CD1-SD 3.27Å; I73-M175 WeakPolarHBondContact CD1-SD 3.44Å
74	S	94.9	Very high	92.8	Very high	6 Å²	6	29.6 Å²	29.6	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-57.5	-39.4	173.4	-80.6	0	0	0	0	112.1	G70 Q71 Y72 M77 K78 G106 W110	G70-S74 PolarHBondContact O-N 3.11Å; Q71-S74 WeakPolarHBondContact O-CB 3.32Å; Q71-S74 PolarHBondContact O-N 2.9Å; Y72-S74 VanDerWaalsContact C-N 3.33Å; Y72-S74 PolarHBondContact O-N 3.14Å; S74-M77 PolarHBondContact O-N 3.39Å; S74-K78 WeakPolarHBondContact O-CB 3.42Å; S74-K78 WeakPolarHBondContact O-CG 3.49Å; S74-K78 PolarHBondContact O-N 3.23Å; S74-G106 WeakPolarHBondContact CB-O 3.39Å; S74-G106 PolarHBondContact OG-O 3.31Å; S74-W110 PolarHBondContact OG-NE1 2.89Å
75	F	95.2	Very high	92.3	Very high	24 Å²	24	32.4 Å²	32.4	11%	0.105	15%	0.146	C	C	.	.	H	α-helix	trans	-66.6	-40.4	175.2	-65.2	-37.4	0	0	0	113	Q71 Y72 I73 K78 R79 V80 F82 P293	Q71-F75 HydrophobicContact CG-CD2 4.36Å; Q71-F75 HydrophobicContact CG-CE1 4.44Å; Q71-F75 HydrophobicContact CG-CE2 3.65Å; Q71-F75 HydrophobicContact CG-CZ 3.68Å; Q71-F75 WeakPolarHBondContact O-CD2 3.22Å; Q71-F75 WeakPolarHBondContact O-CG 3.25Å; Q71-F75 PolarHBondContact O-N 3.47Å; Y72-F75 HydrophobicContact CD1-CD2 4.13Å; Y72-F75 HydrophobicContact CD1-CE2 4.36Å; Y72-F75 WeakPolarHBondContact O-CB 3.29Å; Y72-F75 PolarHBondContact O-N 2.73Å; Y72-F75 VanDerWaalsContact O-N 3.12Å; I73-F75 VanDerWaalsContact C-N 3.27Å; I73-F75 PolarHBondContact O-N 2.92Å; F75-K78 CarbonylContact O-C 3.48Å; F75-K78 PolarHBondContact O-N 3.32Å; F75-R79 WeakPolarHBondContact O-CA 3.46Å; F75-R79 PolarHBondContact O-N 2.9Å; F75-V80 HydrophobicContact CD1-CB 4.23Å; F75-V80 HydrophobicContact CD1-CG1 4.06Å; F75-V80 PolarHBondContact O-N 3.42Å; F75-F82 HydrophobicContact CB-CD1 3.5Å; F75-F82 VanDerWaalsContact CB-CD1 3.5Å; F75-F82 HydrophobicContact CB-CE1 4Å; F75-F82 HydrophobicContact CB-CG 4.29Å; F75-F82 HydrophobicContact CD2-CB 3.52Å; F75-F82 AromaticContact CD2-CD1 3.73Å; F75-F82 HydrophobicContact CD2-CD1 3.73Å; F75-F82 HydrophobicContact CD2-CD2 4.41Å; F75-F82 AromaticContact CD2-CG 3.64Å; F75-F82 HydrophobicContact CD2-CG 3.64Å; F75-F82 HydrophobicContact CE2-CB 3.91Å; F75-F82 HydrophobicContact CE2-CG 4.39Å; F75-F82 HydrophobicContact CG-CB 4.25Å; F75-F82 HydrophobicContact CG-CD1 4.03Å; F75-F82 HydrophobicContact CG-CG 4.35Å; F75-P293 HydrophobicContact CE1-CG 4.04Å; F75-P293 HydrophobicContact CE2-CG 4.2Å; F75-P293 HydrophobicContact CZ-CG 3.58Å
76	Y	96	Very high	91.8	Very high	15 Å²	15	33 Å²	33	6%	0.059	15%	0.15	C	C	.	.	H	α-helix	trans	-61.4	-45.2	172.4	-79.6	-72.9	0	0	0	112.5	Y72 I73 K78 R79 F82 P89 H92 M93 A96 H284 L287 L288	Y72-Y76 WeakPolarHBondContact O-CD2 3.42Å; Y72-Y76 PolarHBondContact O-N 3.03Å; I73-Y76 PolarHBondContact O-N 3.28Å; Y76-K78 VanDerWaalsContact C-N 3.28Å; Y76-K78 PolarHBondContact O-N 2.9Å; Y76-R79 PolarHBondContact O-N 3.15Å; Y76-R79 VanDerWaalsContact O-N 3.14Å; Y76-F82 AromaticContact CD2-CE1 3.96Å; Y76-F82 HydrophobicContact CD2-CE1 3.96Å; Y76-F82 HydrophobicContact CD2-CZ 4.21Å; Y76-F82 AromaticContact CE2-CE1 3.61Å; Y76-F82 HydrophobicContact CE2-CE1 3.61Å; Y76-F82 AromaticContact CE2-CZ 3.5Å; Y76-F82 HydrophobicContact CE2-CZ 3.5Å; Y76-F82 AromaticContact CZ-CE1 3.96Å; Y76-F82 AromaticContact CZ-CZ 3.92Å; Y76-P89 WeakPolarHBondContact OH-CB 3.45Å; Y76-H92 HydrophobicContact CE2-CB 3.55Å; Y76-M93 HydrophobicContact CE1-CG 3.69Å; Y76-M93 WeakPolarHBondContact OH-CG 3.35Å; Y76-A96 HydrophobicContact CD2-CB 3.83Å; Y76-A96 HydrophobicContact CG-CB 3.87Å; Y76-H284 AromaticContact CE1-ND1 3.71Å; Y76-H284 AromaticContact CZ-ND1 3.55Å; Y76-H284 PolarHBondContact OH-CE1 3.06Å; Y76-H284 PolarHBondContact OH-ND1 3.43Å; Y76-L287 HydrophobicContact CD1-CD1 4.46Å; Y76-L288 HydrophobicContact CD1-CD2 3.65Å; Y76-L288 HydrophobicContact CD1-CG 4.2Å; Y76-L288 HydrophobicContact CE1-CD1 4.19Å; Y76-L288 HydrophobicContact CE1-CD2 4.03Å; Y76-L288 HydrophobicContact CE1-CG 4.08Å; Y76-L288 HydrophobicContact CG-CD2 4.23Å
77	M	94.9	Very high	91.4	Very high	43 Å²	43	33 Å²	33	21%	0.212	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-39	177.8	-65.6	-50.3	114.6	0	0	111.5	I73 S74 R79 A96 W100 F104	I73-M77 HydrophobicContact CG2-CE 4.44Å; I73-M77 WeakPolarHBondContact O-CG 3.43Å; I73-M77 PolarHBondContact O-N 3.32Å; S74-M77 PolarHBondContact O-N 3.39Å; M77-R79 VanDerWaalsContact C-N 3.31Å; M77-A96 HydrophobicContact CE-CB 3.81Å; M77-A96 WeakPolarHBondContact CE-O 3.26Å; M77-W100 HydrophobicContact CE-CB 4.02Å; M77-W100 HydrophobicContact SD-CB 4.12Å; M77-F104 HydrophobicContact CG-CD1 3.9Å; M77-F104 HydrophobicContact CG-CE1 4.49Å
78	K	94.2	Very high	91.6	Very high	81 Å²	81	32.1 Å²	32.1	35%	0.352	15%	0.146	S	C	.	.	H	α-helix	trans	-81.7	-8.2	178.3	-68.5	176.8	175.8	177	0	114.1	S74 F75 Y76 V80 G106 N107	S74-K78 WeakPolarHBondContact O-CB 3.42Å; S74-K78 WeakPolarHBondContact O-CG 3.49Å; S74-K78 PolarHBondContact O-N 3.23Å; F75-K78 CarbonylContact O-C 3.48Å; F75-K78 PolarHBondContact O-N 3.32Å; Y76-K78 VanDerWaalsContact C-N 3.28Å; Y76-K78 PolarHBondContact O-N 2.9Å; K78-V80 VanDerWaalsContact C-N 3.27Å; K78-V80 HydrophobicContact CB-CB 4.42Å; K78-V80 HydrophobicContact CB-CG2 3.77Å; K78-V80 PolarHBondContact O-N 2.9Å; K78-G106 VanDerWaalsContact CE-O 3.24Å; K78-G106 WeakPolarHBondContact CE-O 3.42Å; K78-G106 PolarHBondContact NZ-O 2.89Å; K78-N107 WeakPolarHBondContact CE-OD1 3.43Å; K78-N107 PolarHBondContact NZ-OD1 3.48Å
79	R	95.1	Very high	91.8	Very high	122 Å²	122	25.8 Å²	25.8	46%	0.46	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	34.3	-175.5	-54	-175.4	177.1	-165.7	-7.6	113.6	F75 Y76 M77 L287 Y289 R290	F75-R79 WeakPolarHBondContact O-CA 3.46Å; F75-R79 PolarHBondContact O-N 2.9Å; Y76-R79 PolarHBondContact O-N 3.15Å; Y76-R79 VanDerWaalsContact O-N 3.14Å; M77-R79 VanDerWaalsContact C-N 3.31Å; R79-L287 WeakPolarHBondContact CB-O 3.44Å; R79-Y289 HydrophobicContact CB-CE1 4.11Å; R79-Y289 VanDerWaalsContact CD-OH 3.29Å; R79-Y289 WeakPolarHBondContact CD-OH 3.41Å; R79-Y289 HydrophobicContact CG-CE1 4.34Å; R79-Y289 PolarHBondContact NH1-OH 3.14Å; R79-R290 WeakPolarHBondContact O-CB 3.47Å; R79-R290 WeakPolarHBondContact O-CG 3.27Å; R79-R290 PolarHBondContact O-N 2.91Å
80	V	94	Very high	92	Very high	26 Å²	26	26.9 Å²	26.9	16%	0.158	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-99.1	128.3	-174.7	170.4	0	0	0	0	109.7	F75 K78 L288 R290	F75-V80 HydrophobicContact CD1-CB 4.23Å; F75-V80 HydrophobicContact CD1-CG1 4.06Å; F75-V80 PolarHBondContact O-N 3.42Å; K78-V80 VanDerWaalsContact C-N 3.27Å; K78-V80 HydrophobicContact CB-CB 4.42Å; K78-V80 HydrophobicContact CB-CG2 3.77Å; K78-V80 PolarHBondContact O-N 2.9Å; V80-L288 WeakPolarHBondContact O-CD2 3.41Å; V80-R290 HydrophobicContact CG2-CB 4.48Å
81	F	93.9	Very high	92.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.			trans	-63	134.9	178.1	179.1	-99.9	0	0	0	111.7	L285 R290 G292 D295 M298 F302 L306 L549	F81-L285 HydrophobicContact CE2-CD2 4.2Å; F81-R290 VanDerWaalsContact CB-O 3.25Å; F81-R290 WeakPolarHBondContact CB-O 3.36Å; F81-R290 PolarHBondContact N-O 3.36Å; F81-G292 WeakPolarHBondContact O-CA 3.38Å; F81-D295 HydrophobicContact CD1-CB 4.08Å; F81-M298 HydrophobicContact CE1-CG 3.77Å; F81-M298 HydrophobicContact CZ-CG 4.02Å; F81-M298 HydrophobicContact CZ-SD 4.31Å; F81-F302 HydrophobicContact CD1-CE1 4.36Å; F81-F302 HydrophobicContact CD2-CE1 4.02Å; F81-F302 HydrophobicContact CD2-CZ 4.27Å; F81-F302 AromaticContact CE1-CE1 3.96Å; F81-F302 HydrophobicContact CE1-CE1 3.96Å; F81-F302 AromaticContact CE2-CE1 3.59Å; F81-F302 HydrophobicContact CE2-CE1 3.59Å; F81-F302 AromaticContact CE2-CZ 3.57Å; F81-F302 HydrophobicContact CE2-CZ 3.57Å; F81-F302 HydrophobicContact CG-CE1 4.38Å; F81-F302 AromaticContact CZ-CE1 3.55Å; F81-F302 HydrophobicContact CZ-CE1 3.55Å; F81-F302 AromaticContact CZ-CZ 3.75Å; F81-F302 HydrophobicContact CZ-CZ 3.75Å; F81-L306 HydrophobicContact CB-CD1 3.75Å; F81-L306 HydrophobicContact CB-CD2 4.12Å; F81-L306 HydrophobicContact CD1-CD1 4Å; F81-L306 HydrophobicContact CG-CD1 3.88Å; F81-L306 HydrophobicContact CG-CD2 4.38Å; F81-L549 HydrophobicContact CE2-CD1 4.27Å; F81-L549 HydrophobicContact CZ-CD1 4.04Å
82	F	93	Very high	92.2	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.013	11%	0.112	C	C	.	.			trans	-141.3	153.7	171.4	70.7	-86.6	0	0	0	109.1	Y72 F75 Y76 D84 L288	Y72-F82 AromaticContact CD1-CD2 3.56Å; Y72-F82 HydrophobicContact CD1-CD2 3.56Å; Y72-F82 AromaticContact CD1-CE2 3.57Å; Y72-F82 HydrophobicContact CD1-CE2 3.57Å; Y72-F82 HydrophobicContact CD1-CG 4.25Å; Y72-F82 HydrophobicContact CD1-CZ 4.25Å; Y72-F82 HydrophobicContact CD2-CE2 4.3Å; Y72-F82 AromaticContact CE1-CD2 3.84Å; Y72-F82 HydrophobicContact CE1-CD2 3.84Å; Y72-F82 HydrophobicContact CE1-CE2 4.08Å; Y72-F82 HydrophobicContact CG-CD2 4.18Å; Y72-F82 AromaticContact CG-CE2 3.7Å; Y72-F82 HydrophobicContact CG-CE2 3.7Å; Y72-F82 HydrophobicContact CG-CZ 4.11Å; F75-F82 HydrophobicContact CB-CD1 3.5Å; F75-F82 VanDerWaalsContact CB-CD1 3.5Å; F75-F82 HydrophobicContact CB-CE1 4Å; F75-F82 HydrophobicContact CB-CG 4.29Å; F75-F82 HydrophobicContact CD2-CB 3.52Å; F75-F82 AromaticContact CD2-CD1 3.73Å; F75-F82 HydrophobicContact CD2-CD1 3.73Å; F75-F82 HydrophobicContact CD2-CD2 4.41Å; F75-F82 AromaticContact CD2-CG 3.64Å; F75-F82 HydrophobicContact CD2-CG 3.64Å; F75-F82 HydrophobicContact CE2-CB 3.91Å; F75-F82 HydrophobicContact CE2-CG 4.39Å; F75-F82 HydrophobicContact CG-CB 4.25Å; F75-F82 HydrophobicContact CG-CD1 4.03Å; F75-F82 HydrophobicContact CG-CG 4.35Å; Y76-F82 AromaticContact CD2-CE1 3.96Å; Y76-F82 HydrophobicContact CD2-CE1 3.96Å; Y76-F82 HydrophobicContact CD2-CZ 4.21Å; Y76-F82 AromaticContact CE2-CE1 3.61Å; Y76-F82 HydrophobicContact CE2-CE1 3.61Å; Y76-F82 AromaticContact CE2-CZ 3.5Å; Y76-F82 HydrophobicContact CE2-CZ 3.5Å; Y76-F82 AromaticContact CZ-CE1 3.96Å; Y76-F82 AromaticContact CZ-CZ 3.92Å; F82-D84 HydrophobicContact CD2-CB 4.21Å; F82-D84 HydrophobicContact CE2-CB 3.96Å; F82-L288 HydrophobicContact CD1-CD1 3.57Å; F82-L288 HydrophobicContact CE1-CD1 3.48Å; F82-L288 VanDerWaalsContact CE1-CD1 3.48Å; F82-L288 HydrophobicContact CE1-CD2 4.47Å; F82-L288 HydrophobicContact CZ-CD1 4.41Å
83	L	89.2	Confident	92.3	Very high	13 Å²	13	24 Å²	24	7%	0.068	11%	0.114	C	C	.	.			trans	-106.1	134	169.1	-174.2	68.4	0	0	0	108.4	H294 I297 M298 L549 K552 M553 L556	L83-H294 HydrophobicContact CB-CB 3.74Å; L83-H294 PolarHBondContact N-ND1 3.42Å; L83-H294 PolarHBondContact O-ND1 3.46Å; L83-I297 HydrophobicContact CD2-CD1 4.32Å; L83-M298 HydrophobicContact CB-CE 4.32Å; L83-M298 HydrophobicContact CD1-CE 3.8Å; L83-M298 HydrophobicContact CD2-CE 3.38Å; L83-M298 HydrophobicContact CG-CE 4.05Å; L83-L549 HydrophobicContact CD1-CD1 3.36Å; L83-K552 HydrophobicContact CD1-CB 4.46Å; L83-K552 HydrophobicContact CD2-CB 4.3Å; L83-M553 HydrophobicContact CD1-CG 3.69Å; L83-L556 HydrophobicContact CD2-CD1 3.26Å; L83-L556 HydrophobicContact CD2-CG 4.48Å
84	D	85.5	Confident	92.3	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.053	12%	0.12	C	C	.	.			trans	-123.4	129.2	172	174.2	45.4	0	0	0	109	Y72 F82 S86 H92 M553	Y72-D84 HydrophobicContact CE1-CB 4.39Å; Y72-D84 HydrophobicContact CE2-CB 3.99Å; Y72-D84 WeakPolarHBondContact CE2-OD1 3.34Å; Y72-D84 PolarHBondContact OH-OD1 2.78Å; F82-D84 HydrophobicContact CD2-CB 4.21Å; F82-D84 HydrophobicContact CE2-CB 3.96Å; D84-S86 WeakPolarHBondContact OD1-CB 3.27Å; D84-S86 PolarHBondContact OD1-N 2.95Å; D84-S86 VanDerWaalsContact OD1-N 3.1Å; D84-S86 PolarHBondContact OD1-OG 2.74Å; D84-S86 WeakPolarHBondContact OD2-CB 3.49Å; D84-S86 PolarHBondContact OD2-N 3.19Å; D84-S86 PolarHBondContact OD2-OG 2.87Å; D84-H92 IonicContact OD2-CE1 3.26Å; D84-H92 PolarHBondContact OD2-CE1 3.14Å; D84-H92 IonicContact OD2-ND1 3.45Å; D84-H92 IonicContact OD2-NE2 2.72Å; D84-M553 WeakPolarHBondContact O-CE 3.44Å
85	D	81.2	Confident	92.4	Very high	70 Å²	70	25 Å²	25	37%	0.374	12%	0.119	S	C	.	.	S	Bend	trans	-86.3	-13.1	177.2	61.9	-22.6	0	0	0	112.1	G87 N558	D85-G87 VanDerWaalsContact C-N 3.34Å; D85-G87 PolarHBondContact O-N 2.9Å; D85-N558 PolarHBondContact OD2-ND2 3.49Å
86	S	78.3	Confident	92.4	Very high	25 Å²	25	24.1 Å²	24.1	18%	0.175	12%	0.116	C	C	.	.	S	Bend	trans	-69.4	-29.5	-176.5	91.9	0	0	0	0	113.6	D84	D84-S86 WeakPolarHBondContact OD1-CB 3.27Å; D84-S86 PolarHBondContact OD1-N 2.95Å; D84-S86 VanDerWaalsContact OD1-N 3.1Å; D84-S86 PolarHBondContact OD1-OG 2.74Å; D84-S86 WeakPolarHBondContact OD2-CB 3.49Å; D84-S86 PolarHBondContact OD2-N 3.19Å; D84-S86 PolarHBondContact OD2-OG 2.87Å
87	G	86.1	Confident	92.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	13%	0.134	C	C	.	.			trans	159.3	-170.6	175	0	0	0	0	0	115.2	D85 M553	D85-G87 VanDerWaalsContact C-N 3.34Å; D85-G87 PolarHBondContact O-N 2.9Å; G87-M553 VanDerWaalsContact C-CE 3.46Å; G87-M553 WeakPolarHBondContact O-CE 3.44Å
88	P	94.5	Very high	92.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.			trans	-65.9	162.2	-176.3	-23.5	38.2	0	0	0	113.8	F90 V223 G224 Y227 Y277 F281	P88-F90 PolarHBondContact O-N 2.9Å; P88-V223 VanDerWaalsContact CG-O 3.31Å; P88-V223 WeakPolarHBondContact CG-O 3.35Å; P88-G224 CarbonylContact C-O 3.55Å; P88-G224 WeakPolarHBondContact CB-O 3.45Å; P88-G224 VanDerWaalsContact O-O 3.12Å; P88-Y227 HydrophobicContact CG-CD1 3.74Å; P88-Y227 HydrophobicContact CG-CD2 4.44Å; P88-Y227 HydrophobicContact CG-CE1 3.44Å; P88-Y227 VanDerWaalsContact CG-CE1 3.44Å; P88-Y227 HydrophobicContact CG-CE2 4.2Å; P88-Y227 HydrophobicContact CG-CG 4.22Å; P88-Y277 HydrophobicContact CB-CE2 3.94Å; P88-Y277 HydrophobicContact CG-CE2 3.87Å; P88-F281 HydrophobicContact CB-CE2 3.91Å; P88-F281 HydrophobicContact CB-CZ 3.83Å
89	P	95	Very high	92.2	Very high	4 Å²	4	22 Å²	22	3%	0.026	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.9	-162.6	30.6	-36.6	0	0	0	115	Y76 G91 H92 M93 F281 H284	Y76-P89 WeakPolarHBondContact OH-CB 3.45Å; P89-G91 VanDerWaalsContact C-N 3.31Å; P89-G91 PolarHBondContact O-N 3.49Å; P89-H92 PolarHBondContact O-N 2.67Å; P89-H92 VanDerWaalsContact O-N 3.12Å; P89-M93 HydrophobicContact CB-CE 4.4Å; P89-M93 HydrophobicContact CG-CE 4.34Å; P89-M93 WeakPolarHBondContact O-CG 3.28Å; P89-M93 PolarHBondContact O-N 3.43Å; P89-F281 VanDerWaalsContact CD-CE1 3.47Å; P89-F281 HydrophobicContact CG-CD1 4.06Å; P89-F281 HydrophobicContact CG-CD2 4.47Å; P89-F281 HydrophobicContact CG-CE1 3.9Å; P89-F281 HydrophobicContact CG-CE2 4.3Å; P89-F281 HydrophobicContact CG-CG 4.35Å; P89-F281 HydrophobicContact CG-CZ 4.02Å; P89-H284 HydrophobicContact CB-CB 3.84Å; P89-H284 VanDerWaalsContact CB-ND1 3.34Å; P89-H284 WeakPolarHBondContact CB-ND1 3.4Å; P89-H284 HydrophobicContact CG-CB 3.69Å
90	F	96.4	Very high	92.1	Very high	33 Å²	33	24.4 Å²	24.4	15%	0.145	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-38.9	-170.5	-175.5	-119.5	0	0	0	112.1	P88 H92 M93 L94 F184 C221 G224 I225 F280	P88-F90 PolarHBondContact O-N 2.9Å; F90-H92 PolarHBondContact O-N 3.29Å; F90-M93 HydrophobicContact CB-CE 4.27Å; F90-M93 HydrophobicContact CD2-CE 4.09Å; F90-M93 PolarHBondContact O-N 3.38Å; F90-L94 HydrophobicContact CD1-CD1 4.07Å; F90-L94 HydrophobicContact CE1-CD1 3.65Å; F90-L94 HydrophobicContact CE1-CG 4.24Å; F90-L94 HydrophobicContact CE2-CD2 4.37Å; F90-L94 HydrophobicContact CE2-CG 4.27Å; F90-L94 HydrophobicContact CZ-CD1 3.93Å; F90-L94 HydrophobicContact CZ-CD2 4.13Å; F90-L94 HydrophobicContact CZ-CG 4.08Å; F90-L94 WeakPolarHBondContact O-CG 3.35Å; F90-L94 PolarHBondContact O-N 3.08Å; F90-F184 HydrophobicContact CE1-CE2 4.28Å; F90-F184 HydrophobicContact CE1-CZ 4.32Å; F90-C221 HydrophobicContact CD1-CB 4.17Å; F90-C221 HydrophobicContact CE1-CB 3.66Å; F90-C221 VanDerWaalsContact CE1-SG 3.54Å; F90-G224 WeakPolarHBondContact CA-O 3.34Å; F90-G224 VanDerWaalsContact CB-C 3.49Å; F90-G224 WeakPolarHBondContact CB-O 3.28Å; F90-G224 PolarHBondContact N-O 3.23Å; F90-I225 HydrophobicContact CD1-CD1 4.47Å; F90-I225 HydrophobicContact CD1-CG1 3.96Å; F90-F280 HydrophobicContact CB-CB 4.34Å; F90-F280 HydrophobicContact CB-CD1 4.45Å; F90-F280 HydrophobicContact CB-CD2 3.91Å; F90-F280 HydrophobicContact CB-CE2 4.31Å; F90-F280 HydrophobicContact CB-CG 3.99Å; F90-F280 HydrophobicContact CD1-CE2 4.23Å; F90-F280 HydrophobicContact CD1-CZ 4.18Å; F90-F280 AromaticContact CD2-CD1 3.51Å; F90-F280 HydrophobicContact CD2-CD1 3.51Å; F90-F280 HydrophobicContact CD2-CD2 4.32Å; F90-F280 AromaticContact CD2-CE1 3.53Å; F90-F280 HydrophobicContact CD2-CE1 3.53Å; F90-F280 HydrophobicContact CD2-CE2 4.34Å; F90-F280 AromaticContact CD2-CG 3.94Å; F90-F280 HydrophobicContact CD2-CG 3.94Å; F90-F280 AromaticContact CD2-CZ 3.97Å; F90-F280 HydrophobicContact CD2-CZ 3.97Å; F90-F280 HydrophobicContact CE1-CZ 4.27Å; F90-F280 AromaticContact CE2-CD1 3.97Å; F90-F280 HydrophobicContact CE2-CD1 3.97Å; F90-F280 AromaticContact CE2-CE1 3.57Å; F90-F280 HydrophobicContact CE2-CE1 3.57Å; F90-F280 HydrophobicContact CE2-CZ 4.05Å; F90-F280 HydrophobicContact CG-CD1 4.09Å; F90-F280 HydrophobicContact CG-CD2 4.07Å; F90-F280 HydrophobicContact CG-CE1 4.07Å; F90-F280 HydrophobicContact CG-CE2 4.05Å; F90-F280 HydrophobicContact CG-CG 4.1Å; F90-F280 HydrophobicContact CG-CZ 4.05Å; F90-F280 HydrophobicContact CZ-CE1 4.14Å; F90-F280 HydrophobicContact CZ-CZ 4.21Å
91	G	94.8	Very high	92.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-47.1	174.1	0	0	0	0	0	112.2	P89 M93 L94 L95	P89-G91 VanDerWaalsContact C-N 3.31Å; P89-G91 PolarHBondContact O-N 3.49Å; G91-M93 PolarHBondContact O-N 3.32Å; G91-L94 WeakPolarHBondContact O-CB 3.35Å; G91-L94 PolarHBondContact O-N 3.16Å; G91-L95 PolarHBondContact O-N 3.06Å; G91-L95 VanDerWaalsContact O-N 3.07Å
92	H	94.9	Very high	92.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	16%	0.158	C	C	.	.	H	α-helix	trans	-65.2	-38.4	177.6	-53	116.7	0	0	0	112.7	Y69 Y72 Y76 D84 P89 F90 L94 L95 A96	Y69-H92 AromaticContact CD1-CD2 3.61Å; Y69-H92 AromaticContact CD1-NE2 3.5Å; Y69-H92 AromaticContact CE1-CD2 3.98Å; Y69-H92 AromaticContact CE1-NE2 3.42Å; Y69-H92 WeakPolarHBondContact CE1-NE2 3.26Å; Y72-H92 AromaticContact CD2-CD2 3.66Å; Y72-H92 AromaticContact CD2-NE2 3.65Å; Y72-H92 AromaticContact CE2-NE2 3.96Å; Y76-H92 HydrophobicContact CE2-CB 3.55Å; D84-H92 IonicContact OD2-CE1 3.26Å; D84-H92 PolarHBondContact OD2-CE1 3.14Å; D84-H92 IonicContact OD2-ND1 3.45Å; D84-H92 IonicContact OD2-NE2 2.72Å; P89-H92 PolarHBondContact O-N 2.67Å; P89-H92 VanDerWaalsContact O-N 3.12Å; F90-H92 PolarHBondContact O-N 3.29Å; H92-L94 VanDerWaalsContact C-N 3.31Å; H92-L94 PolarHBondContact O-N 3.12Å; H92-L95 PolarHBondContact O-N 3.25Å; H92-A96 VanDerWaalsContact O-CB 3.26Å; H92-A96 WeakPolarHBondContact O-CB 3.46Å; H92-A96 PolarHBondContact O-N 3.42Å
93	M	96.1	Very high	92.1	Very high	24 Å²	24	33 Å²	33	12%	0.118	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-36.9	175.4	-70.9	-171.5	-65	0	0	111.9	Y76 P89 F90 G91 A96 L97 F280 V283 H284 L287	Y76-M93 HydrophobicContact CE1-CG 3.69Å; Y76-M93 WeakPolarHBondContact OH-CG 3.35Å; P89-M93 HydrophobicContact CB-CE 4.4Å; P89-M93 HydrophobicContact CG-CE 4.34Å; P89-M93 WeakPolarHBondContact O-CG 3.28Å; P89-M93 PolarHBondContact O-N 3.43Å; F90-M93 HydrophobicContact CB-CE 4.27Å; F90-M93 HydrophobicContact CD2-CE 4.09Å; F90-M93 PolarHBondContact O-N 3.38Å; G91-M93 PolarHBondContact O-N 3.32Å; M93-A96 PolarHBondContact O-N 2.56Å; M93-L97 WeakPolarHBondContact O-CB 3.47Å; M93-L97 PolarHBondContact O-N 3.33Å; M93-F280 HydrophobicContact CE-CB 3.98Å; M93-F280 WeakPolarHBondContact CE-O 3.18Å; M93-V283 HydrophobicContact SD-CB 4.23Å; M93-V283 HydrophobicContact SD-CG1 3.84Å; M93-H284 HydrophobicContact SD-CB 4.15Å; M93-L287 HydrophobicContact SD-CD1 4.46Å
94	L	95.9	Very high	92.3	Very high	28 Å²	28	32.8 Å²	32.8	15%	0.147	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-43.4	175.1	-78	178.8	0	0	0	112.2	F90 G91 H92 L97 G98 L129 I180 F184	F90-L94 HydrophobicContact CD1-CD1 4.07Å; F90-L94 HydrophobicContact CE1-CD1 3.65Å; F90-L94 HydrophobicContact CE1-CG 4.24Å; F90-L94 HydrophobicContact CE2-CD2 4.37Å; F90-L94 HydrophobicContact CE2-CG 4.27Å; F90-L94 HydrophobicContact CZ-CD1 3.93Å; F90-L94 HydrophobicContact CZ-CD2 4.13Å; F90-L94 HydrophobicContact CZ-CG 4.08Å; F90-L94 WeakPolarHBondContact O-CG 3.35Å; F90-L94 PolarHBondContact O-N 3.08Å; G91-L94 WeakPolarHBondContact O-CB 3.35Å; G91-L94 PolarHBondContact O-N 3.16Å; H92-L94 VanDerWaalsContact C-N 3.31Å; H92-L94 PolarHBondContact O-N 3.12Å; L94-L97 WeakPolarHBondContact O-CB 3.32Å; L94-L97 PolarHBondContact O-N 3.27Å; L94-G98 PolarHBondContact O-N 3.02Å; L94-L129 HydrophobicContact CB-CD2 3.63Å; L94-L129 HydrophobicContact CD1-CD2 4.49Å; L94-L129 HydrophobicContact CD2-CD2 4.14Å; L94-L129 HydrophobicContact CG-CD2 4.3Å; L94-I180 HydrophobicContact CD1-CG2 3.87Å; L94-F184 HydrophobicContact CD1-CE2 4.24Å
95	L	95.3	Very high	92.6	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-40.7	173.5	-64.4	-179	0	0	0	111.6	Y69 I73 G91 H92 L97 G98 G99 P130 M175 L177 I180	Y69-L95 HydrophobicContact CG-CD1 4.27Å; I73-L95 HydrophobicContact CD1-CB 3.67Å; I73-L95 HydrophobicContact CD1-CD1 4.46Å; I73-L95 HydrophobicContact CG1-CB 3.99Å; G91-L95 PolarHBondContact O-N 3.06Å; G91-L95 VanDerWaalsContact O-N 3.07Å; H92-L95 PolarHBondContact O-N 3.25Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 3.45Å; L95-G98 PolarHBondContact O-N 3.18Å; L95-G98 VanDerWaalsContact O-N 3.12Å; L95-G99 PolarHBondContact O-N 3.47Å; L95-P130 HydrophobicContact CD2-CG 3.67Å; L95-M175 HydrophobicContact CD1-CG 4.06Å; L95-M175 HydrophobicContact CD2-CG 4.15Å; L95-L177 HydrophobicContact CD1-CD2 3.52Å; L95-L177 HydrophobicContact CD1-CG 4.29Å; L95-L177 HydrophobicContact CG-CD2 3.84Å; L95-I180 HydrophobicContact CD2-CD1 4.1Å
96	A	95.5	Very high	93.1	Very high	6 Å²	6	32.7 Å²	32.7	5%	0.05	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-36.8	176	0	0	0	0	0	112	I73 Y76 M77 H92 M93 G98 G99 W100	I73-A96 HydrophobicContact CG1-CB 4.46Å; Y76-A96 HydrophobicContact CD2-CB 3.83Å; Y76-A96 HydrophobicContact CG-CB 3.87Å; M77-A96 HydrophobicContact CE-CB 3.81Å; M77-A96 WeakPolarHBondContact CE-O 3.26Å; H92-A96 VanDerWaalsContact O-CB 3.26Å; H92-A96 WeakPolarHBondContact O-CB 3.46Å; H92-A96 PolarHBondContact O-N 3.42Å; M93-A96 PolarHBondContact O-N 2.56Å; A96-G98 VanDerWaalsContact C-N 3.33Å; A96-G98 PolarHBondContact O-N 2.98Å; A96-G99 PolarHBondContact O-N 3.09Å; A96-W100 WeakPolarHBondContact O-CB 3.45Å; A96-W100 PolarHBondContact O-N 3.18Å
97	L	94.9	Very high	93.7	Very high	83 Å²	83	35.6 Å²	35.6	44%	0.435	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-43	172.3	179.2	65.5	0	0	0	111.3	M93 L94 L95 G99 W100 L101	M93-L97 WeakPolarHBondContact O-CB 3.47Å; M93-L97 PolarHBondContact O-N 3.33Å; L94-L97 WeakPolarHBondContact O-CB 3.32Å; L94-L97 PolarHBondContact O-N 3.27Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 3.45Å; L97-G99 VanDerWaalsContact C-N 3.33Å; L97-G99 PolarHBondContact O-N 2.88Å; L97-W100 HydrophobicContact CD1-CE3 4.21Å; L97-W100 PolarHBondContact O-N 3.45Å; L97-L101 HydrophobicContact CD1-CD1 4.36Å; L97-L101 HydrophobicContact CD1-CG 4.34Å; L97-L101 HydrophobicContact CG-CD1 4.16Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.31Å; L97-L101 PolarHBondContact O-N 3.35Å
98	G	93	Very high	93.9	Very high	11 Å²	11	37.2 Å²	37.2	11%	0.113	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-41.2	173.9	0	0	0	0	0	112.8	L94 L95 A96 G102 S125	L94-G98 PolarHBondContact O-N 3.02Å; L95-G98 PolarHBondContact O-N 3.18Å; L95-G98 VanDerWaalsContact O-N 3.12Å; A96-G98 VanDerWaalsContact C-N 3.33Å; A96-G98 PolarHBondContact O-N 2.98Å; G98-G102 PolarHBondContact O-N 2.92Å; G98-G102 VanDerWaalsContact O-N 3.1Å; G98-S125 WeakPolarHBondContact O-CB 3.43Å
99	G	92.9	Very high	93.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-45.1	174.2	0	0	0	0	0	112.9	L95 A96 L97 G102 G103 F104 L126	L95-G99 PolarHBondContact O-N 3.47Å; A96-G99 PolarHBondContact O-N 3.09Å; L97-G99 VanDerWaalsContact C-N 3.33Å; L97-G99 PolarHBondContact O-N 2.88Å; G99-G102 CarbonylContact O-C 3.35Å; G99-G102 PolarHBondContact O-N 3.35Å; G99-G102 VanDerWaalsContact O-N 3.17Å; G99-G103 PolarHBondContact O-N 3.1Å; G99-F104 VanDerWaalsContact O-CB 3.31Å; G99-F104 WeakPolarHBondContact O-CB 3.34Å; G99-F104 PolarHBondContact O-N 3.3Å; G99-L126 VanDerWaalsContact CA-CD2 3.44Å
100	W	94.5	Very high	93.3	Very high	172 Å²	172	44.2 Å²	44.2	65%	0.652	24%	0.241	S	C	*	.	H	α-helix	trans	-63.5	-45.7	179	-178.3	76	0	0	0	112.2	M77 A96 L97 G102 G103	M77-W100 HydrophobicContact CE-CB 4.02Å; M77-W100 HydrophobicContact SD-CB 4.12Å; A96-W100 WeakPolarHBondContact O-CB 3.45Å; A96-W100 PolarHBondContact O-N 3.18Å; L97-W100 HydrophobicContact CD1-CE3 4.21Å; L97-W100 PolarHBondContact O-N 3.45Å; W100-G102 PolarHBondContact O-N 2.91Å; W100-G103 PolarHBondContact O-N 3.32Å
101	L	94.5	Very high	92.6	Very high	122 Å²	122	47.3 Å²	47.3	64%	0.639	26%	0.258	S	S	*	.	H	α-helix	trans	-62.6	-29.8	174.6	-70.1	173	0	0	0	112.4	L97 G103	L97-L101 HydrophobicContact CD1-CD1 4.36Å; L97-L101 HydrophobicContact CD1-CG 4.34Å; L97-L101 HydrophobicContact CG-CD1 4.16Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.31Å; L97-L101 PolarHBondContact O-N 3.35Å; L101-G103 VanDerWaalsContact C-N 3.3Å
102	G	92.4	Very high	92.3	Very high	27 Å²	27	55.5 Å²	55.5	28%	0.278	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.3	173.7	0	0	0	0	0	115	G98 G99 W100 P122	G98-G102 PolarHBondContact O-N 2.92Å; G98-G102 VanDerWaalsContact O-N 3.1Å; G99-G102 CarbonylContact O-C 3.35Å; G99-G102 PolarHBondContact O-N 3.35Å; G99-G102 VanDerWaalsContact O-N 3.17Å; W100-G102 PolarHBondContact O-N 2.91Å; G102-P122 WeakPolarHBondContact O-CB 3.4Å; G102-P122 WeakPolarHBondContact O-CG 3.2Å
103	G	93	Very high	91.9	Very high	61 Å²	61	59.2 Å²	59.2	63%	0.629	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	25.8	-177.9	0	0	0	0	0	114.6	G99 W100 L101	G99-G103 PolarHBondContact O-N 3.1Å; W100-G103 PolarHBondContact O-N 3.32Å; L101-G103 VanDerWaalsContact C-N 3.3Å
104	F	93.8	Very high	91.5	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.035	31%	0.31	C	S	.	.			trans	-70.7	128.6	176	-174.8	-132.8	0	0	0	111.4	I73 M77 G99 G106 F108 W110 V121 P122	I73-F104 HydrophobicContact CG2-CD1 3.83Å; I73-F104 HydrophobicContact CG2-CE1 3.98Å; M77-F104 HydrophobicContact CG-CD1 3.9Å; M77-F104 HydrophobicContact CG-CE1 4.49Å; G99-F104 VanDerWaalsContact O-CB 3.31Å; G99-F104 WeakPolarHBondContact O-CB 3.34Å; G99-F104 PolarHBondContact O-N 3.3Å; F104-G106 VanDerWaalsContact CE1-CA 3.47Å; F104-F108 HydrophobicContact CE2-CB 4.18Å; F104-F108 HydrophobicContact CZ-CB 4.04Å; F104-W110 HydrophobicContact CZ-CZ2 4.36Å; F104-V121 HydrophobicContact CD2-CG2 4.46Å; F104-V121 HydrophobicContact CE2-CG2 3.91Å; F104-P122 HydrophobicContact CB-CG 3.86Å
105	D	91.1	Very high	91.1	Very high	79 Å²	79	58 Å²	58	42%	0.422	31%	0.307	S	S	.	.			trans	-89.5	-3	-178.4	68.3	-17	0	0	0	113.7	N107 N120	D105-N107 VanDerWaalsContact C-N 3.29Å; D105-N107 PolarHBondContact O-N 2.88Å; D105-N107 PolarHBondContact OD1-N 2.76Å; D105-N107 WeakPolarHBondContact OD2-CB 3.42Å; D105-N107 PolarHBondContact OD2-ND2 2.95Å; D105-N120 PolarHBondContact OD1-ND2 3.38Å
106	G	91.1	Very high	90.8	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.338	C	S	.	.	S	Bend	trans	83	-2	-176.6	0	0	0	0	0	114.5	S74 K78 F104 F108	S74-G106 WeakPolarHBondContact CB-O 3.39Å; S74-G106 PolarHBondContact OG-O 3.31Å; K78-G106 VanDerWaalsContact CE-O 3.24Å; K78-G106 WeakPolarHBondContact CE-O 3.42Å; K78-G106 PolarHBondContact NZ-O 2.89Å; F104-G106 VanDerWaalsContact CE1-CA 3.47Å; G106-F108 PolarHBondContact O-N 2.88Å
107	N	91.6	Very high	90.6	Very high	86 Å²	86	65 Å²	65	46%	0.46	34%	0.339	S	S	.	.			trans	-92.6	84.3	-176.1	-65.3	-42.6	0	0	0	111.4	K78 D105 N120	K78-N107 WeakPolarHBondContact CE-OD1 3.43Å; K78-N107 PolarHBondContact NZ-OD1 3.48Å; D105-N107 VanDerWaalsContact C-N 3.29Å; D105-N107 PolarHBondContact O-N 2.88Å; D105-N107 PolarHBondContact OD1-N 2.76Å; D105-N107 WeakPolarHBondContact OD2-CB 3.42Å; D105-N107 PolarHBondContact OD2-ND2 2.95Å; N107-N120 PolarHBondContact O-ND2 3.21Å
108	F	90.8	Very high	90.3	Very high	34 Å²	34	63.3 Å²	63.3	15%	0.149	33%	0.334	C	S	.	.			trans	-148	142.4	168.5	-176.1	-106.2	0	0	0	109.3	V62 F104 G106 W110 Y117 S118 V121	V62-F108 HydrophobicContact CG2-CE1 3.73Å; V62-F108 HydrophobicContact CG2-CZ 4.05Å; F104-F108 HydrophobicContact CE2-CB 4.18Å; F104-F108 HydrophobicContact CZ-CB 4.04Å; G106-F108 PolarHBondContact O-N 2.88Å; F108-W110 AromaticContact CD1-CD2 3.52Å; F108-W110 HydrophobicContact CD1-CD2 3.52Å; F108-W110 AromaticContact CD1-CE2 3.51Å; F108-W110 AromaticContact CD1-CE3 3.84Å; F108-W110 HydrophobicContact CD1-CE3 3.84Å; F108-W110 AromaticContact CD1-CG 3.98Å; F108-W110 HydrophobicContact CD1-CG 3.98Å; F108-W110 HydrophobicContact CD1-CH2 4.16Å; F108-W110 AromaticContact CD1-CZ2 3.84Å; F108-W110 HydrophobicContact CD1-CZ2 3.84Å; F108-W110 HydrophobicContact CD1-CZ3 4.17Å; F108-W110 AromaticContact CD1-NE1 3.94Å; F108-W110 AromaticContact CE1-CD2 3.95Å; F108-W110 HydrophobicContact CE1-CD2 3.95Å; F108-W110 AromaticContact CE1-CE3 3.82Å; F108-W110 HydrophobicContact CE1-CE3 3.82Å; F108-W110 HydrophobicContact CE1-CH2 4.47Å; F108-W110 HydrophobicContact CE1-CZ3 4.11Å; F108-Y117 HydrophobicContact CE1-CD1 4.01Å; F108-Y117 HydrophobicContact CE1-CE1 4.11Å; F108-Y117 HydrophobicContact CE2-CD1 4.38Å; F108-Y117 AromaticContact CZ-CD1 3.87Å; F108-Y117 HydrophobicContact CZ-CD1 3.87Å; F108-Y117 HydrophobicContact CZ-CE1 4.38Å; F108-S118 VanDerWaalsContact CD2-OG 3.23Å; F108-S118 WeakPolarHBondContact CD2-OG 3.47Å; F108-V121 HydrophobicContact CB-CG2 3.95Å; F108-V121 HydrophobicContact CD2-CG2 3.77Å; F108-V121 HydrophobicContact CE2-CG2 4.4Å; F108-V121 HydrophobicContact CG-CG2 3.84Å
109	L	88.3	Confident	90	Very high	131 Å²	131	68.5 Å²	68.5	69%	0.686	37%	0.369	S	S	*	.			trans	-93.7	102.5	178.8	-176.2	68.3	0	0	0	109.4	N111	L109-N111 HydrophobicContact CD2-CB 4.41Å; L109-N111 HydrophobicContact CG-CB 4.21Å; L109-N111 PolarHBondContact O-N 2.9Å; L109-N111 VanDerWaalsContact O-N 3.09Å
110	W	88.5	Confident	89.8	Confident	21 Å²	21	71.2 Å²	71.2	8%	0.08	38%	0.383	C	S	.	.			trans	-80.5	78.5	177.9	-55.9	94.9	0	0	0	110.8	V62 E66 V67 G70 Q71 S74 F104 F108 Y117 M175	V62-W110 HydrophobicContact CG1-CE3 4.13Å; V62-W110 HydrophobicContact CG1-CZ3 4.29Å; V62-W110 HydrophobicContact CG2-CE3 4.04Å; V62-W110 HydrophobicContact CG2-CZ3 4.06Å; E66-W110 WeakPolarHBondContact O-CZ3 3.19Å; V67-W110 HydrophobicContact CG1-CB 4.09Å; V67-W110 WeakPolarHBondContact CG1-O 3.43Å; V67-W110 WeakPolarHBondContact O-CB 3.49Å; G70-W110 PolarHBondContact O-NE1 3.49Å; Q71-W110 HydrophobicContact CB-CB 4.37Å; Q71-W110 HydrophobicContact CB-CG 4.34Å; S74-W110 PolarHBondContact OG-NE1 2.89Å; F104-W110 HydrophobicContact CZ-CZ2 4.36Å; F108-W110 AromaticContact CD1-CD2 3.52Å; F108-W110 HydrophobicContact CD1-CD2 3.52Å; F108-W110 AromaticContact CD1-CE2 3.51Å; F108-W110 AromaticContact CD1-CE3 3.84Å; F108-W110 HydrophobicContact CD1-CE3 3.84Å; F108-W110 AromaticContact CD1-CG 3.98Å; F108-W110 HydrophobicContact CD1-CG 3.98Å; F108-W110 HydrophobicContact CD1-CH2 4.16Å; F108-W110 AromaticContact CD1-CZ2 3.84Å; F108-W110 HydrophobicContact CD1-CZ2 3.84Å; F108-W110 HydrophobicContact CD1-CZ3 4.17Å; F108-W110 AromaticContact CD1-NE1 3.94Å; F108-W110 AromaticContact CE1-CD2 3.95Å; F108-W110 HydrophobicContact CE1-CD2 3.95Å; F108-W110 AromaticContact CE1-CE3 3.82Å; F108-W110 HydrophobicContact CE1-CE3 3.82Å; F108-W110 HydrophobicContact CE1-CH2 4.47Å; F108-W110 HydrophobicContact CE1-CZ3 4.11Å; W110-Y117 AromaticContact CH2-CE1 3.63Å; W110-Y117 HydrophobicContact CH2-CE1 3.63Å; W110-Y117 AromaticContact CZ3-CE1 3.52Å; W110-Y117 HydrophobicContact CZ3-CE1 3.52Å; W110-M175 HydrophobicContact CH2-CE 4.01Å; W110-M175 HydrophobicContact CZ3-CE 4.18Å
111	N	82	Confident	89.7	Confident	97 Å²	97	63.2 Å²	63.2	52%	0.519	35%	0.353	S	S	.	.			trans	-102.7	-38.7	-172	59.3	-5.7	0	0	0	115.2	L109	L109-N111 HydrophobicContact CD2-CB 4.41Å; L109-N111 HydrophobicContact CG-CB 4.21Å; L109-N111 PolarHBondContact O-N 2.9Å; L109-N111 VanDerWaalsContact O-N 3.09Å
112	R	87.6	Confident	89.7	Confident	173 Å²	173	58.6 Å²	58.6	65%	0.653	33%	0.33	S	S	*	.	S	Bend	trans	-150.4	149.1	-174.8	67.7	-176.8	-179.9	-174.4	0.1	112.5	A115	R112-A115 HydrophobicContact CG-CB 3.99Å; R112-A115 WeakPolarHBondContact O-CB 3.47Å; R112-A115 PolarHBondContact O-N 3.31Å
113	I	87.4	Confident	89.7	Confident	79 Å²	79	57.7 Å²	57.7	41%	0.405	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	136.4	167.6	-58.1	171	0	0	0	108.5	F64 V67 Y581	F64-I113 HydrophobicContact CB-CD1 4.26Å; F64-I113 HydrophobicContact CD2-CD1 3.77Å; F64-I113 HydrophobicContact CG-CD1 4.42Å; V67-I113 HydrophobicContact CG2-CG1 3.9Å; I113-Y581 WeakPolarHBondContact CG2-O 3.47Å
114	G	86.8	Confident	89.8	Confident	15 Å²	15	60.7 Å²	60.7	16%	0.155	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-0.6	-176.9	0	0	0	0	0	115	V62 E116	V62-G114 PolarHBondContact O-N 3.49Å; G114-E116 PolarHBondContact O-N 2.9Å
115	A	88.1	Confident	89.8	Confident	11 Å²	11	61.6 Å²	61.6	9%	0.091	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-62.8	131.2	169.3	0	0	0	0	0	110.5	A61 V62 R112	A61-A115 CarbonylContact C-O 3.09Å; A61-A115 WeakPolarHBondContact CA-O 3.3Å; A61-A115 WeakPolarHBondContact CB-O 3.45Å; V62-A115 HydrophobicContact CG2-CB 4.23Å; V62-A115 PolarHBondContact N-O 2.9Å; R112-A115 HydrophobicContact CG-CB 3.99Å; R112-A115 WeakPolarHBondContact O-CB 3.47Å; R112-A115 PolarHBondContact O-N 3.31Å
116	E	89.6	Confident	90	Very high	140 Å²	140	58 Å²	58	65%	0.654	30%	0.3	S	S	*	.	B	Isolated β-bridge	trans	-71.8	136.5	178.6	-70.1	-178.4	-176.6	0	0	111	R60 G114 S118	R60-E116 WeakPolarHBondContact O-CA 3.43Å; G114-E116 PolarHBondContact O-N 2.9Å; E116-S118 PolarHBondContact O-N 2.9Å
117	Y	90	Very high	90.2	Very high	15 Å²	15	58 Å²	58	6%	0.059	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-69.5	129.3	176.2	-74.5	-61	0	0	0	110.8	R60 A61 V62 E66 F108 W110 V121 V123	R60-Y117 VanDerWaalsContact C-CD2 3.48Å; R60-Y117 PolarHBondContact O-N 3.39Å; A61-Y117 VanDerWaalsContact O-CE2 3.22Å; A61-Y117 WeakPolarHBondContact O-CE2 3.26Å; V62-Y117 HydrophobicContact CG2-CD1 4.26Å; V62-Y117 HydrophobicContact CG2-CE1 3.68Å; E66-Y117 PolarHBondContact OE2-OH 2.67Å; F108-Y117 HydrophobicContact CE1-CD1 4.01Å; F108-Y117 HydrophobicContact CE1-CE1 4.11Å; F108-Y117 HydrophobicContact CE2-CD1 4.38Å; F108-Y117 AromaticContact CZ-CD1 3.87Å; F108-Y117 HydrophobicContact CZ-CD1 3.87Å; F108-Y117 HydrophobicContact CZ-CE1 4.38Å; W110-Y117 AromaticContact CH2-CE1 3.63Å; W110-Y117 HydrophobicContact CH2-CE1 3.63Å; W110-Y117 AromaticContact CZ3-CE1 3.52Å; W110-Y117 HydrophobicContact CZ3-CE1 3.52Å; Y117-V121 HydrophobicContact CD1-CB 4.02Å; Y117-V121 HydrophobicContact CD1-CG1 3.69Å; Y117-V121 HydrophobicContact CD1-CG2 4.15Å; Y117-V121 HydrophobicContact CE1-CG1 4.05Å; Y117-V121 HydrophobicContact CG-CB 4.45Å; Y117-V121 HydrophobicContact CG-CG1 4.3Å; Y117-V123 HydrophobicContact CD1-CG2 4.41Å; Y117-V123 HydrophobicContact CD2-CB 4.45Å; Y117-V123 HydrophobicContact CD2-CG1 4.21Å; Y117-V123 HydrophobicContact CD2-CG2 3.36Å; Y117-V123 HydrophobicContact CE2-CG1 4.15Å; Y117-V123 HydrophobicContact CE2-CG2 3.98Å; Y117-V123 HydrophobicContact CG-CG2 3.62Å
118	S	89.5	Confident	90.4	Very high	47 Å²	47	56 Å²	56	33%	0.329	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-66.2	165.1	170.6	43.9	0	0	0	0	111.7	F108 E116 N120 V121	F108-S118 VanDerWaalsContact CD2-OG 3.23Å; F108-S118 WeakPolarHBondContact CD2-OG 3.47Å; E116-S118 PolarHBondContact O-N 2.9Å; S118-N120 VanDerWaalsContact CB-OD1 3.29Å; S118-N120 WeakPolarHBondContact CB-OD1 3.26Å; S118-N120 PolarHBondContact O-N 3.36Å; S118-N120 PolarHBondContact OG-OD1 2.92Å; S118-V121 PolarHBondContact O-N 3.43Å
119	S	86.8	Confident	90.6	Very high	121 Å²	121	57.1 Å²	57.1	85%	0.846	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.3	-176.6	49.5	0	0	0	0	114.3
120	N	89.2	Confident	91	Very high	56 Å²	56	50.9 Å²	50.9	30%	0.299	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.2	178.2	68.5	-30.2	0	0	0	114.2	D105 N107 S118 P122	D105-N120 PolarHBondContact OD1-ND2 3.38Å; N107-N120 PolarHBondContact O-ND2 3.21Å; S118-N120 VanDerWaalsContact CB-OD1 3.29Å; S118-N120 WeakPolarHBondContact CB-OD1 3.26Å; S118-N120 PolarHBondContact O-N 3.36Å; S118-N120 PolarHBondContact OG-OD1 2.92Å; N120-P122 VanDerWaalsContact O-CD 3.27Å; N120-P122 WeakPolarHBondContact O-CD 3.44Å
121	V	92.3	Very high	91.5	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.03	26%	0.26	C	S	.	.			trans	-88.4	114.1	-178.7	-175.9	0	0	0	0	109.7	F104 F108 Y117 S118 V123 L126	F104-V121 HydrophobicContact CD2-CG2 4.46Å; F104-V121 HydrophobicContact CE2-CG2 3.91Å; F108-V121 HydrophobicContact CB-CG2 3.95Å; F108-V121 HydrophobicContact CD2-CG2 3.77Å; F108-V121 HydrophobicContact CE2-CG2 4.4Å; F108-V121 HydrophobicContact CG-CG2 3.84Å; Y117-V121 HydrophobicContact CD1-CB 4.02Å; Y117-V121 HydrophobicContact CD1-CG1 3.69Å; Y117-V121 HydrophobicContact CD1-CG2 4.15Å; Y117-V121 HydrophobicContact CE1-CG1 4.05Å; Y117-V121 HydrophobicContact CG-CB 4.45Å; Y117-V121 HydrophobicContact CG-CG1 4.3Å; S118-V121 PolarHBondContact O-N 3.43Å; V121-V123 VanDerWaalsContact C-N 3.27Å; V121-V123 HydrophobicContact CG1-CG2 4.29Å; V121-V123 PolarHBondContact O-N 3.46Å; V121-L126 HydrophobicContact CG1-CD1 3.64Å
122	P	93.4	Very high	92.2	Very high	24 Å²	24	47.9 Å²	47.9	16%	0.156	25%	0.249	C	C	.	.			trans	-79.8	74.7	178.7	34.6	-36.4	0	0	0	110.7	G102 F104 N120 W124 S125 L126	G102-P122 WeakPolarHBondContact O-CB 3.4Å; G102-P122 WeakPolarHBondContact O-CG 3.2Å; F104-P122 HydrophobicContact CB-CG 3.86Å; N120-P122 VanDerWaalsContact O-CD 3.27Å; N120-P122 WeakPolarHBondContact O-CD 3.44Å; P122-W124 PolarHBondContact O-N 2.85Å; P122-S125 PolarHBondContact O-N 3.3Å; P122-L126 PolarHBondContact O-N 2.91Å
123	V	93.1	Very high	92.7	Very high	8 Å²	8	40 Å²	40	5%	0.048	22%	0.221	C	C	.	.	H	α-helix	trans	-52.7	-41.5	-175.6	-176.5	0	0	0	0	112.4	Y117 V121 L126 R127	Y117-V123 HydrophobicContact CD1-CG2 4.41Å; Y117-V123 HydrophobicContact CD2-CB 4.45Å; Y117-V123 HydrophobicContact CD2-CG1 4.21Å; Y117-V123 HydrophobicContact CD2-CG2 3.36Å; Y117-V123 HydrophobicContact CE2-CG1 4.15Å; Y117-V123 HydrophobicContact CE2-CG2 3.98Å; Y117-V123 HydrophobicContact CG-CG2 3.62Å; V121-V123 VanDerWaalsContact C-N 3.27Å; V121-V123 HydrophobicContact CG1-CG2 4.29Å; V121-V123 PolarHBondContact O-N 3.46Å; V123-L126 PolarHBondContact O-N 3.23Å; V123-R127 PolarHBondContact O-N 3.28Å; V123-R127 VanDerWaalsContact O-N 3.15Å
124	W	94.8	Very high	93.1	Very high	124 Å²	124	36.5 Å²	36.5	47%	0.47	20%	0.204	S	C	.	.	H	α-helix	trans	-62.2	-47.3	179.2	-171.9	91.9	0	0	0	111.6	P122 L126 R127 L128	P122-W124 PolarHBondContact O-N 2.85Å; W124-L126 VanDerWaalsContact C-N 3.35Å; W124-L126 PolarHBondContact O-N 2.93Å; W124-R127 PolarHBondContact O-N 2.9Å; W124-L128 HydrophobicContact CE3-CD2 4.44Å; W124-L128 HydrophobicContact CH2-CD1 3.66Å; W124-L128 HydrophobicContact CH2-CD2 3.68Å; W124-L128 HydrophobicContact CH2-CG 4.19Å; W124-L128 HydrophobicContact CZ2-CD1 3.79Å; W124-L128 HydrophobicContact CZ3-CB 4.46Å; W124-L128 HydrophobicContact CZ3-CD1 4.22Å; W124-L128 HydrophobicContact CZ3-CD2 3.6Å; W124-L128 HydrophobicContact CZ3-CG 4.3Å; W124-L128 WeakPolarHBondContact O-CB 3.43Å; W124-L128 PolarHBondContact O-N 3.24Å
125	S	94.8	Very high	93.6	Very high	28 Å²	28	35.8 Å²	35.8	20%	0.196	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-36.8	-179.4	-51.4	0	0	0	0	112.4	G98 P122 L128	G98-S125 WeakPolarHBondContact O-CB 3.43Å; P122-S125 PolarHBondContact O-N 3.3Å; S125-L128 PolarHBondContact O-N 3.49Å
126	L	93.7	Very high	94.1	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-37.8	178	-72.1	172.6	0	0	0	113	I73 G99 V121 P122 V123 W124 M175	I73-L126 HydrophobicContact CD1-CD2 3.98Å; I73-L126 HydrophobicContact CG2-CD2 4.27Å; G99-L126 VanDerWaalsContact CA-CD2 3.44Å; V121-L126 HydrophobicContact CG1-CD1 3.64Å; P122-L126 PolarHBondContact O-N 2.91Å; V123-L126 PolarHBondContact O-N 3.23Å; W124-L126 VanDerWaalsContact C-N 3.35Å; W124-L126 PolarHBondContact O-N 2.93Å; L126-M175 HydrophobicContact CB-CG 4.45Å; L126-M175 HydrophobicContact CB-SD 3.89Å; L126-M175 HydrophobicContact CD1-SD 4.07Å; L126-M175 HydrophobicContact CD2-SD 4.01Å; L126-M175 HydrophobicContact CG-SD 4.22Å
127	R	95.7	Very high	94.5	Very high	1 Å²	1	32 Å²	32	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-86.8	-14.5	179.9	-71.7	178.2	174	162.5	6.7	113.6	L56 P59 A61 E66 V123 W124 L129 P130 A131 R173 M175	L56-R127 HydrophobicContact CD1-CB 4.01Å; L56-R127 HydrophobicContact CD2-CB 3.66Å; L56-R127 HydrophobicContact CG-CB 3.54Å; L56-R127 VanDerWaalsContact O-CD 3.26Å; L56-R127 WeakPolarHBondContact O-CD 3.4Å; L56-R127 PolarHBondContact O-NH1 3.08Å; L56-R127 VanDerWaalsContact O-NH1 3.11Å; P59-R127 PolarHBondContact O-NH1 3.46Å; P59-R127 PolarHBondContact O-NH2 2.87Å; A61-R127 PolarHBondContact O-NH2 3.24Å; E66-R127 IonicContact OE1-CZ 2.71Å; E66-R127 IonicContact OE1-NE 3.96Å; E66-R127 PolarHBondContact OE1-NE 3.35Å; E66-R127 IonicContact OE1-NH2 3.43Å; E66-R127 PolarHBondContact OE1-NH2 3.3Å; E66-R127 VanDerWaalsContact OE1-NH2 3.16Å; E66-R127 IonicContact OE2-CZ 2.67Å; E66-R127 IonicContact OE2-NE 3.55Å; E66-R127 IonicContact OE2-NH2 3.97Å; E66-R127 PolarHBondContact OE2-NH2 3.03Å; V123-R127 PolarHBondContact O-N 3.28Å; V123-R127 VanDerWaalsContact O-N 3.15Å; W124-R127 PolarHBondContact O-N 2.9Å; R127-L129 PolarHBondContact O-N 3.26Å; R127-P130 WeakPolarHBondContact O-CD 3.32Å; R127-A131 WeakPolarHBondContact O-CB 3.29Å; R127-A131 PolarHBondContact O-N 3.01Å; R127-A131 VanDerWaalsContact O-N 3.17Å; R127-R173 WeakPolarHBondContact CB-O 3.32Å; R127-R173 VanDerWaalsContact CD-O 3.29Å; R127-R173 WeakPolarHBondContact CD-O 3.41Å; R127-R173 WeakPolarHBondContact CG-O 3.37Å; R127-M175 HydrophobicContact CG-CB 4.37Å
128	L	96.1	Very high	94.8	Very high	43 Å²	43	31.3 Å²	31.3	23%	0.225	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-48.8	-173.4	178.9	65.6	0	0	0	112.6	L53 L56 W124 S125 A131 L132	L53-L128 HydrophobicContact CD2-CD1 3.67Å; L56-L128 HydrophobicContact CD2-CB 4.41Å; W124-L128 HydrophobicContact CE3-CD2 4.44Å; W124-L128 HydrophobicContact CH2-CD1 3.66Å; W124-L128 HydrophobicContact CH2-CD2 3.68Å; W124-L128 HydrophobicContact CH2-CG 4.19Å; W124-L128 HydrophobicContact CZ2-CD1 3.79Å; W124-L128 HydrophobicContact CZ3-CB 4.46Å; W124-L128 HydrophobicContact CZ3-CD1 4.22Å; W124-L128 HydrophobicContact CZ3-CD2 3.6Å; W124-L128 HydrophobicContact CZ3-CG 4.3Å; W124-L128 WeakPolarHBondContact O-CB 3.43Å; W124-L128 PolarHBondContact O-N 3.24Å; S125-L128 PolarHBondContact O-N 3.49Å; L128-A131 PolarHBondContact O-N 3.45Å; L128-L132 HydrophobicContact CD1-CD1 3.99Å; L128-L132 HydrophobicContact CD1-CD2 4.41Å; L128-L132 HydrophobicContact CD1-CG 3.96Å; L128-L132 HydrophobicContact CD2-CD1 4.3Å; L128-L132 HydrophobicContact CG-CD1 3.8Å; L128-L132 HydrophobicContact CG-CG 4.17Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.22Å; L128-L132 PolarHBondContact O-N 2.9Å
129	L	95.6	Very high	95.2	Very high	57 Å²	57	29.5 Å²	29.5	30%	0.298	16%	0.164	S	C	.	.	H	α-helix	trans	-66.8	-47.4	-173	-174	76	0	0	0	112.7	L94 R127 A131 L132 A133 I180	L94-L129 HydrophobicContact CB-CD2 3.63Å; L94-L129 HydrophobicContact CD1-CD2 4.49Å; L94-L129 HydrophobicContact CD2-CD2 4.14Å; L94-L129 HydrophobicContact CG-CD2 4.3Å; R127-L129 PolarHBondContact O-N 3.26Å; L129-A131 VanDerWaalsContact C-N 3.26Å; L129-A131 PolarHBondContact O-N 3.29Å; L129-L132 PolarHBondContact O-N 3.47Å; L129-A133 WeakPolarHBondContact O-CB 3.22Å; L129-A133 PolarHBondContact O-N 3.03Å; L129-I180 HydrophobicContact CD2-CD1 4.19Å; L129-I180 HydrophobicContact CG-CD1 4.47Å
130	P	96.7	Very high	95.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-51.7	-42.9	167.5	-30.8	37.7	0	0	0	113.5	L95 R127 A133 G134 S172 L174 S179 I180	L95-P130 HydrophobicContact CD2-CG 3.67Å; R127-P130 WeakPolarHBondContact O-CD 3.32Å; P130-A133 PolarHBondContact O-N 3.49Å; P130-G134 PolarHBondContact O-N 3.41Å; P130-S172 CarbonylContact C-O 3.6Å; P130-S172 WeakPolarHBondContact CB-O 3.22Å; P130-L174 WeakPolarHBondContact CB-O 3.32Å; P130-L174 WeakPolarHBondContact CG-O 3.38Å; P130-S179 WeakPolarHBondContact CA-OG 3.2Å; P130-S179 WeakPolarHBondContact CB-OG 3.46Å; P130-S179 PolarHBondContact O-OG 3.04Å; P130-I180 HydrophobicContact CG-CD1 4.24Å; P130-I180 HydrophobicContact CG-CG1 4.47Å
131	A	97.3	Very high	96.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-69.2	-39.8	-177.2	0	0	0	0	0	112	R52 L53 L56 R127 L128 L129 A135 S172	R52-A131 HydrophobicContact CB-CB 4.21Å; R52-A131 WeakPolarHBondContact CB-O 3.28Å; L53-A131 HydrophobicContact CD2-CB 3.81Å; L56-A131 HydrophobicContact CD1-CB 3.73Å; L56-A131 HydrophobicContact CD2-CB 4.27Å; R127-A131 WeakPolarHBondContact O-CB 3.29Å; R127-A131 PolarHBondContact O-N 3.01Å; R127-A131 VanDerWaalsContact O-N 3.17Å; L128-A131 PolarHBondContact O-N 3.45Å; L129-A131 VanDerWaalsContact C-N 3.26Å; L129-A131 PolarHBondContact O-N 3.29Å; A131-A135 VanDerWaalsContact O-CB 3.27Å; A131-A135 WeakPolarHBondContact O-CB 3.29Å; A131-A135 PolarHBondContact O-N 2.84Å; A131-S172 WeakPolarHBondContact CA-O 3.47Å; A131-S172 PolarHBondContact N-O 2.93Å
132	L	97.4	Very high	96.4	Very high	56 Å²	56	22 Å²	22	29%	0.293	11%	0.113	S	C	.	.	H	α-helix	trans	-64.5	-43.7	173.2	-70.4	175.7	0	0	0	111.4	L49 L53 L128 L129 G134 A135 L136	L49-L132 HydrophobicContact CD2-CD2 3.62Å; L53-L132 HydrophobicContact CD1-CD2 4.25Å; L53-L132 HydrophobicContact CD2-CD2 4.36Å; L128-L132 HydrophobicContact CD1-CD1 3.99Å; L128-L132 HydrophobicContact CD1-CD2 4.41Å; L128-L132 HydrophobicContact CD1-CG 3.96Å; L128-L132 HydrophobicContact CD2-CD1 4.3Å; L128-L132 HydrophobicContact CG-CD1 3.8Å; L128-L132 HydrophobicContact CG-CG 4.17Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.22Å; L128-L132 PolarHBondContact O-N 2.9Å; L129-L132 PolarHBondContact O-N 3.47Å; L132-G134 PolarHBondContact O-N 3.22Å; L132-A135 PolarHBondContact O-N 2.88Å; L132-L136 WeakPolarHBondContact O-CB 3.43Å; L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.5Å; L132-L136 PolarHBondContact O-N 3.46Å
133	A	97.5	Very high	96.6	Very high	8 Å²	8	22.2 Å²	22.2	7%	0.066	11%	0.112	C	C	.	.	H	α-helix	trans	-59.8	-47.5	177	0	0	0	0	0	111.5	L129 P130 A135 L136 S137 I180 F183	L129-A133 WeakPolarHBondContact O-CB 3.22Å; L129-A133 PolarHBondContact O-N 3.03Å; P130-A133 PolarHBondContact O-N 3.49Å; A133-A135 VanDerWaalsContact C-N 3.31Å; A133-A135 PolarHBondContact O-N 3.41Å; A133-L136 PolarHBondContact O-N 3.28Å; A133-S137 PolarHBondContact O-N 2.91Å; A133-I180 HydrophobicContact CB-CG1 4.25Å; A133-F183 HydrophobicContact CB-CB 3.77Å; A133-F183 HydrophobicContact CB-CG 4.14Å
134	G	97.2	Very high	96.8	Very high	4 Å²	4	21.8 Å²	21.8	4%	0.041	11%	0.11	C	C	.	.	H	α-helix	trans	-72	-19.3	176.3	0	0	0	0	0	115	R52 P130 L132 S137	R52-G134 PolarHBondContact NE-O 3.22Å; P130-G134 PolarHBondContact O-N 3.41Å; L132-G134 PolarHBondContact O-N 3.22Å; G134-S137 PolarHBondContact O-OG 3.13Å
135	A	97.6	Very high	96.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-76.7	-44.3	170.1	0	0	0	0	0	111.3	L49 R52 A131 L132 A133 S137 V138 P139	L49-A135 HydrophobicContact CD2-CB 3.84Å; L49-A135 HydrophobicContact CG-CB 4.23Å; R52-A135 HydrophobicContact CB-CB 4.3Å; R52-A135 HydrophobicContact CG-CB 4.5Å; A131-A135 VanDerWaalsContact O-CB 3.27Å; A131-A135 WeakPolarHBondContact O-CB 3.29Å; A131-A135 PolarHBondContact O-N 2.84Å; L132-A135 PolarHBondContact O-N 2.88Å; A133-A135 VanDerWaalsContact C-N 3.31Å; A133-A135 PolarHBondContact O-N 3.41Å; A135-S137 VanDerWaalsContact C-N 3.32Å; A135-S137 PolarHBondContact O-N 3.48Å; A135-V138 WeakPolarHBondContact O-CB 3.38Å; A135-V138 PolarHBondContact O-N 3.45Å; A135-P139 WeakPolarHBondContact O-CD 3.29Å
136	L	97.5	Very high	97	Very high	68 Å²	68	16 Å²	16	36%	0.356	9%	0.086	S	C	.	.	H	α-helix	trans	-74	-20.8	-179.3	-67	175.8	0	0	0	113.2	T45 L132 A133 V138 P139 M140 F183	T45-L136 HydrophobicContact CG2-CD2 4.24Å; L132-L136 WeakPolarHBondContact O-CB 3.43Å; L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.5Å; L132-L136 PolarHBondContact O-N 3.46Å; A133-L136 PolarHBondContact O-N 3.28Å; L136-V138 PolarHBondContact O-N 3.32Å; L136-P139 VanDerWaalsContact O-CD 3.23Å; L136-P139 WeakPolarHBondContact O-CD 3.34Å; L136-P139 VanDerWaalsContact O-CG 3.29Å; L136-P139 WeakPolarHBondContact O-CG 3.14Å; L136-M140 VanDerWaalsContact O-CG 3.29Å; L136-M140 WeakPolarHBondContact O-CG 3.29Å; L136-M140 PolarHBondContact O-N 3.47Å; L136-F183 HydrophobicContact CB-CD2 3.91Å; L136-F183 HydrophobicContact CB-CE2 3.71Å; L136-F183 HydrophobicContact CD1-CE2 3.99Å
137	S	97.5	Very high	97.1	Very high	5 Å²	5	17.6 Å²	17.6	4%	0.035	9%	0.093	C	C	.	.	H	α-helix	trans	-62.7	-27.5	171.8	62.4	0	0	0	0	112.9	A133 G134 A135 M140 A141	A133-S137 PolarHBondContact O-N 2.91Å; G134-S137 PolarHBondContact O-OG 3.13Å; A135-S137 VanDerWaalsContact C-N 3.32Å; A135-S137 PolarHBondContact O-N 3.48Å; S137-M140 PolarHBondContact O-N 2.72Å; S137-A141 PolarHBondContact O-N 2.91Å; S137-A141 VanDerWaalsContact O-N 3.14Å
138	V	97.8	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.8	-57.3	178.5	176.6	0	0	0	0	112.4	L44 A135 L136 M140 A141 A159 L163	L44-V138 HydrophobicContact CD2-CG1 4.37Å; A135-V138 WeakPolarHBondContact O-CB 3.38Å; A135-V138 PolarHBondContact O-N 3.45Å; L136-V138 PolarHBondContact O-N 3.32Å; V138-M140 PolarHBondContact O-N 3.44Å; V138-A141 WeakPolarHBondContact O-CB 3.46Å; V138-A141 PolarHBondContact O-N 3.47Å; V138-A159 HydrophobicContact CG1-CB 4.15Å; V138-A159 WeakPolarHBondContact CG1-O 3.43Å; V138-A159 WeakPolarHBondContact O-CB 3.44Å; V138-L163 HydrophobicContact CG1-CB 4.05Å; V138-L163 HydrophobicContact CG1-CD1 4.34Å; V138-L163 HydrophobicContact CG2-CB 4.38Å; V138-L163 HydrophobicContact CG2-CD1 4.3Å
139	P	97.4	Very high	97	Very high	9 Å²	9	20.4 Å²	20.4	6%	0.058	11%	0.105	C	C	.	.	H	α-helix	trans	-65.5	-25.2	175.7	24.9	-34.2	0	0	0	113.1	L41 A135 L136 Y142 Q143	L41-P139 HydrophobicContact CD1-CB 3.46Å; L41-P139 VanDerWaalsContact CD1-CB 3.46Å; L41-P139 HydrophobicContact CG-CB 4.35Å; A135-P139 WeakPolarHBondContact O-CD 3.29Å; L136-P139 VanDerWaalsContact O-CD 3.23Å; L136-P139 WeakPolarHBondContact O-CD 3.34Å; L136-P139 VanDerWaalsContact O-CG 3.29Å; L136-P139 WeakPolarHBondContact O-CG 3.14Å; P139-Y142 WeakPolarHBondContact O-CB 3.38Å; P139-Y142 PolarHBondContact O-N 2.99Å; P139-Q143 WeakPolarHBondContact O-CG 3.38Å; P139-Q143 PolarHBondContact O-N 2.89Å; P139-Q143 VanDerWaalsContact O-N 3.12Å
140	M	97.3	Very high	97	Very high	24 Å²	24	19.1 Å²	19.1	12%	0.118	10%	0.097	C	C	.	.	H	α-helix	trans	-64.3	-40	172.9	-75.5	-179.2	168.9	0	0	112.2	L136 S137 V138 Y142 Q143 I144 F183 L186 L187 L190	L136-M140 VanDerWaalsContact O-CG 3.29Å; L136-M140 WeakPolarHBondContact O-CG 3.29Å; L136-M140 PolarHBondContact O-N 3.47Å; S137-M140 PolarHBondContact O-N 2.72Å; V138-M140 PolarHBondContact O-N 3.44Å; M140-Y142 VanDerWaalsContact C-N 3.31Å; M140-Y142 PolarHBondContact O-N 3.39Å; M140-Q143 PolarHBondContact O-N 3.24Å; M140-Q143 VanDerWaalsContact O-N 3.16Å; M140-I144 VanDerWaalsContact O-CG1 3.29Å; M140-I144 WeakPolarHBondContact O-CG1 3.48Å; M140-I144 PolarHBondContact O-N 2.91Å; M140-F183 HydrophobicContact CE-CD2 3.93Å; M140-F183 HydrophobicContact CE-CE2 3.3Å; M140-F183 HydrophobicContact CE-CZ 3.86Å; M140-F183 HydrophobicContact SD-CD2 3.85Å; M140-F183 HydrophobicContact SD-CE2 3.87Å; M140-L186 HydrophobicContact CB-CB 4.33Å; M140-L186 HydrophobicContact SD-CB 4.22Å; M140-L187 HydrophobicContact CE-CB 3.8Å; M140-L187 HydrophobicContact CE-CD1 3.59Å; M140-L187 HydrophobicContact CE-CG 4.15Å; M140-L187 HydrophobicContact SD-CB 4.17Å; M140-L190 HydrophobicContact CB-CD2 4.4Å; M140-L190 HydrophobicContact CG-CD2 4.05Å
141	A	97.6	Very high	96.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.5	-45.5	175.8	0	0	0	0	0	112.2	S137 V138 Q143 I144 V145 M162 L675	S137-A141 PolarHBondContact O-N 2.91Å; S137-A141 VanDerWaalsContact O-N 3.14Å; V138-A141 WeakPolarHBondContact O-CB 3.46Å; V138-A141 PolarHBondContact O-N 3.47Å; A141-Q143 VanDerWaalsContact C-N 3.35Å; A141-Q143 PolarHBondContact O-N 2.94Å; A141-I144 PolarHBondContact O-N 3.18Å; A141-V145 WeakPolarHBondContact O-CG2 3.27Å; A141-V145 PolarHBondContact O-N 3.41Å; A141-M162 HydrophobicContact CB-CG 4.3Å; A141-M162 HydrophobicContact CB-SD 3.43Å; A141-M162 WeakPolarHBondContact CB-SD 3.45Å; A141-L675 HydrophobicContact CB-CD2 3.63Å
142	Y	97.7	Very high	96.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.6	-49.7	174.2	176.6	-98.1	0	0	0	111.3	N40 L41 L44 P139 M140 V145 L146 H152 A155 M156	N40-Y142 HydrophobicContact CB-CE2 4.31Å; N40-Y142 PolarHBondContact ND2-OH 3.42Å; L41-Y142 HydrophobicContact CD1-CD1 4.18Å; L44-Y142 HydrophobicContact CD1-CD2 3.77Å; L44-Y142 HydrophobicContact CD1-CG 3.79Å; P139-Y142 WeakPolarHBondContact O-CB 3.38Å; P139-Y142 PolarHBondContact O-N 2.99Å; M140-Y142 VanDerWaalsContact C-N 3.31Å; M140-Y142 PolarHBondContact O-N 3.39Å; Y142-V145 PolarHBondContact O-N 3.49Å; Y142-L146 HydrophobicContact CD1-CD1 3.78Å; Y142-L146 HydrophobicContact CD1-CG 4.49Å; Y142-L146 HydrophobicContact CE1-CD1 3.21Å; Y142-L146 HydrophobicContact CE1-CG 4.21Å; Y142-L146 HydrophobicContact CE2-CD1 4.36Å; Y142-L146 WeakPolarHBondContact O-CG 3.23Å; Y142-L146 PolarHBondContact O-N 3Å; Y142-L146 VanDerWaalsContact O-N 3.14Å; Y142-H152 AromaticContact CZ-ND1 3.84Å; Y142-H152 PolarHBondContact OH-ND1 3.28Å; Y142-A155 VanDerWaalsContact CD2-C 3.45Å; Y142-A155 HydrophobicContact CD2-CB 3.54Å; Y142-A155 HydrophobicContact CE2-CB 3.75Å; Y142-A155 HydrophobicContact CG-CB 4.18Å; Y142-A155 WeakPolarHBondContact O-CB 2.98Å; Y142-M156 HydrophobicContact CE2-CB 4.45Å; Y142-M156 HydrophobicContact CE2-CE 4.29Å
143	Q	97.2	Very high	96.7	Very high	28 Å²	28	28.9 Å²	28.9	13%	0.131	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-40.8	-178.7	-70.7	-74.5	-37.5	0	0	112.2	L41 P139 M140 A141 V145 L146 E147 L190	L41-Q143 HydrophobicContact CD1-CG 3.82Å; P139-Q143 WeakPolarHBondContact O-CG 3.38Å; P139-Q143 PolarHBondContact O-N 2.89Å; P139-Q143 VanDerWaalsContact O-N 3.12Å; M140-Q143 PolarHBondContact O-N 3.24Å; M140-Q143 VanDerWaalsContact O-N 3.16Å; A141-Q143 VanDerWaalsContact C-N 3.35Å; A141-Q143 PolarHBondContact O-N 2.94Å; Q143-V145 VanDerWaalsContact C-N 3.35Å; Q143-V145 PolarHBondContact O-N 3.08Å; Q143-L146 PolarHBondContact O-N 2.71Å; Q143-E147 VanDerWaalsContact O-CG 3.29Å; Q143-E147 WeakPolarHBondContact O-CG 3.32Å; Q143-E147 PolarHBondContact O-N 3.26Å; Q143-L190 HydrophobicContact CB-CD1 3.59Å; Q143-L190 HydrophobicContact CB-CD2 3.89Å; Q143-L190 HydrophobicContact CB-CG 4.41Å
144	I	97.9	Very high	96.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-47.4	178.9	-71.1	166.2	0	0	0	110.6	M140 A141 L146 E147 L148 L186 V189 L190 L193 L642 L675	M140-I144 VanDerWaalsContact O-CG1 3.29Å; M140-I144 WeakPolarHBondContact O-CG1 3.48Å; M140-I144 PolarHBondContact O-N 2.91Å; A141-I144 PolarHBondContact O-N 3.18Å; I144-L146 VanDerWaalsContact C-N 3.31Å; I144-L146 PolarHBondContact O-N 2.87Å; I144-E147 PolarHBondContact O-N 3.12Å; I144-L148 HydrophobicContact CG2-CD1 4.3Å; I144-L148 WeakPolarHBondContact O-CG 3.23Å; I144-L148 PolarHBondContact O-N 3.32Å; I144-L186 HydrophobicContact CD1-CB 4.05Å; I144-L186 HydrophobicContact CD1-CD2 3.76Å; I144-L186 HydrophobicContact CD1-CG 4.46Å; I144-V189 HydrophobicContact CD1-CB 4.45Å; I144-V189 HydrophobicContact CD1-CG1 4.06Å; I144-V189 HydrophobicContact CG1-CG1 4.22Å; I144-V189 HydrophobicContact CG2-CG1 4.13Å; I144-L190 HydrophobicContact CD1-CB 4.34Å; I144-L190 HydrophobicContact CG1-CB 3.79Å; I144-L190 HydrophobicContact CG1-CD1 4.03Å; I144-L190 HydrophobicContact CG1-CG 4.43Å; I144-L193 HydrophobicContact CG2-CD1 3.92Å; I144-L642 HydrophobicContact CG2-CD2 3.88Å; I144-L675 HydrophobicContact CD1-CD1 4.34Å; I144-L675 HydrophobicContact CG2-CD1 4.16Å
145	V	97.6	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.1	-34.7	-179.7	176.6	0	0	0	0	111.8	A141 Y142 Q143 L148 F150 T154 A155 A158 L675 I679	A141-V145 WeakPolarHBondContact O-CG2 3.27Å; A141-V145 PolarHBondContact O-N 3.41Å; Y142-V145 PolarHBondContact O-N 3.49Å; Q143-V145 VanDerWaalsContact C-N 3.35Å; Q143-V145 PolarHBondContact O-N 3.08Å; V145-L148 PolarHBondContact O-N 2.91Å; V145-F150 HydrophobicContact CG1-CB 3.75Å; V145-F150 PolarHBondContact O-N 3.21Å; V145-T154 HydrophobicContact CG1-CG2 3.99Å; V145-A155 HydrophobicContact CB-CB 3.94Å; V145-A155 HydrophobicContact CG1-CB 3.92Å; V145-A158 HydrophobicContact CG2-CB 3.76Å; V145-L675 HydrophobicContact CG2-CD2 4.2Å; V145-I679 HydrophobicContact CG1-CG1 4.34Å; V145-I679 HydrophobicContact CG2-CD1 4.45Å
146	L	96.4	Very high	96.5	Very high	31 Å²	31	31 Å²	31	16%	0.162	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-42.3	172.8	-72.9	-177.9	0	0	0	112.9	Y142 Q143 I144 L148 H149 H152 A155	Y142-L146 HydrophobicContact CD1-CD1 3.78Å; Y142-L146 HydrophobicContact CD1-CG 4.49Å; Y142-L146 HydrophobicContact CE1-CD1 3.21Å; Y142-L146 HydrophobicContact CE1-CG 4.21Å; Y142-L146 HydrophobicContact CE2-CD1 4.36Å; Y142-L146 WeakPolarHBondContact O-CG 3.23Å; Y142-L146 PolarHBondContact O-N 3Å; Y142-L146 VanDerWaalsContact O-N 3.14Å; Q143-L146 PolarHBondContact O-N 2.71Å; I144-L146 VanDerWaalsContact C-N 3.31Å; I144-L146 PolarHBondContact O-N 2.87Å; L146-L148 PolarHBondContact O-N 3.35Å; L146-H149 WeakPolarHBondContact O-CA 3.46Å; L146-H149 PolarHBondContact O-N 3.28Å; L146-H152 WeakPolarHBondContact CD2-ND1 3.34Å; L146-A155 HydrophobicContact CD2-CB 3.79Å; L146-A155 HydrophobicContact CG-CB 3.74Å
147	E	95.7	Very high	96.4	Very high	35 Å²	35	28.1 Å²	28.1	16%	0.164	15%	0.151	C	C	.	.	H	α-helix	trans	-69.7	-16.1	177.8	-64.1	-65.1	159.9	0	0	112.5	Q143 I144 L190 L193 K194 N197	Q143-E147 VanDerWaalsContact O-CG 3.29Å; Q143-E147 WeakPolarHBondContact O-CG 3.32Å; Q143-E147 PolarHBondContact O-N 3.26Å; I144-E147 PolarHBondContact O-N 3.12Å; E147-L190 HydrophobicContact CG-CD1 4.03Å; E147-L193 HydrophobicContact CB-CB 3.78Å; E147-L193 HydrophobicContact CB-CD1 4.24Å; E147-K194 HydrophobicContact CG-CG 3.88Å; E147-K194 WeakPolarHBondContact OE1-CG 3.49Å; E147-K194 IonicContact OE1-NZ 3.18Å; E147-K194 PolarHBondContact OE1-NZ 3.19Å; E147-N197 PolarHBondContact O-ND2 3.27Å; E147-N197 PolarHBondContact OE2-ND2 3.32Å
148	L	95.8	Very high	96.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	5.1	166.9	-69.4	172.5	0	0	0	113.4	I144 V145 L146 F150 L193 L638 A639 L642 I679	I144-L148 HydrophobicContact CG2-CD1 4.3Å; I144-L148 WeakPolarHBondContact O-CG 3.23Å; I144-L148 PolarHBondContact O-N 3.32Å; V145-L148 PolarHBondContact O-N 2.91Å; L146-L148 PolarHBondContact O-N 3.35Å; L148-F150 HydrophobicContact CB-CD2 3.76Å; L148-F150 HydrophobicContact CB-CE2 4.09Å; L148-F150 WeakPolarHBondContact O-CD2 3.29Å; L148-F150 PolarHBondContact O-N 2.97Å; L148-L193 HydrophobicContact CD2-CD1 4.13Å; L148-L193 HydrophobicContact CD2-CD2 4.07Å; L148-L193 HydrophobicContact CG-CD1 4.08Å; L148-L638 HydrophobicContact CD2-CD2 4.08Å; L148-L638 HydrophobicContact CD2-CG 3.92Å; L148-A639 HydrophobicContact CD1-CB 4.25Å; L148-L642 HydrophobicContact CD1-CD2 3.88Å; L148-L642 HydrophobicContact CD2-CD2 4.36Å; L148-L642 HydrophobicContact CG-CD2 4.49Å; L148-I679 HydrophobicContact CD1-CD1 4.04Å
149	H	94.7	Very high	96.4	Very high	103 Å²	103	27.9 Å²	27.9	48%	0.477	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	28.3	179.4	-56.5	-72.7	0	0	0	115.2	L146 N197 H635	L146-H149 WeakPolarHBondContact O-CA 3.46Å; L146-H149 PolarHBondContact O-N 3.28Å; H149-N197 PolarHBondContact NE2-OD1 2.94Å; H149-H635 AromaticContact CD2-CD2 3.77Å; H149-H635 AromaticContact CD2-NE2 3.47Å; H149-H635 PolarHBondContact CD2-NE2 3.38Å; H149-H635 AromaticContact CG-NE2 3.8Å
150	F	95.2	Very high	96.4	Very high	29 Å²	29	30.2 Å²	30.2	13%	0.127	16%	0.162	C	C	.	.			trans	-91.5	167.9	171.4	-72.9	-89.5	0	0	0	112.5	V145 L148 T154 A639 I679	V145-F150 HydrophobicContact CG1-CB 3.75Å; V145-F150 PolarHBondContact O-N 3.21Å; L148-F150 HydrophobicContact CB-CD2 3.76Å; L148-F150 HydrophobicContact CB-CE2 4.09Å; L148-F150 WeakPolarHBondContact O-CD2 3.29Å; L148-F150 PolarHBondContact O-N 2.97Å; F150-T154 HydrophobicContact CB-CG2 4.33Å; F150-A639 HydrophobicContact CE2-CB 3.77Å; F150-A639 HydrophobicContact CZ-CB 4.14Å; F150-I679 HydrophobicContact CD1-CG1 4.48Å; F150-I679 HydrophobicContact CD1-CG2 4.28Å; F150-I679 HydrophobicContact CD2-CD1 4.42Å; F150-I679 HydrophobicContact CD2-CG1 4.27Å; F150-I679 HydrophobicContact CE1-CG2 3.65Å; F150-I679 HydrophobicContact CE2-CD1 4.43Å; F150-I679 HydrophobicContact CE2-CG1 4.43Å; F150-I679 HydrophobicContact CE2-CG2 4.05Å; F150-I679 HydrophobicContact CG-CG1 4.3Å; F150-I679 HydrophobicContact CZ-CG2 3.52Å
151	S	95.1	Very high	96.4	Very high	45 Å²	45	29.1 Å²	29.1	32%	0.315	16%	0.156	S	C	.	.			trans	-67.3	154.8	-174.1	83.7	0	0	0	0	113.1	C153 T154 A155 Q682	S151-C153 PolarHBondContact O-N 3.04Å; S151-C153 PolarHBondContact OG-N 3.41Å; S151-T154 WeakPolarHBondContact O-CB 3.43Å; S151-T154 PolarHBondContact O-N 2.91Å; S151-T154 VanDerWaalsContact O-N 3.09Å; S151-T154 PolarHBondContact OG-N 3.39Å; S151-T154 PolarHBondContact OG-OG1 2.87Å; S151-A155 PolarHBondContact O-N 2.72Å; S151-Q682 VanDerWaalsContact N-OE1 3.13Å; S151-Q682 PolarHBondContact OG-OE1 2.92Å
152	H	94.8	Very high	96.4	Very high	111 Å²	111	29.1 Å²	29.1	51%	0.514	16%	0.156	S	C	.	.	H	α-helix	trans	-59	-32.1	173.3	-73.5	-76.7	0	0	0	113.3	Y142 L146 M156	Y142-H152 AromaticContact CZ-ND1 3.84Å; Y142-H152 PolarHBondContact OH-ND1 3.28Å; L146-H152 WeakPolarHBondContact CD2-ND1 3.34Å; H152-M156 VanDerWaalsContact O-CB 3.28Å; H152-M156 WeakPolarHBondContact O-CB 3.32Å; H152-M156 PolarHBondContact O-N 3.48Å
153	C	94.2	Very high	96.4	Very high	106 Å²	106	29.8 Å²	29.8	72%	0.716	16%	0.16	S	C	*	.	H	α-helix	trans	-64.5	-43.3	174.5	-88	0	0	0	0	111.4	S151 M156 G157	S151-C153 PolarHBondContact O-N 3.04Å; S151-C153 PolarHBondContact OG-N 3.41Å; C153-M156 PolarHBondContact O-N 2.83Å; C153-G157 PolarHBondContact O-N 3Å
154	T	95.7	Very high	96.4	Very high	13 Å²	13	29.6 Å²	29.6	8%	0.08	16%	0.159	C	C	.	.	H	α-helix	trans	-66	-44.4	178.9	-53.8	0	0	0	0	111.4	V145 F150 S151 M156 G157 A158 P678 I679 Q682	V145-T154 HydrophobicContact CG1-CG2 3.99Å; F150-T154 HydrophobicContact CB-CG2 4.33Å; S151-T154 WeakPolarHBondContact O-CB 3.43Å; S151-T154 PolarHBondContact O-N 2.91Å; S151-T154 VanDerWaalsContact O-N 3.09Å; S151-T154 PolarHBondContact OG-N 3.39Å; S151-T154 PolarHBondContact OG-OG1 2.87Å; T154-M156 VanDerWaalsContact C-N 3.34Å; T154-M156 PolarHBondContact O-N 3.45Å; T154-G157 PolarHBondContact O-N 2.87Å; T154-A158 PolarHBondContact O-N 2.66Å; T154-P678 VanDerWaalsContact CG2-C 3.45Å; T154-P678 HydrophobicContact CG2-CB 3.63Å; T154-P678 WeakPolarHBondContact CG2-O 3.15Å; T154-P678 WeakPolarHBondContact O-CB 3.44Å; T154-I679 HydrophobicContact CG2-CG1 4.28Å; T154-Q682 HydrophobicContact CG2-CB 4.17Å; T154-Q682 WeakPolarHBondContact OG1-CB 3.42Å; T154-Q682 PolarHBondContact OG1-OE1 2.84Å
155	A	97	Very high	96.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-42.6	174.6	0	0	0	0	0	112.1	Y142 V145 L146 S151 G157 A158 A159	Y142-A155 VanDerWaalsContact CD2-C 3.45Å; Y142-A155 HydrophobicContact CD2-CB 3.54Å; Y142-A155 HydrophobicContact CE2-CB 3.75Å; Y142-A155 HydrophobicContact CG-CB 4.18Å; Y142-A155 WeakPolarHBondContact O-CB 2.98Å; V145-A155 HydrophobicContact CB-CB 3.94Å; V145-A155 HydrophobicContact CG1-CB 3.92Å; L146-A155 HydrophobicContact CD2-CB 3.79Å; L146-A155 HydrophobicContact CG-CB 3.74Å; S151-A155 PolarHBondContact O-N 2.72Å; A155-G157 VanDerWaalsContact C-N 3.32Å; A155-A158 PolarHBondContact O-N 2.86Å; A155-A159 PolarHBondContact O-N 3.39Å; A155-A159 VanDerWaalsContact O-N 3.17Å
156	M	96.4	Very high	96.3	Very high	44 Å²	44	29.7 Å²	29.7	22%	0.217	16%	0.16	C	C	.	.	H	α-helix	trans	-61.7	-43.1	174.8	-176.5	61	68.3	0	0	110.7	N40 L44 Y142 H152 C153 T154 A158 A159 L160	N40-M156 HydrophobicContact CB-CE 3.62Å; L44-M156 HydrophobicContact CD1-CE 4.07Å; L44-M156 HydrophobicContact CD1-SD 3.88Å; L44-M156 HydrophobicContact CD2-SD 3.71Å; L44-M156 HydrophobicContact CG-CE 4.28Å; L44-M156 HydrophobicContact CG-SD 3.95Å; Y142-M156 HydrophobicContact CE2-CB 4.45Å; Y142-M156 HydrophobicContact CE2-CE 4.29Å; H152-M156 VanDerWaalsContact O-CB 3.28Å; H152-M156 WeakPolarHBondContact O-CB 3.32Å; H152-M156 PolarHBondContact O-N 3.48Å; C153-M156 PolarHBondContact O-N 2.83Å; T154-M156 VanDerWaalsContact C-N 3.34Å; T154-M156 PolarHBondContact O-N 3.45Å; M156-A158 PolarHBondContact O-N 3Å; M156-A159 PolarHBondContact O-N 2.96Å; M156-L160 HydrophobicContact CG-CD1 3.9Å; M156-L160 HydrophobicContact CG-CG 4.26Å; M156-L160 WeakPolarHBondContact O-CB 3.29Å; M156-L160 VanDerWaalsContact O-CG 3.29Å; M156-L160 WeakPolarHBondContact O-CG 3.45Å; M156-L160 PolarHBondContact O-N 3.41Å; M156-L160 HydrophobicContact SD-CD1 4.37Å; M156-L160 HydrophobicContact SD-CG 4.22Å
157	G	96.4	Very high	96.3	Very high	6 Å²	6	28.2 Å²	28.2	6%	0.062	15%	0.152	C	C	.	.	H	α-helix	trans	-54.9	-49.6	174.5	0	0	0	0	0	112.7	C153 T154 A155 A159 L160 L161 Y706	C153-G157 PolarHBondContact O-N 3Å; T154-G157 PolarHBondContact O-N 2.87Å; A155-G157 VanDerWaalsContact C-N 3.32Å; G157-A159 VanDerWaalsContact C-N 3.34Å; G157-A159 PolarHBondContact O-N 3.47Å; G157-L160 PolarHBondContact O-N 3.2Å; G157-L161 VanDerWaalsContact O-CG 3.32Å; G157-L161 WeakPolarHBondContact O-CG 3.37Å; G157-L161 PolarHBondContact O-N 3.46Å; G157-Y706 WeakPolarHBondContact CA-OH 3.45Å; G157-Y706 PolarHBondContact O-OH 2.88Å; G157-Y706 VanDerWaalsContact O-OH 3.12Å
158	A	97.5	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-43.4	179.7	0	0	0	0	0	112.5	V145 T154 A155 M156 L161 M162 L675 P678	V145-A158 HydrophobicContact CG2-CB 3.76Å; T154-A158 PolarHBondContact O-N 2.66Å; A155-A158 PolarHBondContact O-N 2.86Å; M156-A158 PolarHBondContact O-N 3Å; A158-L161 PolarHBondContact O-N 3.36Å; A158-M162 PolarHBondContact O-N 3.35Å; A158-M162 VanDerWaalsContact O-N 3.12Å; A158-L675 HydrophobicContact CB-CD2 4.23Å; A158-P678 HydrophobicContact CB-CG 3.98Å
159	A	97.6	Very high	96.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.5	-41	177.1	0	0	0	0	0	112.6	L44 V138 A155 M156 G157 L161 M162 L163	L44-A159 HydrophobicContact CD1-CB 3.62Å; L44-A159 HydrophobicContact CD2-CB 3.82Å; L44-A159 HydrophobicContact CG-CB 4.33Å; V138-A159 HydrophobicContact CG1-CB 4.15Å; V138-A159 WeakPolarHBondContact CG1-O 3.43Å; V138-A159 WeakPolarHBondContact O-CB 3.44Å; A155-A159 PolarHBondContact O-N 3.39Å; A155-A159 VanDerWaalsContact O-N 3.17Å; M156-A159 PolarHBondContact O-N 2.96Å; G157-A159 VanDerWaalsContact C-N 3.34Å; G157-A159 PolarHBondContact O-N 3.47Å; A159-L161 VanDerWaalsContact C-N 3.33Å; A159-L161 PolarHBondContact O-N 2.9Å; A159-M162 PolarHBondContact O-N 2.9Å; A159-L163 WeakPolarHBondContact O-CB 3.36Å; A159-L163 PolarHBondContact O-N 3.11Å
160	L	97	Very high	96.5	Very high	59 Å²	59	22.4 Å²	22.4	31%	0.309	13%	0.126	S	C	.	.	H	α-helix	trans	-63.1	-39.3	176.6	-72.7	174.4	0	0	0	111.8	L44 M156 G157 L163 I164 Y706	L44-L160 HydrophobicContact CD2-CD2 4.41Å; M156-L160 HydrophobicContact CG-CD1 3.9Å; M156-L160 HydrophobicContact CG-CG 4.26Å; M156-L160 WeakPolarHBondContact O-CB 3.29Å; M156-L160 VanDerWaalsContact O-CG 3.29Å; M156-L160 WeakPolarHBondContact O-CG 3.45Å; M156-L160 PolarHBondContact O-N 3.41Å; M156-L160 HydrophobicContact SD-CD1 4.37Å; M156-L160 HydrophobicContact SD-CG 4.22Å; G157-L160 PolarHBondContact O-N 3.2Å; L160-L163 HydrophobicContact CD2-CD2 4.19Å; L160-L163 WeakPolarHBondContact O-CB 3.3Å; L160-L163 PolarHBondContact O-N 3.01Å; L160-I164 WeakPolarHBondContact O-CG1 3.39Å; L160-I164 PolarHBondContact O-N 3.05Å; L160-I164 VanDerWaalsContact O-N 3.08Å; L160-Y706 HydrophobicContact CB-CE1 4.36Å
161	L	97.8	Very high	96.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-45.2	175.1	-67.1	173.4	0	0	0	111.9	G157 A158 A159 L163 I164 E165 I599 I674 L677 P678 W705 Y706	G157-L161 VanDerWaalsContact O-CG 3.32Å; G157-L161 WeakPolarHBondContact O-CG 3.37Å; G157-L161 PolarHBondContact O-N 3.46Å; A158-L161 PolarHBondContact O-N 3.36Å; A159-L161 VanDerWaalsContact C-N 3.33Å; A159-L161 PolarHBondContact O-N 2.9Å; L161-L163 VanDerWaalsContact C-N 3.27Å; L161-L163 PolarHBondContact O-N 3.34Å; L161-I164 PolarHBondContact O-N 2.85Å; L161-E165 WeakPolarHBondContact O-CB 3.47Å; L161-E165 PolarHBondContact O-N 3.08Å; L161-I599 HydrophobicContact CD2-CD1 3.97Å; L161-I599 HydrophobicContact CD2-CG1 4.04Å; L161-I674 HydrophobicContact CB-CG2 3.55Å; L161-I674 HydrophobicContact CD1-CG2 4.35Å; L161-L677 HydrophobicContact CD1-CD2 3.88Å; L161-L677 HydrophobicContact CD1-CG 4.27Å; L161-P678 HydrophobicContact CD1-CG 3.79Å; L161-W705 HydrophobicContact CD1-CH2 3.96Å; L161-W705 HydrophobicContact CD1-CZ3 4.42Å; L161-W705 HydrophobicContact CD2-CH2 3.41Å; L161-W705 VanDerWaalsContact CD2-CH2 3.41Å; L161-W705 HydrophobicContact CD2-CZ2 4.38Å; L161-W705 HydrophobicContact CD2-CZ3 3.88Å; L161-W705 HydrophobicContact CG-CH2 4.3Å; L161-Y706 HydrophobicContact CD1-CE1 4.46Å; L161-Y706 HydrophobicContact CD2-CD1 4.16Å; L161-Y706 HydrophobicContact CD2-CE1 3.54Å; L161-Y706 HydrophobicContact CG-CE1 3.71Å
162	M	97.1	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.8	-33.2	173.8	-77.1	-165.5	60.7	0	0	112.8	R52 A141 A158 A159 L168 L186 T671 I674	R52-M162 PolarHBondContact NH2-O 3.38Å; A141-M162 HydrophobicContact CB-CG 4.3Å; A141-M162 HydrophobicContact CB-SD 3.43Å; A141-M162 WeakPolarHBondContact CB-SD 3.45Å; A158-M162 PolarHBondContact O-N 3.35Å; A158-M162 VanDerWaalsContact O-N 3.12Å; A159-M162 PolarHBondContact O-N 2.9Å; M162-L168 HydrophobicContact CE-CD1 4.13Å; M162-L168 HydrophobicContact CG-CD1 4.4Å; M162-L186 HydrophobicContact CE-CD1 3.76Å; M162-L186 HydrophobicContact SD-CD1 4.3Å; M162-T671 HydrophobicContact CE-CG2 4.27Å; M162-I674 HydrophobicContact CG-CB 4.44Å; M162-I674 HydrophobicContact CG-CG2 3.68Å
163	L	97.3	Very high	96.6	Very high	14 Å²	14	14 Å²	14	7%	0.073	8%	0.082	C	C	.	.	H	α-helix	trans	-64	-43.3	178	-179.7	67.9	0	0	0	111.6	L47 T51 R52 V138 A159 L160 L161 I169	L47-L163 HydrophobicContact CB-CD1 4.24Å; L47-L163 HydrophobicContact CB-CD2 3.97Å; L47-L163 HydrophobicContact CD1-CD2 4.38Å; T51-L163 HydrophobicContact CG2-CD1 3.98Å; T51-L163 WeakPolarHBondContact OG1-CD1 3.27Å; R52-L163 PolarHBondContact NH1-O 2.96Å; V138-L163 HydrophobicContact CG1-CB 4.05Å; V138-L163 HydrophobicContact CG1-CD1 4.34Å; V138-L163 HydrophobicContact CG2-CB 4.38Å; V138-L163 HydrophobicContact CG2-CD1 4.3Å; A159-L163 WeakPolarHBondContact O-CB 3.36Å; A159-L163 PolarHBondContact O-N 3.11Å; L160-L163 HydrophobicContact CD2-CD2 4.19Å; L160-L163 WeakPolarHBondContact O-CB 3.3Å; L160-L163 PolarHBondContact O-N 3.01Å; L161-L163 VanDerWaalsContact C-N 3.27Å; L161-L163 PolarHBondContact O-N 3.34Å; L163-I169 WeakPolarHBondContact O-CD1 3.46Å
164	I	97.1	Very high	96.6	Very high	25 Å²	25	9 Å²	9	13%	0.128	5%	0.048	C	C	.	.	H	α-helix	trans	-96.9	0.1	-174.6	72.5	-178.8	0	0	0	114.3	L160 L161 N166 I599 A709 S713	L160-I164 WeakPolarHBondContact O-CG1 3.39Å; L160-I164 PolarHBondContact O-N 3.05Å; L160-I164 VanDerWaalsContact O-N 3.08Å; L161-I164 PolarHBondContact O-N 2.85Å; I164-N166 PolarHBondContact O-N 3.21Å; I164-N166 PolarHBondContact O-OD1 3.06Å; I164-I599 HydrophobicContact CD1-CD1 4.03Å; I164-I599 HydrophobicContact CG1-CD1 3.67Å; I164-A709 HydrophobicContact CD1-CB 4.05Å; I164-S713 WeakPolarHBondContact O-CB 3.49Å; I164-S713 PolarHBondContact O-OG 3.25Å
165	E	97.5	Very high	96.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.			trans	-73.7	104.7	178.4	176.1	49.5	-112.4	0	0	111.6	L161 A167 L168 I169 G595 N596 I599 L670 I674	L161-E165 WeakPolarHBondContact O-CB 3.47Å; L161-E165 PolarHBondContact O-N 3.08Å; E165-A167 VanDerWaalsContact C-N 3.32Å; E165-A167 PolarHBondContact O-N 3.38Å; E165-A167 PolarHBondContact OE1-N 3.4Å; E165-A167 VanDerWaalsContact OE1-N 3.15Å; E165-L168 HydrophobicContact CB-CB 4.45Å; E165-L168 HydrophobicContact CB-CD1 4.1Å; E165-L168 HydrophobicContact CB-CG 4.26Å; E165-L168 HydrophobicContact CG-CB 4.31Å; E165-L168 HydrophobicContact CG-CD1 4.01Å; E165-L168 HydrophobicContact CG-CG 3.81Å; E165-L168 PolarHBondContact O-N 3.2Å; E165-I169 WeakPolarHBondContact O-CG1 3.33Å; E165-I169 PolarHBondContact O-N 2.85Å; E165-I169 VanDerWaalsContact O-N 3.17Å; E165-G595 WeakPolarHBondContact OE1-CA 3.37Å; E165-N596 PolarHBondContact OE1-N 3.08Å; E165-I599 WeakPolarHBondContact OE2-CB 3.38Å; E165-L670 HydrophobicContact CG-CD2 4.32Å; E165-I674 HydrophobicContact CB-CD1 4.22Å; E165-I674 HydrophobicContact CG-CD1 3.98Å
166	N	96.6	Very high	96.4	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-55.4	-40.1	-172.1	-67.8	47	0	0	0	113.6	I164 L168 I169 T170 L594 S713 L716 T720	I164-N166 PolarHBondContact O-N 3.21Å; I164-N166 PolarHBondContact O-OD1 3.06Å; N166-L168 VanDerWaalsContact C-N 3.3Å; N166-L168 PolarHBondContact O-N 3.49Å; N166-I169 PolarHBondContact O-N 3.21Å; N166-I169 VanDerWaalsContact O-N 3.16Å; N166-T170 PolarHBondContact O-N 2.83Å; N166-T170 PolarHBondContact O-OG1 3.14Å; N166-T170 VanDerWaalsContact O-OG1 3.14Å; N166-L594 WeakPolarHBondContact CB-O 3.42Å; N166-S713 PolarHBondContact ND2-O 3.41Å; N166-S713 WeakPolarHBondContact OD1-CA 3.44Å; N166-S713 WeakPolarHBondContact OD1-CB 3.29Å; N166-S713 PolarHBondContact OD1-OG 2.87Å; N166-L716 WeakPolarHBondContact ND2-CB 3.48Å; N166-T720 HydrophobicContact CB-CG2 4.47Å; N166-T720 PolarHBondContact ND2-OG1 3.42Å
167	A	96.6	Very high	96.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-63.3	-38	179.8	0	0	0	0	0	112.1	E165 Q171 L593 L594 W600 L667	E165-A167 VanDerWaalsContact C-N 3.32Å; E165-A167 PolarHBondContact O-N 3.38Å; E165-A167 PolarHBondContact OE1-N 3.4Å; E165-A167 VanDerWaalsContact OE1-N 3.15Å; A167-Q171 WeakPolarHBondContact O-CG 3.15Å; A167-Q171 PolarHBondContact O-N 3.43Å; A167-L593 HydrophobicContact CB-CD1 4.05Å; A167-L594 PolarHBondContact N-O 3Å; A167-W600 HydrophobicContact CB-CZ3 3.98Å; A167-L667 HydrophobicContact CB-CD2 3.82Å
168	L	97	Very high	96.3	Very high	10 Å²	10	6.2 Å²	6.2	5%	0.052	3%	0.032	C	C	.	.	H	α-helix	trans	-70.6	-34.7	176.4	-62.2	-178.9	0	0	0	111.8	M162 E165 N166 S172 I182 L667 T671 I674	M162-L168 HydrophobicContact CE-CD1 4.13Å; M162-L168 HydrophobicContact CG-CD1 4.4Å; E165-L168 HydrophobicContact CB-CB 4.45Å; E165-L168 HydrophobicContact CB-CD1 4.1Å; E165-L168 HydrophobicContact CB-CG 4.26Å; E165-L168 HydrophobicContact CG-CB 4.31Å; E165-L168 HydrophobicContact CG-CD1 4.01Å; E165-L168 HydrophobicContact CG-CG 3.81Å; E165-L168 PolarHBondContact O-N 3.2Å; N166-L168 VanDerWaalsContact C-N 3.3Å; N166-L168 PolarHBondContact O-N 3.49Å; L168-S172 WeakPolarHBondContact O-CB 3.07Å; L168-S172 PolarHBondContact O-N 3.3Å; L168-S172 VanDerWaalsContact O-N 3.12Å; L168-S172 PolarHBondContact O-OG 3.33Å; L168-I182 HydrophobicContact CD2-CD1 3.76Å; L168-L667 HydrophobicContact CD2-CB 4.26Å; L168-L667 HydrophobicContact CD2-CD2 4.38Å; L168-T671 HydrophobicContact CD1-CG2 4.11Å; L168-T671 HydrophobicContact CD2-CG2 4.05Å; L168-I674 HydrophobicContact CD1-CD1 4.26Å
169	I	96.8	Very high	96.2	Very high	7 Å²	7	6.5 Å²	6.5	4%	0.036	3%	0.034	C	C	.	.	H	α-helix	trans	-64.7	-52.7	174	-47.5	-164.8	0	0	0	110.1	L163 E165 N166 Q171 S172 R173 T720 Y721	L163-I169 WeakPolarHBondContact O-CD1 3.46Å; E165-I169 WeakPolarHBondContact O-CG1 3.33Å; E165-I169 PolarHBondContact O-N 2.85Å; E165-I169 VanDerWaalsContact O-N 3.17Å; N166-I169 PolarHBondContact O-N 3.21Å; N166-I169 VanDerWaalsContact O-N 3.16Å; I169-Q171 VanDerWaalsContact C-N 3.28Å; I169-Q171 PolarHBondContact O-N 3.01Å; I169-S172 PolarHBondContact O-N 3.31Å; I169-S172 PolarHBondContact O-OG 3.48Å; I169-S172 VanDerWaalsContact O-OG 3.08Å; I169-R173 HydrophobicContact CG2-CG 4.27Å; I169-R173 WeakPolarHBondContact O-CG 3.41Å; I169-R173 PolarHBondContact O-N 3.33Å; I169-R173 VanDerWaalsContact O-N 3.14Å; I169-T720 HydrophobicContact CB-CG2 3.74Å; I169-T720 HydrophobicContact CG2-CG2 3.81Å; I169-Y721 HydrophobicContact CG2-CE1 4.43Å; I169-Y721 HydrophobicContact CG2-CE2 4.41Å
170	T	95.9	Very high	96.2	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.006	4%	0.035	C	C	.	.	H	α-helix	trans	-55.5	-45.1	-177.8	-58.4	0	0	0	0	111.3	N166 L174 Y581 I591 T720	N166-T170 PolarHBondContact O-N 2.83Å; N166-T170 PolarHBondContact O-OG1 3.14Å; N166-T170 VanDerWaalsContact O-OG1 3.14Å; T170-L174 HydrophobicContact CG2-CD1 4.36Å; T170-L174 WeakPolarHBondContact O-CD1 3.24Å; T170-L174 WeakPolarHBondContact O-CG 3.33Å; T170-Y581 HydrophobicContact CG2-CD2 3.83Å; T170-Y581 HydrophobicContact CG2-CE2 4.12Å; T170-I591 HydrophobicContact CG2-CG2 3.67Å; T170-T720 WeakPolarHBondContact OG1-CG2 3.47Å
171	Q	95.4	Very high	96.2	Very high	1 Å²	1	4 Å²	4	1%	0.005	2%	0.02	C	C	.	.	H	α-helix	trans	-69.2	-39.6	-178.6	-70.4	-76.6	-2.8	0	0	114	A167 I169 R173 Y581 L593 L667	A167-Q171 WeakPolarHBondContact O-CG 3.15Å; A167-Q171 PolarHBondContact O-N 3.43Å; I169-Q171 VanDerWaalsContact C-N 3.28Å; I169-Q171 PolarHBondContact O-N 3.01Å; Q171-R173 VanDerWaalsContact C-N 3.33Å; Q171-Y581 PolarHBondContact NE2-OH 3.48Å; Q171-L593 HydrophobicContact CG-CD1 3.59Å; Q171-L593 VanDerWaalsContact NE2-CD2 3.28Å; Q171-L667 HydrophobicContact CB-CD1 4.37Å; Q171-L667 HydrophobicContact CG-CD1 3.48Å; Q171-L667 VanDerWaalsContact CG-CD1 3.48Å
172	S	96.2	Very high	96.2	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-73.2	-26.6	-178.1	54	0	0	0	0	113.1	R52 P130 A131 L168 I169 L174	R52-S172 VanDerWaalsContact CG-OG 3.23Å; R52-S172 WeakPolarHBondContact CG-OG 3.43Å; P130-S172 CarbonylContact C-O 3.6Å; P130-S172 WeakPolarHBondContact CB-O 3.22Å; A131-S172 WeakPolarHBondContact CA-O 3.47Å; A131-S172 PolarHBondContact N-O 2.93Å; L168-S172 WeakPolarHBondContact O-CB 3.07Å; L168-S172 PolarHBondContact O-N 3.3Å; L168-S172 VanDerWaalsContact O-N 3.12Å; L168-S172 PolarHBondContact O-OG 3.33Å; I169-S172 PolarHBondContact O-N 3.31Å; I169-S172 PolarHBondContact O-OG 3.48Å; I169-S172 VanDerWaalsContact O-OG 3.08Å; S172-L174 VanDerWaalsContact C-N 3.3Å; S172-L174 PolarHBondContact O-N 3.37Å
173	R	95.2	Very high	96.2	Very high	6 Å²	6	5.7 Å²	5.7	2%	0.023	3%	0.028	C	C	.	.	H	α-helix	trans	-75.7	-17.7	-179	-71.2	-174.6	69.4	-108.1	-3.4	114.3	R52 W54 Q55 L56 Y58 R127 I169 Q171 Y721	R52-R173 WeakPolarHBondContact O-CG 3.42Å; W54-R173 PolarHBondContact O-NE 2.94Å; W54-R173 PolarHBondContact O-NH2 3.29Å; Q55-R173 PolarHBondContact O-NH2 3.17Å; Q55-R173 VanDerWaalsContact O-NH2 3.15Å; L56-R173 HydrophobicContact CD1-CB 4.36Å; L56-R173 WeakPolarHBondContact CD1-O 3.41Å; Y58-R173 PolarHBondContact O-NH2 3.44Å; R127-R173 WeakPolarHBondContact CB-O 3.32Å; R127-R173 VanDerWaalsContact CD-O 3.29Å; R127-R173 WeakPolarHBondContact CD-O 3.41Å; R127-R173 WeakPolarHBondContact CG-O 3.37Å; I169-R173 HydrophobicContact CG2-CG 4.27Å; I169-R173 WeakPolarHBondContact O-CG 3.41Å; I169-R173 PolarHBondContact O-N 3.33Å; I169-R173 VanDerWaalsContact O-N 3.14Å; Q171-R173 VanDerWaalsContact C-N 3.33Å; R173-Y721 VanDerWaalsContact CZ-CD1 3.43Å
174	L	94.7	Very high	96.3	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.01	3%	0.031	C	C	.	.	S	Bend	trans	-105.2	167.5	-171.8	-61.9	171.6	0	0	0	110.9	V63 P130 T170 S172 L176 Y581	V63-L174 HydrophobicContact CB-CD1 4.45Å; V63-L174 HydrophobicContact CB-CD2 4.21Å; V63-L174 HydrophobicContact CG1-CD1 3.65Å; V63-L174 HydrophobicContact CG1-CD2 4.16Å; V63-L174 HydrophobicContact CG2-CD2 3.89Å; P130-L174 WeakPolarHBondContact CB-O 3.32Å; P130-L174 WeakPolarHBondContact CG-O 3.38Å; T170-L174 HydrophobicContact CG2-CD1 4.36Å; T170-L174 WeakPolarHBondContact O-CD1 3.24Å; T170-L174 WeakPolarHBondContact O-CG 3.33Å; S172-L174 VanDerWaalsContact C-N 3.3Å; S172-L174 PolarHBondContact O-N 3.37Å; L174-L176 HydrophobicContact CB-CD1 3.77Å; L174-L176 HydrophobicContact CB-CG 3.81Å; L174-L176 HydrophobicContact CD1-CD1 4.05Å; L174-L176 PolarHBondContact O-N 3.35Å; L174-Y581 HydrophobicContact CD1-CD2 3.36Å; L174-Y581 HydrophobicContact CD1-CE2 3.72Å
175	M	94	Very high	96.3	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.026	C	C	.	.	S	Bend	trans	-77.2	64.2	178.1	-172.6	-177	71.1	0	0	110.6	E66 Y69 G70 I73 L95 W110 L126 R127	E66-M175 HydrophobicContact CB-CE 3.96Å; E66-M175 HydrophobicContact CG-CB 3.98Å; E66-M175 HydrophobicContact CG-CE 4.4Å; E66-M175 WeakPolarHBondContact O-CE 3.47Å; E66-M175 PolarHBondContact OE1-N 3.31Å; Y69-M175 WeakPolarHBondContact CD2-O 3.46Å; G70-M175 VanDerWaalsContact CA-CE 3.43Å; G70-M175 VanDerWaalsContact N-CE 3.26Å; I73-M175 HydrophobicContact CD1-CE 4Å; I73-M175 HydrophobicContact CD1-CG 4.11Å; I73-M175 HydrophobicContact CD1-SD 3.27Å; I73-M175 WeakPolarHBondContact CD1-SD 3.44Å; L95-M175 HydrophobicContact CD1-CG 4.06Å; L95-M175 HydrophobicContact CD2-CG 4.15Å; W110-M175 HydrophobicContact CH2-CE 4.01Å; W110-M175 HydrophobicContact CZ3-CE 4.18Å; L126-M175 HydrophobicContact CB-CG 4.45Å; L126-M175 HydrophobicContact CB-SD 3.89Å; L126-M175 HydrophobicContact CD1-SD 4.07Å; L126-M175 HydrophobicContact CD2-SD 4.01Å; L126-M175 HydrophobicContact CG-SD 4.22Å; R127-M175 HydrophobicContact CG-CB 4.37Å
176	L	94.5	Very high	96.3	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.			trans	-125	156.9	-174.1	-58.1	176.9	0	0	0	110.6	D65 Y69 L174 Y581	D65-L176 HydrophobicContact CB-CD2 3.64Å; Y69-L176 HydrophobicContact CD2-CD2 3.91Å; Y69-L176 HydrophobicContact CE2-CD2 3.78Å; L174-L176 HydrophobicContact CB-CD1 3.77Å; L174-L176 HydrophobicContact CB-CG 3.81Å; L174-L176 HydrophobicContact CD1-CD1 4.05Å; L174-L176 PolarHBondContact O-N 3.35Å; L176-Y581 HydrophobicContact CD1-CE2 3.6Å
177	L	94.9	Very high	96.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-92.5	-19.3	-171	-66.2	-176	0	0	0	113.6	Y69 L95 S179 I180 L181 I225	Y69-L177 HydrophobicContact CD1-CD1 4.1Å; Y69-L177 HydrophobicContact CD1-CG 4.23Å; Y69-L177 HydrophobicContact CE1-CD1 3.35Å; Y69-L177 HydrophobicContact CE1-CG 3.67Å; Y69-L177 HydrophobicContact CE2-CG 4.36Å; L95-L177 HydrophobicContact CD1-CD2 3.52Å; L95-L177 HydrophobicContact CD1-CG 4.29Å; L95-L177 HydrophobicContact CG-CD2 3.84Å; L177-S179 VanDerWaalsContact C-N 3.33Å; L177-S179 PolarHBondContact O-N 3.12Å; L177-I180 HydrophobicContact CD2-CD1 4.46Å; L177-I180 PolarHBondContact O-N 3.45Å; L177-L181 PolarHBondContact O-N 2.96Å; L177-I225 HydrophobicContact CB-CG2 4.06Å
178	E	95.4	Very high	96.5	Very high	4 Å²	4	6.5 Å²	6.5	2%	0.019	3%	0.031	C	C	.	.	H	α-helix	trans	-60.6	-41.2	-172.4	-76	60.2	-141.6	0	0	111.9	L181 I182 K226 Y664	E178-L181 PolarHBondContact O-N 3.23Å; E178-I182 WeakPolarHBondContact O-CB 3.44Å; E178-I182 VanDerWaalsContact O-CG1 3.24Å; E178-I182 WeakPolarHBondContact O-CG1 3.48Å; E178-I182 PolarHBondContact O-N 2.88Å; E178-K226 IonicContact OE1-NZ 3.08Å; E178-K226 PolarHBondContact OE1-NZ 3.34Å; E178-Y664 HydrophobicContact CG-CD2 4.25Å; E178-Y664 HydrophobicContact CG-CG 4.5Å
179	S	95.7	Very high	96.5	Very high	5 Å²	5	6.1 Å²	6.1	4%	0.035	3%	0.029	C	C	.	.	H	α-helix	trans	-65.4	-39.7	178.5	57.8	0	0	0	0	112.4	P130 L177 I182 F183	P130-S179 WeakPolarHBondContact CA-OG 3.2Å; P130-S179 WeakPolarHBondContact CB-OG 3.46Å; P130-S179 PolarHBondContact O-OG 3.04Å; L177-S179 VanDerWaalsContact C-N 3.33Å; L177-S179 PolarHBondContact O-N 3.12Å; S179-I182 PolarHBondContact O-N 3.29Å; S179-F183 WeakPolarHBondContact O-CB 3.47Å; S179-F183 PolarHBondContact O-N 2.88Å
180	I	97.1	Very high	96.6	Very high	4 Å²	4	6.3 Å²	6.3	2%	0.021	3%	0.031	C	C	.	.	H	α-helix	trans	-68	-42.4	176.8	-48	-179.3	0	0	0	109.7	L94 L95 L129 P130 A133 L177 F183 F184 I225	L94-I180 HydrophobicContact CD1-CG2 3.87Å; L95-I180 HydrophobicContact CD2-CD1 4.1Å; L129-I180 HydrophobicContact CD2-CD1 4.19Å; L129-I180 HydrophobicContact CG-CD1 4.47Å; P130-I180 HydrophobicContact CG-CD1 4.24Å; P130-I180 HydrophobicContact CG-CG1 4.47Å; A133-I180 HydrophobicContact CB-CG1 4.25Å; L177-I180 HydrophobicContact CD2-CD1 4.46Å; L177-I180 PolarHBondContact O-N 3.45Å; I180-F183 WeakPolarHBondContact O-CB 3.36Å; I180-F183 PolarHBondContact O-N 2.98Å; I180-F184 HydrophobicContact CG2-CD2 3.91Å; I180-F184 HydrophobicContact CG2-CE2 3.74Å; I180-F184 VanDerWaalsContact O-CD2 3.31Å; I180-F184 WeakPolarHBondContact O-CD2 3.29Å; I180-F184 PolarHBondContact O-N 3.46Å; I180-I225 HydrophobicContact CB-CD1 4.14Å; I180-I225 HydrophobicContact CG2-CD1 3.48Å; I180-I225 VanDerWaalsContact CG2-CD1 3.48Å; I180-I225 HydrophobicContact CG2-CG1 4.36Å
181	L	97.5	Very high	96.7	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.01	3%	0.03	C	C	.	.	H	α-helix	trans	-59.5	-49.1	174.7	175.5	64.1	0	0	0	111.6	L177 E178 F183 F184 N185 A222 I225 K226 M228 P668	L177-L181 PolarHBondContact O-N 2.96Å; E178-L181 PolarHBondContact O-N 3.23Å; L181-F183 VanDerWaalsContact C-N 3.31Å; L181-F183 PolarHBondContact O-N 3.49Å; L181-F184 PolarHBondContact O-N 3.17Å; L181-N185 WeakPolarHBondContact O-CB 3.48Å; L181-N185 VanDerWaalsContact O-CG 3.28Å; L181-N185 PolarHBondContact O-N 2.9Å; L181-A222 HydrophobicContact CD1-CB 4.16Å; L181-A222 WeakPolarHBondContact CD1-O 3.43Å; L181-I225 HydrophobicContact CB-CG2 4.07Å; L181-K226 HydrophobicContact CD2-CB 4.35Å; L181-M228 HydrophobicContact CD2-CB 4.03Å; L181-P668 HydrophobicContact CD2-CG 4.12Å
182	I	97.7	Very high	96.8	Very high	5 Å²	5	6.4 Å²	6.4	3%	0.026	3%	0.031	C	C	.	.	H	α-helix	trans	-59.6	-43.3	178.3	-71.3	165.9	0	0	0	110.7	L168 E178 S179 F184 N185 L186 L667 P668 T671	L168-I182 HydrophobicContact CD2-CD1 3.76Å; E178-I182 WeakPolarHBondContact O-CB 3.44Å; E178-I182 VanDerWaalsContact O-CG1 3.24Å; E178-I182 WeakPolarHBondContact O-CG1 3.48Å; E178-I182 PolarHBondContact O-N 2.88Å; S179-I182 PolarHBondContact O-N 3.29Å; I182-F184 PolarHBondContact O-N 3.42Å; I182-N185 PolarHBondContact O-N 2.85Å; I182-L186 HydrophobicContact CG2-CD1 3.84Å; I182-L186 HydrophobicContact CG2-CG 4.32Å; I182-L186 WeakPolarHBondContact O-CG 3.19Å; I182-L186 PolarHBondContact O-N 3.35Å; I182-L667 HydrophobicContact CD1-CB 3.93Å; I182-P668 HydrophobicContact CG1-CG 4.28Å; I182-T671 HydrophobicContact CD1-CG2 4.1Å; I182-T671 HydrophobicContact CG1-CG2 4.3Å; I182-T671 HydrophobicContact CG2-CG2 3.7Å
183	F	98	Very high	96.8	Very high	32 Å²	32	6.5 Å²	6.5	14%	0.14	3%	0.031	C	C	.	.	H	α-helix	trans	-57.4	-50.4	176.1	168.6	-97	0	0	0	112.2	A133 L136 M140 S179 I180 L181 N185 L186 L187	A133-F183 HydrophobicContact CB-CB 3.77Å; A133-F183 HydrophobicContact CB-CG 4.14Å; L136-F183 HydrophobicContact CB-CD2 3.91Å; L136-F183 HydrophobicContact CB-CE2 3.71Å; L136-F183 HydrophobicContact CD1-CE2 3.99Å; M140-F183 HydrophobicContact CE-CD2 3.93Å; M140-F183 HydrophobicContact CE-CE2 3.3Å; M140-F183 HydrophobicContact CE-CZ 3.86Å; M140-F183 HydrophobicContact SD-CD2 3.85Å; M140-F183 HydrophobicContact SD-CE2 3.87Å; S179-F183 WeakPolarHBondContact O-CB 3.47Å; S179-F183 PolarHBondContact O-N 2.88Å; I180-F183 WeakPolarHBondContact O-CB 3.36Å; I180-F183 PolarHBondContact O-N 2.98Å; L181-F183 VanDerWaalsContact C-N 3.31Å; L181-F183 PolarHBondContact O-N 3.49Å; F183-N185 PolarHBondContact O-N 3.46Å; F183-L186 PolarHBondContact O-N 2.92Å; F183-L187 HydrophobicContact CE1-CD2 4.14Å; F183-L187 HydrophobicContact CZ-CD2 4.19Å; F183-L187 VanDerWaalsContact O-CB 3.29Å; F183-L187 WeakPolarHBondContact O-CB 3.47Å; F183-L187 PolarHBondContact O-N 3.42Å
184	F	98.2	Very high	96.8	Very high	31 Å²	31	8 Å²	8	14%	0.136	4%	0.038	C	C	.	.	H	α-helix	trans	-69.4	-32.7	179.7	-78.1	-69.9	0	0	0	113	F90 L94 I180 L181 I182 L187 A188 C221 A222 I225	F90-F184 HydrophobicContact CE1-CE2 4.28Å; F90-F184 HydrophobicContact CE1-CZ 4.32Å; L94-F184 HydrophobicContact CD1-CE2 4.24Å; I180-F184 HydrophobicContact CG2-CD2 3.91Å; I180-F184 HydrophobicContact CG2-CE2 3.74Å; I180-F184 VanDerWaalsContact O-CD2 3.31Å; I180-F184 WeakPolarHBondContact O-CD2 3.29Å; I180-F184 PolarHBondContact O-N 3.46Å; L181-F184 PolarHBondContact O-N 3.17Å; I182-F184 PolarHBondContact O-N 3.42Å; F184-L187 HydrophobicContact CD1-CD2 4.21Å; F184-L187 HydrophobicContact CE1-CD2 4.43Å; F184-L187 PolarHBondContact O-N 2.94Å; F184-A188 WeakPolarHBondContact O-CB 3.4Å; F184-A188 PolarHBondContact O-N 3.23Å; F184-C221 HydrophobicContact CB-CB 4.38Å; F184-C221 HydrophobicContact CD1-CB 3.44Å; F184-C221 VanDerWaalsContact CD1-CB 3.44Å; F184-C221 HydrophobicContact CD2-CB 4Å; F184-C221 HydrophobicContact CE1-CB 3.54Å; F184-C221 HydrophobicContact CE2-CB 4.08Å; F184-C221 HydrophobicContact CG-CB 3.68Å; F184-C221 HydrophobicContact CZ-CB 3.85Å; F184-A222 HydrophobicContact CB-CB 4Å; F184-I225 HydrophobicContact CD2-CD1 3.3Å; F184-I225 HydrophobicContact CE2-CD1 3.77Å; F184-I225 HydrophobicContact CG-CD1 4.3Å
185	N	97.9	Very high	96.9	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.011	4%	0.037	C	C	.	.	H	α-helix	trans	-61	-49.3	172.4	-77.7	-15.9	0	0	0	111.6	L181 I182 F183 A188 V189 A222 T232	L181-N185 WeakPolarHBondContact O-CB 3.48Å; L181-N185 VanDerWaalsContact O-CG 3.28Å; L181-N185 PolarHBondContact O-N 2.9Å; I182-N185 PolarHBondContact O-N 2.85Å; F183-N185 PolarHBondContact O-N 3.46Å; N185-A188 PolarHBondContact O-N 2.96Å; N185-V189 WeakPolarHBondContact O-CG2 3.15Å; N185-V189 PolarHBondContact O-N 3.37Å; N185-V189 VanDerWaalsContact O-N 3.13Å; N185-A222 WeakPolarHBondContact OD1-CB 3.43Å; N185-T232 HydrophobicContact CB-CG2 3.95Å; N185-T232 PolarHBondContact ND2-OG1 3.36Å; N185-T232 WeakPolarHBondContact OD1-CB 3.24Å; N185-T232 PolarHBondContact OD1-OG1 3.12Å
186	L	98	Very high	96.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-68.5	-36.6	178.4	-65.6	175.6	0	0	0	111.8	M140 I144 M162 I182 F183 A188 V189 L190 L675	M140-L186 HydrophobicContact CB-CB 4.33Å; M140-L186 HydrophobicContact SD-CB 4.22Å; I144-L186 HydrophobicContact CD1-CB 4.05Å; I144-L186 HydrophobicContact CD1-CD2 3.76Å; I144-L186 HydrophobicContact CD1-CG 4.46Å; M162-L186 HydrophobicContact CE-CD1 3.76Å; M162-L186 HydrophobicContact SD-CD1 4.3Å; I182-L186 HydrophobicContact CG2-CD1 3.84Å; I182-L186 HydrophobicContact CG2-CG 4.32Å; I182-L186 WeakPolarHBondContact O-CG 3.19Å; I182-L186 PolarHBondContact O-N 3.35Å; F183-L186 PolarHBondContact O-N 2.92Å; L186-A188 VanDerWaalsContact C-N 3.35Å; L186-V189 PolarHBondContact O-N 3.48Å; L186-L190 WeakPolarHBondContact O-CB 3.4Å; L186-L190 PolarHBondContact O-N 3.29Å; L186-L675 HydrophobicContact CD2-CD1 4.1Å
187	L	98.2	Very high	96.9	Very high	22 Å²	22	11.6 Å²	11.6	12%	0.115	6%	0.055	C	C	.	.	H	α-helix	trans	-63.5	-39.9	174.3	-179.5	59.7	0	0	0	111.8	M140 F183 F184 L190 S191 L214	M140-L187 HydrophobicContact CE-CB 3.8Å; M140-L187 HydrophobicContact CE-CD1 3.59Å; M140-L187 HydrophobicContact CE-CG 4.15Å; M140-L187 HydrophobicContact SD-CB 4.17Å; F183-L187 HydrophobicContact CE1-CD2 4.14Å; F183-L187 HydrophobicContact CZ-CD2 4.19Å; F183-L187 VanDerWaalsContact O-CB 3.29Å; F183-L187 WeakPolarHBondContact O-CB 3.47Å; F183-L187 PolarHBondContact O-N 3.42Å; F184-L187 HydrophobicContact CD1-CD2 4.21Å; F184-L187 HydrophobicContact CE1-CD2 4.43Å; F184-L187 PolarHBondContact O-N 2.94Å; L187-L190 PolarHBondContact O-N 2.89Å; L187-S191 WeakPolarHBondContact O-CB 3.29Å; L187-S191 PolarHBondContact O-N 3.47Å; L187-S191 PolarHBondContact O-OG 3.41Å; L187-L214 HydrophobicContact CD1-CD2 4.11Å; L187-L214 HydrophobicContact CD1-CG 4.46Å; L187-L214 HydrophobicContact CD2-CD1 4.44Å
188	A	98.1	Very high	96.7	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.008	6%	0.059	C	C	.	.	H	α-helix	trans	-62.1	-47.6	175.9	0	0	0	0	0	111.6	F184 N185 L186 S191 Y192 S218	F184-A188 WeakPolarHBondContact O-CB 3.4Å; F184-A188 PolarHBondContact O-N 3.23Å; N185-A188 PolarHBondContact O-N 2.96Å; L186-A188 VanDerWaalsContact C-N 3.35Å; A188-S191 PolarHBondContact O-OG 2.82Å; A188-Y192 VanDerWaalsContact O-CB 3.32Å; A188-Y192 WeakPolarHBondContact O-CB 3.06Å; A188-Y192 PolarHBondContact O-N 2.85Å; A188-S218 WeakPolarHBondContact CA-OG 3.35Å; A188-S218 WeakPolarHBondContact CB-OG 3.36Å; A188-S218 PolarHBondContact N-OG 3.46Å
189	V	98	Very high	96.4	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.012	6%	0.064	C	C	.	.	H	α-helix	trans	-61.7	-49.6	175.8	166.3	0	0	0	0	111.4	I144 N185 L186 Y192 L193 T232 V236 L642 F672	I144-V189 HydrophobicContact CD1-CB 4.45Å; I144-V189 HydrophobicContact CD1-CG1 4.06Å; I144-V189 HydrophobicContact CG1-CG1 4.22Å; I144-V189 HydrophobicContact CG2-CG1 4.13Å; N185-V189 WeakPolarHBondContact O-CG2 3.15Å; N185-V189 PolarHBondContact O-N 3.37Å; N185-V189 VanDerWaalsContact O-N 3.13Å; L186-V189 PolarHBondContact O-N 3.48Å; V189-Y192 PolarHBondContact O-N 3.48Å; V189-L193 HydrophobicContact CG1-CD1 4.09Å; V189-L193 WeakPolarHBondContact O-CG 3.22Å; V189-L193 PolarHBondContact O-N 3.03Å; V189-T232 HydrophobicContact CG2-CG2 4.22Å; V189-V236 HydrophobicContact CG2-CG2 4.31Å; V189-L642 HydrophobicContact CB-CD1 4.43Å; V189-L642 HydrophobicContact CG1-CD1 3.49Å; V189-L642 VanDerWaalsContact CG1-CD1 3.49Å; V189-L642 HydrophobicContact CG1-CD2 3.8Å; V189-L642 HydrophobicContact CG1-CG 4.12Å; V189-L642 HydrophobicContact CG2-CD1 4.16Å; V189-F672 HydrophobicContact CG2-CE1 4.05Å; V189-F672 HydrophobicContact CG2-CZ 4.16Å
190	L	98	Very high	95.9	Very high	12 Å²	12	18.3 Å²	18.3	6%	0.063	10%	0.095	C	C	.	.	H	α-helix	trans	-62.2	-47.9	-178	177	58.5	0	0	0	112	M140 Q143 I144 E147 L186 L187 Y192 L193 K194	M140-L190 HydrophobicContact CB-CD2 4.4Å; M140-L190 HydrophobicContact CG-CD2 4.05Å; Q143-L190 HydrophobicContact CB-CD1 3.59Å; Q143-L190 HydrophobicContact CB-CD2 3.89Å; Q143-L190 HydrophobicContact CB-CG 4.41Å; I144-L190 HydrophobicContact CD1-CB 4.34Å; I144-L190 HydrophobicContact CG1-CB 3.79Å; I144-L190 HydrophobicContact CG1-CD1 4.03Å; I144-L190 HydrophobicContact CG1-CG 4.43Å; E147-L190 HydrophobicContact CG-CD1 4.03Å; L186-L190 WeakPolarHBondContact O-CB 3.4Å; L186-L190 PolarHBondContact O-N 3.29Å; L187-L190 PolarHBondContact O-N 2.89Å; L190-Y192 VanDerWaalsContact C-N 3.27Å; L190-Y192 PolarHBondContact O-N 3.47Å; L190-L193 PolarHBondContact O-N 3.43Å; L190-K194 HydrophobicContact CD1-CD 4.44Å; L190-K194 HydrophobicContact CD1-CG 4.3Å; L190-K194 PolarHBondContact O-N 3.02Å
191	S	97.6	Very high	95.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-38.7	178.7	57.1	0	0	0	0	111.2	L187 A188 K194 F195 T215	L187-S191 WeakPolarHBondContact O-CB 3.29Å; L187-S191 PolarHBondContact O-N 3.47Å; L187-S191 PolarHBondContact O-OG 3.41Å; A188-S191 PolarHBondContact O-OG 2.82Å; S191-K194 PolarHBondContact O-N 3.03Å; S191-F195 VanDerWaalsContact O-CB 3.27Å; S191-F195 WeakPolarHBondContact O-CB 3.16Å; S191-F195 PolarHBondContact O-N 3.21Å; S191-T215 WeakPolarHBondContact CB-OG1 3.43Å; S191-T215 WeakPolarHBondContact OG-CA 3.45Å; S191-T215 PolarHBondContact OG-N 3.37Å; S191-T215 PolarHBondContact OG-OG1 3.21Å
192	Y	97.6	Very high	94.8	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-66.3	-42	176.6	-176	-97.8	0	0	0	112.5	A188 V189 L190 F195 F196 T215 V236 I239 A240 H243	A188-Y192 VanDerWaalsContact O-CB 3.32Å; A188-Y192 WeakPolarHBondContact O-CB 3.06Å; A188-Y192 PolarHBondContact O-N 2.85Å; V189-Y192 PolarHBondContact O-N 3.48Å; L190-Y192 VanDerWaalsContact C-N 3.27Å; L190-Y192 PolarHBondContact O-N 3.47Å; Y192-F195 AromaticContact CD2-CD1 3.92Å; Y192-F195 HydrophobicContact CD2-CD1 3.92Å; Y192-F195 HydrophobicContact CD2-CE1 4.39Å; Y192-F195 AromaticContact CE2-CD1 3.8Å; Y192-F195 HydrophobicContact CE2-CD1 3.8Å; Y192-F195 AromaticContact CE2-CE1 3.85Å; Y192-F195 HydrophobicContact CE2-CE1 3.85Å; Y192-F195 WeakPolarHBondContact O-CB 3.41Å; Y192-F195 PolarHBondContact O-N 2.84Å; Y192-F196 WeakPolarHBondContact O-CB 3.46Å; Y192-F196 PolarHBondContact O-N 2.98Å; Y192-T215 WeakPolarHBondContact CA-OG1 3.08Å; Y192-T215 HydrophobicContact CD2-CG2 4.21Å; Y192-T215 HydrophobicContact CG-CG2 4.48Å; Y192-T215 PolarHBondContact N-OG1 3.48Å; Y192-T215 VanDerWaalsContact N-OG1 3.12Å; Y192-V236 HydrophobicContact CD2-CG1 4.03Å; Y192-V236 HydrophobicContact CG-CG1 4.03Å; Y192-I239 HydrophobicContact CD1-CG2 4.37Å; Y192-I239 HydrophobicContact CE1-CB 4.32Å; Y192-I239 HydrophobicContact CE1-CG2 3.59Å; Y192-A240 HydrophobicContact CE2-CB 3.81Å; Y192-A240 WeakPolarHBondContact OH-CA 3.22Å; Y192-H243 AromaticContact CE1-CE1 3.97Å; Y192-H243 AromaticContact CE1-ND1 3.71Å; Y192-H243 AromaticContact CZ-ND1 3.73Å; Y192-H243 PolarHBondContact OH-ND1 3.12Å
193	L	96.8	Very high	94.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-44.4	176.6	-68.5	174.5	0	0	0	111.7	I144 E147 L148 V189 L190 F195 F196 N197 L638 L642	I144-L193 HydrophobicContact CG2-CD1 3.92Å; E147-L193 HydrophobicContact CB-CB 3.78Å; E147-L193 HydrophobicContact CB-CD1 4.24Å; L148-L193 HydrophobicContact CD2-CD1 4.13Å; L148-L193 HydrophobicContact CD2-CD2 4.07Å; L148-L193 HydrophobicContact CG-CD1 4.08Å; V189-L193 HydrophobicContact CG1-CD1 4.09Å; V189-L193 WeakPolarHBondContact O-CG 3.22Å; V189-L193 PolarHBondContact O-N 3.03Å; L190-L193 PolarHBondContact O-N 3.43Å; L193-F195 VanDerWaalsContact C-N 3.32Å; L193-F195 PolarHBondContact O-N 3.48Å; L193-F196 PolarHBondContact O-N 3.45Å; L193-F196 VanDerWaalsContact O-N 3.14Å; L193-N197 PolarHBondContact O-N 2.97Å; L193-L638 HydrophobicContact CD2-CD2 4.46Å; L193-L642 HydrophobicContact CD1-CD2 4.34Å
194	K	95.9	Very high	94	Very high	37 Å²	37	32.7 Å²	32.7	16%	0.161	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-40.4	174.6	-75.6	-169.6	-179.2	-66.8	0	112.3	E147 L190 S191 S198 W211	E147-K194 HydrophobicContact CG-CG 3.88Å; E147-K194 WeakPolarHBondContact OE1-CG 3.49Å; E147-K194 IonicContact OE1-NZ 3.18Å; E147-K194 PolarHBondContact OE1-NZ 3.19Å; L190-K194 HydrophobicContact CD1-CD 4.44Å; L190-K194 HydrophobicContact CD1-CG 4.3Å; L190-K194 PolarHBondContact O-N 3.02Å; S191-K194 PolarHBondContact O-N 3.03Å; K194-S198 WeakPolarHBondContact O-CB 3.23Å; K194-S198 PolarHBondContact O-N 3.29Å; K194-W211 HydrophobicContact CB-CD2 3.76Å; K194-W211 HydrophobicContact CB-CE3 4.2Å; K194-W211 HydrophobicContact CB-CG 3.92Å; K194-W211 HydrophobicContact CD-CD2 4.04Å; K194-W211 HydrophobicContact CD-CE3 4.09Å; K194-W211 HydrophobicContact CD-CH2 3.47Å; K194-W211 VanDerWaalsContact CD-CH2 3.47Å; K194-W211 HydrophobicContact CD-CZ2 3.37Å; K194-W211 HydrophobicContact CD-CZ3 3.81Å
195	F	96.2	Very high	93.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.5	-49.5	171.8	155	-101.3	0	0	0	111.6	S191 Y192 L193 S198 Q199 W208 W211 L212 R265	S191-F195 VanDerWaalsContact O-CB 3.27Å; S191-F195 WeakPolarHBondContact O-CB 3.16Å; S191-F195 PolarHBondContact O-N 3.21Å; Y192-F195 AromaticContact CD2-CD1 3.92Å; Y192-F195 HydrophobicContact CD2-CD1 3.92Å; Y192-F195 HydrophobicContact CD2-CE1 4.39Å; Y192-F195 AromaticContact CE2-CD1 3.8Å; Y192-F195 HydrophobicContact CE2-CD1 3.8Å; Y192-F195 AromaticContact CE2-CE1 3.85Å; Y192-F195 HydrophobicContact CE2-CE1 3.85Å; Y192-F195 WeakPolarHBondContact O-CB 3.41Å; Y192-F195 PolarHBondContact O-N 2.84Å; L193-F195 VanDerWaalsContact C-N 3.32Å; L193-F195 PolarHBondContact O-N 3.48Å; F195-S198 PolarHBondContact O-N 3.23Å; F195-Q199 PolarHBondContact O-N 2.8Å; F195-W208 AromaticContact CD2-CD1 3.97Å; F195-W208 HydrophobicContact CD2-CD2 4.09Å; F195-W208 AromaticContact CD2-CE2 3.79Å; F195-W208 HydrophobicContact CD2-CG 4.26Å; F195-W208 HydrophobicContact CD2-CZ2 4.24Å; F195-W208 AromaticContact CD2-NE1 3.66Å; F195-W208 AromaticContact CE2-CD2 3.76Å; F195-W208 HydrophobicContact CE2-CD2 3.76Å; F195-W208 AromaticContact CE2-CE2 3.12Å; F195-W208 HydrophobicContact CE2-CE3 4.3Å; F195-W208 HydrophobicContact CE2-CG 4.34Å; F195-W208 AromaticContact CE2-CH2 3.77Å; F195-W208 HydrophobicContact CE2-CH2 3.77Å; F195-W208 AromaticContact CE2-CZ2 3.17Å; F195-W208 HydrophobicContact CE2-CZ2 3.17Å; F195-W208 HydrophobicContact CE2-CZ3 4.29Å; F195-W208 AromaticContact CE2-NE1 3.3Å; F195-W208 VanDerWaalsContact CE2-NE1 3.3Å; F195-W208 AromaticContact CZ-CE2 3.95Å; F195-W208 HydrophobicContact CZ-CH2 4.33Å; F195-W208 AromaticContact CZ-CZ2 3.65Å; F195-W208 HydrophobicContact CZ-CZ2 3.65Å; F195-W211 HydrophobicContact CB-CB 3.78Å; F195-L212 HydrophobicContact CD1-CD1 4.4Å; F195-L212 HydrophobicContact CD2-CB 3.58Å; F195-L212 HydrophobicContact CD2-CD1 4.07Å; F195-L212 HydrophobicContact CD2-CG 4.21Å; F195-L212 HydrophobicContact CE1-CD1 4.17Å; F195-L212 HydrophobicContact CE2-CB 3.73Å; F195-L212 HydrophobicContact CE2-CD1 3.71Å; F195-L212 HydrophobicContact CE2-CD2 3.79Å; F195-L212 HydrophobicContact CE2-CG 3.9Å; F195-L212 HydrophobicContact CG-CB 4.3Å; F195-L212 HydrophobicContact CG-CD1 4.35Å; F195-L212 HydrophobicContact CZ-CD1 3.82Å; F195-L212 HydrophobicContact CZ-CD2 4.31Å; F195-L212 HydrophobicContact CZ-CG 4.45Å; F195-R265 HydrophobicContact CZ-CG 4.36Å
196	F	94.2	Very high	93.4	Very high	54 Å²	54	38 Å²	38	24%	0.237	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-47	-177.7	-179.5	-108.4	0	0	0	111.6	Y192 L193 S198 Q199 H243	Y192-F196 WeakPolarHBondContact O-CB 3.46Å; Y192-F196 PolarHBondContact O-N 2.98Å; L193-F196 PolarHBondContact O-N 3.45Å; L193-F196 VanDerWaalsContact O-N 3.14Å; F196-S198 VanDerWaalsContact C-N 3.33Å; F196-S198 PolarHBondContact O-N 2.97Å; F196-Q199 VanDerWaalsContact O-CB 3.27Å; F196-Q199 WeakPolarHBondContact O-CB 3.4Å; F196-Q199 PolarHBondContact O-N 3.46Å; F196-Q199 VanDerWaalsContact O-N 3.16Å; F196-H243 AromaticContact CD1-CE1 3.89Å; F196-H243 HydrophobicContact CD2-CB 4.43Å; F196-H243 AromaticContact CD2-CE1 3.62Å; F196-H243 AromaticContact CD2-CG 3.92Å; F196-H243 AromaticContact CD2-ND1 3.13Å; F196-H243 WeakPolarHBondContact CD2-ND1 3.37Å; F196-H243 AromaticContact CE1-CE1 3.9Å; F196-H243 HydrophobicContact CE2-CB 4.14Å; F196-H243 AromaticContact CE2-CE1 3.63Å; F196-H243 AromaticContact CE2-CG 3.65Å; F196-H243 AromaticContact CE2-ND1 3.27Å; F196-H243 VanDerWaalsContact CE2-ND1 3.27Å; F196-H243 WeakPolarHBondContact CE2-ND1 3.34Å; F196-H243 AromaticContact CG-CE1 3.73Å; F196-H243 AromaticContact CG-ND1 3.65Å; F196-H243 AromaticContact CZ-CE1 3.77Å; F196-H243 AromaticContact CZ-ND1 3.89Å
197	N	93.1	Very high	93	Very high	26 Å²	26	42.9 Å²	42.9	14%	0.139	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-37.5	176.9	-71.6	-24.5	0	0	0	111.9	E147 H149 L193 Q199 T200	E147-N197 PolarHBondContact O-ND2 3.27Å; E147-N197 PolarHBondContact OE2-ND2 3.32Å; H149-N197 PolarHBondContact NE2-OD1 2.94Å; L193-N197 PolarHBondContact O-N 2.97Å; N197-Q199 VanDerWaalsContact C-N 3.28Å; N197-Q199 PolarHBondContact O-N 3.26Å; N197-T200 PolarHBondContact O-N 3.31Å
198	S	91	Very high	92.8	Very high	12 Å²	12	41.9 Å²	41.9	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-66.5	-28.9	175.5	-176.4	0	0	0	0	113.1	K194 F195 F196 T200 H201 S202	K194-S198 WeakPolarHBondContact O-CB 3.23Å; K194-S198 PolarHBondContact O-N 3.29Å; F195-S198 PolarHBondContact O-N 3.23Å; F196-S198 VanDerWaalsContact C-N 3.33Å; F196-S198 PolarHBondContact O-N 2.97Å; S198-T200 VanDerWaalsContact C-N 3.29Å; S198-T200 PolarHBondContact O-N 2.78Å; S198-H201 PolarHBondContact O-N 3.41Å; S198-S202 PolarHBondContact O-N 3.02Å; S198-S202 PolarHBondContact O-OG 3.47Å
199	Q	90.3	Very high	92.7	Very high	27 Å²	27	46.2 Å²	46.2	13%	0.126	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-38.7	179.1	-175.1	171.5	-78	0	0	112.3	F195 F196 N197 H201 P203	F195-Q199 PolarHBondContact O-N 2.8Å; F196-Q199 VanDerWaalsContact O-CB 3.27Å; F196-Q199 WeakPolarHBondContact O-CB 3.4Å; F196-Q199 PolarHBondContact O-N 3.46Å; F196-Q199 VanDerWaalsContact O-N 3.16Å; N197-Q199 VanDerWaalsContact C-N 3.28Å; N197-Q199 PolarHBondContact O-N 3.26Å; Q199-H201 VanDerWaalsContact C-N 3.27Å; Q199-H201 PolarHBondContact O-N 3.34Å; Q199-P203 WeakPolarHBondContact O-CD 3.13Å
200	T	84.1	Confident	92.6	Very high	110 Å²	110	50.4 Å²	50.4	68%	0.675	26%	0.263	S	S	*	.	H	α-helix	trans	-64.6	-33.5	-178.6	-48	0	0	0	0	111.9	N197 S198	N197-T200 PolarHBondContact O-N 3.31Å; S198-T200 VanDerWaalsContact C-N 3.29Å; S198-T200 PolarHBondContact O-N 2.78Å
201	H	84	Confident	92.5	Very high	166 Å²	166	52 Å²	52	77%	0.769	27%	0.268	S	S	*	.	H	α-helix	trans	-95.4	-38.5	-177.5	-64.3	-70.6	0	0	0	114	S198 Q199	S198-H201 PolarHBondContact O-N 3.41Å; Q199-H201 VanDerWaalsContact C-N 3.27Å; Q199-H201 PolarHBondContact O-N 3.34Å
202	S	87.4	Confident	92.5	Very high	46 Å²	46	52 Å²	52	32%	0.322	27%	0.268	S	S	.	.			trans	-151.3	72.4	-169.1	61.3	0	0	0	0	113.2	S198 S205	S198-S202 PolarHBondContact O-N 3.02Å; S198-S202 PolarHBondContact O-OG 3.47Å; S202-S205 WeakPolarHBondContact O-CB 3.35Å; S202-S205 PolarHBondContact O-N 2.88Å; S202-S205 PolarHBondContact O-OG 2.96Å; S202-S205 VanDerWaalsContact O-OG 3.12Å; S202-S205 PolarHBondContact OG-OG 2.85Å
203	P	87.5	Confident	92.5	Very high	67 Å²	67	54.8 Å²	54.8	44%	0.435	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	142.9	179.6	28.1	-34.6	0	0	0	111.1	Q199 S205	Q199-P203 WeakPolarHBondContact O-CD 3.13Å; P203-S205 PolarHBondContact O-N 3.39Å
204	F	91	Very high	92.5	Very high	67 Å²	67	57.2 Å²	57.2	29%	0.294	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	19.9	-178.3	-55.1	-80.6	0	0	0	115.6	W208 H261	F204-W208 HydrophobicContact CD1-CZ3 4.3Å; F204-W208 HydrophobicContact CE1-CH2 4.41Å; F204-H261 AromaticContact CE2-CD2 3.71Å; F204-H261 AromaticContact CE2-CE1 3.54Å; F204-H261 AromaticContact CE2-ND1 3.99Å; F204-H261 AromaticContact CE2-NE2 3.34Å; F204-H261 VanDerWaalsContact CE2-NE2 3.34Å; F204-H261 WeakPolarHBondContact CE2-NE2 3.47Å; F204-H261 HydrophobicContact CZ-CB 4.42Å; F204-H261 AromaticContact CZ-CD2 3.74Å; F204-H261 AromaticContact CZ-CE1 3.76Å; F204-H261 AromaticContact CZ-CG 3.7Å; F204-H261 AromaticContact CZ-ND1 3.72Å; F204-H261 AromaticContact CZ-NE2 3.78Å
205	S	92.1	Very high	92.6	Very high	32 Å²	32	55.4 Å²	55.4	22%	0.224	29%	0.287	C	S	.	.			trans	-70.7	164.3	169.2	70.7	0	0	0	0	111.7	S202 P203 H207 W208 W209	S202-S205 WeakPolarHBondContact O-CB 3.35Å; S202-S205 PolarHBondContact O-N 2.88Å; S202-S205 PolarHBondContact O-OG 2.96Å; S202-S205 VanDerWaalsContact O-OG 3.12Å; S202-S205 PolarHBondContact OG-OG 2.85Å; P203-S205 PolarHBondContact O-N 3.39Å; S205-H207 PolarHBondContact O-N 3.33Å; S205-W208 WeakPolarHBondContact O-CB 3.49Å; S205-W208 PolarHBondContact O-N 3.46Å; S205-W208 WeakPolarHBondContact OG-CB 3.42Å; S205-W208 PolarHBondContact OG-N 3.02Å; S205-W208 VanDerWaalsContact OG-N 3.1Å; S205-W209 PolarHBondContact O-N 3.41Å
206	V	91.4	Very high	92.7	Very high	113 Å²	113	55.4 Å²	55.4	69%	0.685	29%	0.287	S	S	*	.	H	α-helix	trans	-60.8	-38.9	174.2	179.1	0	0	0	0	110.7	W208 W209 L210	V206-W208 VanDerWaalsContact C-N 3.35Å; V206-W209 PolarHBondContact O-N 3.37Å; V206-L210 WeakPolarHBondContact O-CB 3.42Å; V206-L210 PolarHBondContact O-N 3.43Å
207	H	91.5	Very high	92.9	Very high	102 Å²	102	55.4 Å²	55.4	47%	0.472	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-41.7	176.7	-169.4	74.1	0	0	0	111.8	S205 L210 W211	S205-H207 PolarHBondContact O-N 3.33Å; H207-L210 PolarHBondContact O-N 3.21Å; H207-W211 AromaticContact CD2-CD1 3.63Å; H207-W211 AromaticContact CD2-NE1 3.42Å; H207-W211 PolarHBondContact CD2-NE1 2.83Å; H207-W211 AromaticContact CE1-CD1 3.89Å; H207-W211 AromaticContact CE1-CE2 3.79Å; H207-W211 AromaticContact CE1-NE1 2.96Å; H207-W211 PolarHBondContact CE1-NE1 3.47Å; H207-W211 AromaticContact CG-NE1 3.8Å; H207-W211 AromaticContact ND1-NE1 3.52Å; H207-W211 AromaticContact NE2-CD1 3.57Å; H207-W211 AromaticContact NE2-CE2 3.97Å; H207-W211 AromaticContact NE2-NE1 2.85Å; H207-W211 PolarHBondContact NE2-NE1 3.42Å; H207-W211 PolarHBondContact O-N 2.53Å; H207-W211 VanDerWaalsContact O-N 3.13Å
208	W	93.9	Very high	93.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-46.7	175.3	-175.8	92.9	0	0	0	111.9	F195 F204 S205 V206 L212 H261 A264	F195-W208 AromaticContact CD2-CD1 3.97Å; F195-W208 HydrophobicContact CD2-CD2 4.09Å; F195-W208 AromaticContact CD2-CE2 3.79Å; F195-W208 HydrophobicContact CD2-CG 4.26Å; F195-W208 HydrophobicContact CD2-CZ2 4.24Å; F195-W208 AromaticContact CD2-NE1 3.66Å; F195-W208 AromaticContact CE2-CD2 3.76Å; F195-W208 HydrophobicContact CE2-CD2 3.76Å; F195-W208 AromaticContact CE2-CE2 3.12Å; F195-W208 HydrophobicContact CE2-CE3 4.3Å; F195-W208 HydrophobicContact CE2-CG 4.34Å; F195-W208 AromaticContact CE2-CH2 3.77Å; F195-W208 HydrophobicContact CE2-CH2 3.77Å; F195-W208 AromaticContact CE2-CZ2 3.17Å; F195-W208 HydrophobicContact CE2-CZ2 3.17Å; F195-W208 HydrophobicContact CE2-CZ3 4.29Å; F195-W208 AromaticContact CE2-NE1 3.3Å; F195-W208 VanDerWaalsContact CE2-NE1 3.3Å; F195-W208 AromaticContact CZ-CE2 3.95Å; F195-W208 HydrophobicContact CZ-CH2 4.33Å; F195-W208 AromaticContact CZ-CZ2 3.65Å; F195-W208 HydrophobicContact CZ-CZ2 3.65Å; F204-W208 HydrophobicContact CD1-CZ3 4.3Å; F204-W208 HydrophobicContact CE1-CH2 4.41Å; S205-W208 WeakPolarHBondContact O-CB 3.49Å; S205-W208 PolarHBondContact O-N 3.46Å; S205-W208 WeakPolarHBondContact OG-CB 3.42Å; S205-W208 PolarHBondContact OG-N 3.02Å; S205-W208 VanDerWaalsContact OG-N 3.1Å; V206-W208 VanDerWaalsContact C-N 3.35Å; W208-L212 HydrophobicContact CE3-CD2 4.38Å; W208-L212 HydrophobicContact CH2-CD2 3.61Å; W208-L212 HydrophobicContact CZ2-CD2 4.41Å; W208-L212 HydrophobicContact CZ3-CD2 3.59Å; W208-L212 WeakPolarHBondContact O-CB 3.33Å; W208-L212 PolarHBondContact O-N 2.96Å; W208-L212 VanDerWaalsContact O-N 3.11Å; W208-H261 AromaticContact CZ2-CE1 3.95Å; W208-H261 AromaticContact CZ2-ND1 3.56Å; W208-A264 HydrophobicContact CH2-CB 3.69Å; W208-A264 HydrophobicContact CZ3-CB 3.96Å
209	W	94.7	Very high	93.4	Very high	92 Å²	92	53.8 Å²	53.8	35%	0.348	28%	0.282	S	S	.	.	H	α-helix	trans	-64.9	-39.7	176.4	-90.4	107.3	0	0	0	112.6	S205 V206 L212 M213 A264	S205-W209 PolarHBondContact O-N 3.41Å; V206-W209 PolarHBondContact O-N 3.37Å; W209-L212 HydrophobicContact CZ3-CD2 4.49Å; W209-L212 PolarHBondContact O-N 2.83Å; W209-M213 HydrophobicContact CE3-CG 4.02Å; W209-M213 HydrophobicContact CE3-SD 4.3Å; W209-M213 HydrophobicContact CZ3-SD 4.23Å; W209-M213 VanDerWaalsContact O-CB 3.32Å; W209-M213 WeakPolarHBondContact O-CB 3.37Å; W209-M213 WeakPolarHBondContact O-CG 3.39Å; W209-M213 PolarHBondContact O-N 2.88Å; W209-A264 HydrophobicContact CH2-CB 3.65Å; W209-A264 HydrophobicContact CZ2-CB 3.85Å; W209-A264 HydrophobicContact CZ3-CB 4.41Å
210	L	96	Very high	93.8	Very high	91 Å²	91	52.6 Å²	52.6	48%	0.476	28%	0.277	S	S	.	.	H	α-helix	trans	-57.8	-51.8	178.1	-175.3	161.7	0	0	0	110.6	V206 H207 M213 L214	V206-L210 WeakPolarHBondContact O-CB 3.42Å; V206-L210 PolarHBondContact O-N 3.43Å; H207-L210 PolarHBondContact O-N 3.21Å; L210-M213 PolarHBondContact O-N 3.41Å; L210-L214 VanDerWaalsContact O-CB 3.22Å; L210-L214 WeakPolarHBondContact O-CB 3.31Å; L210-L214 PolarHBondContact O-N 2.74Å
211	W	96.5	Very high	94.4	Very high	44 Å²	44	47.8 Å²	47.8	17%	0.167	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-41.9	-179.5	-69.4	120.7	0	0	0	112.7	K194 F195 H207 M213 L214 T215	K194-W211 HydrophobicContact CB-CD2 3.76Å; K194-W211 HydrophobicContact CB-CE3 4.2Å; K194-W211 HydrophobicContact CB-CG 3.92Å; K194-W211 HydrophobicContact CD-CD2 4.04Å; K194-W211 HydrophobicContact CD-CE3 4.09Å; K194-W211 HydrophobicContact CD-CH2 3.47Å; K194-W211 VanDerWaalsContact CD-CH2 3.47Å; K194-W211 HydrophobicContact CD-CZ2 3.37Å; K194-W211 HydrophobicContact CD-CZ3 3.81Å; F195-W211 HydrophobicContact CB-CB 3.78Å; H207-W211 AromaticContact CD2-CD1 3.63Å; H207-W211 AromaticContact CD2-NE1 3.42Å; H207-W211 PolarHBondContact CD2-NE1 2.83Å; H207-W211 AromaticContact CE1-CD1 3.89Å; H207-W211 AromaticContact CE1-CE2 3.79Å; H207-W211 AromaticContact CE1-NE1 2.96Å; H207-W211 PolarHBondContact CE1-NE1 3.47Å; H207-W211 AromaticContact CG-NE1 3.8Å; H207-W211 AromaticContact ND1-NE1 3.52Å; H207-W211 AromaticContact NE2-CD1 3.57Å; H207-W211 AromaticContact NE2-CE2 3.97Å; H207-W211 AromaticContact NE2-NE1 2.85Å; H207-W211 PolarHBondContact NE2-NE1 3.42Å; H207-W211 PolarHBondContact O-N 2.53Å; H207-W211 VanDerWaalsContact O-N 3.13Å; W211-M213 PolarHBondContact O-N 3.01Å; W211-L214 HydrophobicContact CE3-CD2 3.79Å; W211-L214 HydrophobicContact CZ3-CD2 3.67Å; W211-L214 PolarHBondContact O-N 3.28Å; W211-T215 PolarHBondContact O-N 2.85Å; W211-T215 PolarHBondContact O-OG1 2.99Å
212	L	97	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-45.5	178.3	-177.4	57.4	0	0	0	112.1	F195 W208 W209 L214 T215 G216 A264 A268 L269	F195-L212 HydrophobicContact CD1-CD1 4.4Å; F195-L212 HydrophobicContact CD2-CB 3.58Å; F195-L212 HydrophobicContact CD2-CD1 4.07Å; F195-L212 HydrophobicContact CD2-CG 4.21Å; F195-L212 HydrophobicContact CE1-CD1 4.17Å; F195-L212 HydrophobicContact CE2-CB 3.73Å; F195-L212 HydrophobicContact CE2-CD1 3.71Å; F195-L212 HydrophobicContact CE2-CD2 3.79Å; F195-L212 HydrophobicContact CE2-CG 3.9Å; F195-L212 HydrophobicContact CG-CB 4.3Å; F195-L212 HydrophobicContact CG-CD1 4.35Å; F195-L212 HydrophobicContact CZ-CD1 3.82Å; F195-L212 HydrophobicContact CZ-CD2 4.31Å; F195-L212 HydrophobicContact CZ-CG 4.45Å; W208-L212 HydrophobicContact CE3-CD2 4.38Å; W208-L212 HydrophobicContact CH2-CD2 3.61Å; W208-L212 HydrophobicContact CZ2-CD2 4.41Å; W208-L212 HydrophobicContact CZ3-CD2 3.59Å; W208-L212 WeakPolarHBondContact O-CB 3.33Å; W208-L212 PolarHBondContact O-N 2.96Å; W208-L212 VanDerWaalsContact O-N 3.11Å; W209-L212 HydrophobicContact CZ3-CD2 4.49Å; W209-L212 PolarHBondContact O-N 2.83Å; L212-L214 VanDerWaalsContact C-N 3.34Å; L212-T215 WeakPolarHBondContact O-CB 3.46Å; L212-T215 PolarHBondContact O-N 3.35Å; L212-G216 PolarHBondContact O-N 3.36Å; L212-A264 HydrophobicContact CD2-CB 4.25Å; L212-A268 HydrophobicContact CD1-CB 4.01Å; L212-A268 HydrophobicContact CD2-CB 3.87Å; L212-A268 HydrophobicContact CG-CB 3.47Å; L212-A268 VanDerWaalsContact CG-CB 3.47Å; L212-L269 HydrophobicContact CD1-CD1 4.48Å; L212-L269 HydrophobicContact CD1-CD2 4.24Å; L212-L269 HydrophobicContact CD1-CG 4.18Å
213	M	97.5	Very high	95.5	Very high	64 Å²	64	38.5 Å²	38.5	32%	0.315	20%	0.201	S	C	.	.	H	α-helix	trans	-66.6	-38.9	176.7	-69.6	-64.8	-65.9	0	0	111.2	W209 L210 W211 T215 G216 V217 A268 V272	W209-M213 HydrophobicContact CE3-CG 4.02Å; W209-M213 HydrophobicContact CE3-SD 4.3Å; W209-M213 HydrophobicContact CZ3-SD 4.23Å; W209-M213 VanDerWaalsContact O-CB 3.32Å; W209-M213 WeakPolarHBondContact O-CB 3.37Å; W209-M213 WeakPolarHBondContact O-CG 3.39Å; W209-M213 PolarHBondContact O-N 2.88Å; L210-M213 PolarHBondContact O-N 3.41Å; W211-M213 PolarHBondContact O-N 3.01Å; M213-T215 VanDerWaalsContact C-N 3.28Å; M213-T215 PolarHBondContact O-N 3.49Å; M213-G216 PolarHBondContact O-N 3.44Å; M213-V217 VanDerWaalsContact O-CG2 3.26Å; M213-V217 WeakPolarHBondContact O-CG2 3.08Å; M213-V217 PolarHBondContact O-N 3.03Å; M213-A268 HydrophobicContact SD-CB 3.84Å; M213-V272 HydrophobicContact CE-CB 4.5Å; M213-V272 HydrophobicContact CE-CG1 4.26Å; M213-V272 HydrophobicContact CE-CG2 3.55Å; M213-V272 HydrophobicContact SD-CG2 4.09Å
214	L	97.5	Very high	96	Very high	51 Å²	51	35.3 Å²	35.3	27%	0.267	18%	0.18	S	C	.	.	H	α-helix	trans	-62.9	-35.2	175.8	-173.1	61.3	0	0	0	111.8	L187 L210 W211 L212 V217 S218	L187-L214 HydrophobicContact CD1-CD2 4.11Å; L187-L214 HydrophobicContact CD1-CG 4.46Å; L187-L214 HydrophobicContact CD2-CD1 4.44Å; L210-L214 VanDerWaalsContact O-CB 3.22Å; L210-L214 WeakPolarHBondContact O-CB 3.31Å; L210-L214 PolarHBondContact O-N 2.74Å; W211-L214 HydrophobicContact CE3-CD2 3.79Å; W211-L214 HydrophobicContact CZ3-CD2 3.67Å; W211-L214 PolarHBondContact O-N 3.28Å; L212-L214 VanDerWaalsContact C-N 3.34Å; L214-V217 PolarHBondContact O-N 3.26Å; L214-S218 VanDerWaalsContact O-CB 3.28Å; L214-S218 WeakPolarHBondContact O-CB 3.44Å; L214-S218 PolarHBondContact O-N 2.92Å; L214-S218 PolarHBondContact O-OG 2.99Å
215	T	98	Very high	96.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-50	170.9	-54.3	0	0	0	0	111.1	S191 Y192 W211 L212 M213 V217 S218 C219 V236 L269	S191-T215 WeakPolarHBondContact CB-OG1 3.43Å; S191-T215 WeakPolarHBondContact OG-CA 3.45Å; S191-T215 PolarHBondContact OG-N 3.37Å; S191-T215 PolarHBondContact OG-OG1 3.21Å; Y192-T215 WeakPolarHBondContact CA-OG1 3.08Å; Y192-T215 HydrophobicContact CD2-CG2 4.21Å; Y192-T215 HydrophobicContact CG-CG2 4.48Å; Y192-T215 PolarHBondContact N-OG1 3.48Å; Y192-T215 VanDerWaalsContact N-OG1 3.12Å; W211-T215 PolarHBondContact O-N 2.85Å; W211-T215 PolarHBondContact O-OG1 2.99Å; L212-T215 WeakPolarHBondContact O-CB 3.46Å; L212-T215 PolarHBondContact O-N 3.35Å; M213-T215 VanDerWaalsContact C-N 3.28Å; M213-T215 PolarHBondContact O-N 3.49Å; T215-V217 PolarHBondContact O-N 2.88Å; T215-S218 WeakPolarHBondContact CA-OG 3.3Å; T215-S218 PolarHBondContact O-N 2.92Å; T215-S218 PolarHBondContact O-OG 3.29Å; T215-C219 WeakPolarHBondContact O-CB 3.36Å; T215-C219 PolarHBondContact O-N 3.36Å; T215-C219 PolarHBondContact O-SG 2.9Å; T215-V236 HydrophobicContact CG2-CG1 3.75Å; T215-L269 HydrophobicContact CG2-CD2 3.64Å
216	G	97.7	Very high	96.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.5	-47.7	176.6	0	0	0	0	0	113.4	L212 M213 S220 A268	L212-G216 PolarHBondContact O-N 3.36Å; M213-G216 PolarHBondContact O-N 3.44Å; G216-S220 PolarHBondContact O-N 2.99Å; G216-A268 WeakPolarHBondContact CA-O 3.39Å
217	V	98.2	Very high	96.4	Very high	54 Å²	54	28 Å²	28	33%	0.327	13%	0.134	S	C	.	.	H	α-helix	trans	-61.7	-48.8	178.7	174.2	0	0	0	0	110.9	M213 L214 T215 S220 C221 V272 L276	M213-V217 VanDerWaalsContact O-CG2 3.26Å; M213-V217 WeakPolarHBondContact O-CG2 3.08Å; M213-V217 PolarHBondContact O-N 3.03Å; L214-V217 PolarHBondContact O-N 3.26Å; T215-V217 PolarHBondContact O-N 2.88Å; V217-S220 WeakPolarHBondContact O-CB 3.29Å; V217-S220 PolarHBondContact O-N 3.13Å; V217-C221 PolarHBondContact O-N 3.42Å; V217-C221 PolarHBondContact O-SG 3.27Å; V217-V272 HydrophobicContact CG2-CG1 4.31Å; V217-L276 HydrophobicContact CB-CD1 4.11Å; V217-L276 HydrophobicContact CG1-CD1 4.17Å; V217-L276 HydrophobicContact CG2-CD1 3.81Å
218	S	97.9	Very high	96.4	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	12%	0.115	C	C	.	.	H	α-helix	trans	-66.2	-39	-178.7	51.9	0	0	0	0	112.8	A188 L214 T215 S220 C221 A222	A188-S218 WeakPolarHBondContact CA-OG 3.35Å; A188-S218 WeakPolarHBondContact CB-OG 3.36Å; A188-S218 PolarHBondContact N-OG 3.46Å; L214-S218 VanDerWaalsContact O-CB 3.28Å; L214-S218 WeakPolarHBondContact O-CB 3.44Å; L214-S218 PolarHBondContact O-N 2.92Å; L214-S218 PolarHBondContact O-OG 2.99Å; T215-S218 WeakPolarHBondContact CA-OG 3.3Å; T215-S218 PolarHBondContact O-N 2.92Å; T215-S218 PolarHBondContact O-OG 3.29Å; S218-S220 VanDerWaalsContact C-N 3.35Å; S218-S220 PolarHBondContact O-N 3.35Å; S218-C221 PolarHBondContact O-N 2.91Å; S218-A222 WeakPolarHBondContact O-CB 3.41Å; S218-A222 PolarHBondContact O-N 3.36Å
219	C	97.5	Very high	96.5	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	12%	0.115	C	C	.	.	H	α-helix	trans	-59.3	-45.3	170.8	-71.9	0	0	0	0	111.7	T215 A222 V223 Y233	T215-C219 WeakPolarHBondContact O-CB 3.36Å; T215-C219 PolarHBondContact O-N 3.36Å; T215-C219 PolarHBondContact O-SG 2.9Å; C219-A222 PolarHBondContact O-N 3.5Å; C219-V223 WeakPolarHBondContact O-CG2 3.44Å; C219-V223 PolarHBondContact O-N 2.93Å; C219-Y233 HydrophobicContact CB-CD2 3.56Å; C219-Y233 HydrophobicContact CB-CE2 4.01Å; C219-Y233 HydrophobicContact CB-CG 4.09Å
220	S	97.6	Very high	96.6	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-45.3	177	-165.2	0	0	0	0	112.1	G216 V217 S218 A222 V223 G224 P273 L276 Y277	G216-S220 PolarHBondContact O-N 2.99Å; V217-S220 WeakPolarHBondContact O-CB 3.29Å; V217-S220 PolarHBondContact O-N 3.13Å; S218-S220 VanDerWaalsContact C-N 3.35Å; S218-S220 PolarHBondContact O-N 3.35Å; S220-A222 VanDerWaalsContact C-N 3.33Å; S220-A222 PolarHBondContact O-N 3.36Å; S220-V223 PolarHBondContact O-N 3.49Å; S220-G224 PolarHBondContact O-N 2.96Å; S220-P273 PolarHBondContact OG-O 3.28Å; S220-L276 WeakPolarHBondContact OG-CB 3.16Å; S220-Y277 PolarHBondContact OG-N 2.83Å
221	C	98	Very high	96.6	Very high	9 Å²	9	19.7 Å²	19.7	6%	0.061	10%	0.098	C	C	.	.	H	α-helix	trans	-59.1	-43.1	175.7	-70.6	0	0	0	0	111.8	F90 F184 V217 S218 G224 I225	F90-C221 HydrophobicContact CD1-CB 4.17Å; F90-C221 HydrophobicContact CE1-CB 3.66Å; F90-C221 VanDerWaalsContact CE1-SG 3.54Å; F184-C221 HydrophobicContact CB-CB 4.38Å; F184-C221 HydrophobicContact CD1-CB 3.44Å; F184-C221 VanDerWaalsContact CD1-CB 3.44Å; F184-C221 HydrophobicContact CD2-CB 4Å; F184-C221 HydrophobicContact CE1-CB 3.54Å; F184-C221 HydrophobicContact CE2-CB 4.08Å; F184-C221 HydrophobicContact CG-CB 3.68Å; F184-C221 HydrophobicContact CZ-CB 3.85Å; V217-C221 PolarHBondContact O-N 3.42Å; V217-C221 PolarHBondContact O-SG 3.27Å; S218-C221 PolarHBondContact O-N 2.91Å; C221-G224 PolarHBondContact O-N 3.34Å; C221-I225 WeakPolarHBondContact O-CD1 3.43Å; C221-I225 VanDerWaalsContact O-CG1 3.28Å; C221-I225 WeakPolarHBondContact O-CG1 3.41Å; C221-I225 PolarHBondContact O-N 3.07Å
222	A	97.7	Very high	96.6	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-60.7	-49.5	177.6	0	0	0	0	0	111.7	L181 F184 N185 S218 C219 S220 G224 I225 K226	L181-A222 HydrophobicContact CD1-CB 4.16Å; L181-A222 WeakPolarHBondContact CD1-O 3.43Å; F184-A222 HydrophobicContact CB-CB 4Å; N185-A222 WeakPolarHBondContact OD1-CB 3.43Å; S218-A222 WeakPolarHBondContact O-CB 3.41Å; S218-A222 PolarHBondContact O-N 3.36Å; C219-A222 PolarHBondContact O-N 3.5Å; S220-A222 VanDerWaalsContact C-N 3.33Å; S220-A222 PolarHBondContact O-N 3.36Å; A222-G224 VanDerWaalsContact C-N 3.3Å; A222-G224 PolarHBondContact O-N 2.9Å; A222-I225 PolarHBondContact O-N 2.87Å; A222-K226 PolarHBondContact O-N 3.39Å; A222-K226 VanDerWaalsContact O-O 3.12Å
223	V	97	Very high	96.7	Very high	16 Å²	16	19.3 Å²	19.3	10%	0.097	10%	0.097	C	C	.	.	H	α-helix	trans	-62.5	-39.4	175.6	177.2	0	0	0	0	111	P88 C219 S220 I225 K226 I230 Y233 Y277	P88-V223 VanDerWaalsContact CG-O 3.31Å; P88-V223 WeakPolarHBondContact CG-O 3.35Å; C219-V223 WeakPolarHBondContact O-CG2 3.44Å; C219-V223 PolarHBondContact O-N 2.93Å; S220-V223 PolarHBondContact O-N 3.49Å; V223-I225 VanDerWaalsContact C-N 3.27Å; V223-I225 PolarHBondContact O-N 3.49Å; V223-K226 CarbonylContact O-C 3.51Å; V223-I230 HydrophobicContact CB-CG1 4.44Å; V223-I230 HydrophobicContact CG1-CD1 4.36Å; V223-I230 HydrophobicContact CG1-CG1 3.83Å; V223-I230 HydrophobicContact CG2-CG1 3.83Å; V223-Y233 HydrophobicContact CG2-CD1 4.19Å; V223-Y277 HydrophobicContact CG1-CD2 4.05Å; V223-Y277 HydrophobicContact CG1-CE2 3.88Å
224	G	96.6	Very high	96.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66	-24.2	177.8	0	0	0	0	0	114.1	P88 F90 S220 C221 A222	P88-G224 CarbonylContact C-O 3.55Å; P88-G224 WeakPolarHBondContact CB-O 3.45Å; P88-G224 VanDerWaalsContact O-O 3.12Å; F90-G224 WeakPolarHBondContact CA-O 3.34Å; F90-G224 VanDerWaalsContact CB-C 3.49Å; F90-G224 WeakPolarHBondContact CB-O 3.28Å; F90-G224 PolarHBondContact N-O 3.23Å; S220-G224 PolarHBondContact O-N 2.96Å; C221-G224 PolarHBondContact O-N 3.34Å; A222-G224 VanDerWaalsContact C-N 3.3Å; A222-G224 PolarHBondContact O-N 2.9Å
225	I	96.1	Very high	96.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-79.5	-50.8	176.3	-71.9	156.6	0	0	0	110.5	F90 L177 I180 L181 F184 C221 A222 V223	F90-I225 HydrophobicContact CD1-CD1 4.47Å; F90-I225 HydrophobicContact CD1-CG1 3.96Å; L177-I225 HydrophobicContact CB-CG2 4.06Å; I180-I225 HydrophobicContact CB-CD1 4.14Å; I180-I225 HydrophobicContact CG2-CD1 3.48Å; I180-I225 VanDerWaalsContact CG2-CD1 3.48Å; I180-I225 HydrophobicContact CG2-CG1 4.36Å; L181-I225 HydrophobicContact CB-CG2 4.07Å; F184-I225 HydrophobicContact CD2-CD1 3.3Å; F184-I225 HydrophobicContact CE2-CD1 3.77Å; F184-I225 HydrophobicContact CG-CD1 4.3Å; C221-I225 WeakPolarHBondContact O-CD1 3.43Å; C221-I225 VanDerWaalsContact O-CG1 3.28Å; C221-I225 WeakPolarHBondContact O-CG1 3.41Å; C221-I225 PolarHBondContact O-N 3.07Å; A222-I225 PolarHBondContact O-N 2.87Å; V223-I225 VanDerWaalsContact C-N 3.27Å; V223-I225 PolarHBondContact O-N 3.49Å
226	K	94.3	Very high	96.6	Very high	11 Å²	11	17.9 Å²	17.9	5%	0.048	9%	0.09	C	C	.	.			trans	-150.9	149	177.3	-79.1	-166.1	171.2	-174.3	0	109.1	Y69 E178 L181 A222 V223 M228 G229	Y69-K226 WeakPolarHBondContact OH-CE 3.39Å; Y69-K226 PolarHBondContact OH-NZ 2.99Å; E178-K226 IonicContact OE1-NZ 3.08Å; E178-K226 PolarHBondContact OE1-NZ 3.34Å; L181-K226 HydrophobicContact CD2-CB 4.35Å; A222-K226 PolarHBondContact O-N 3.39Å; A222-K226 VanDerWaalsContact O-O 3.12Å; V223-K226 CarbonylContact O-C 3.51Å; K226-M228 HydrophobicContact CB-CB 4.44Å; K226-M228 PolarHBondContact O-N 3.41Å; K226-G229 PolarHBondContact O-N 3.09Å
227	Y	93.1	Very high	96.6	Very high	48 Å²	48	20 Å²	20	19%	0.188	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.4	175.3	-70.3	-58.6	0	0	0	113.3	P88 G229 I230 Y277 Q550 L554	P88-Y227 HydrophobicContact CG-CD1 3.74Å; P88-Y227 HydrophobicContact CG-CD2 4.44Å; P88-Y227 HydrophobicContact CG-CE1 3.44Å; P88-Y227 VanDerWaalsContact CG-CE1 3.44Å; P88-Y227 HydrophobicContact CG-CE2 4.2Å; P88-Y227 HydrophobicContact CG-CG 4.22Å; Y227-G229 PolarHBondContact O-N 3.46Å; Y227-G229 VanDerWaalsContact O-N 3.12Å; Y227-I230 HydrophobicContact CD1-CD1 4.23Å; Y227-I230 VanDerWaalsContact O-CB 3.25Å; Y227-I230 WeakPolarHBondContact O-CB 3.45Å; Y227-I230 VanDerWaalsContact O-CG1 3.31Å; Y227-I230 WeakPolarHBondContact O-CG1 3.26Å; Y227-I230 PolarHBondContact O-N 3.07Å; Y227-Y277 WeakPolarHBondContact CE1-OH 3.12Å; Y227-Q550 PolarHBondContact OH-NE2 2.86Å; Y227-Q550 PolarHBondContact OH-OE1 2.58Å; Y227-L554 HydrophobicContact CE2-CD2 4.17Å
228	M	92.6	Very high	96.6	Very high	14 Å²	14	20.5 Å²	20.5	7%	0.069	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.4	172	-65.5	174.1	71.4	0	0	113.5	L181 K226 I230 F231 F654 H665 P668	L181-M228 HydrophobicContact CD2-CB 4.03Å; K226-M228 HydrophobicContact CB-CB 4.44Å; K226-M228 PolarHBondContact O-N 3.41Å; M228-I230 PolarHBondContact O-N 3.16Å; M228-I230 VanDerWaalsContact O-N 3.16Å; M228-F231 HydrophobicContact CB-CD2 4.35Å; M228-F231 HydrophobicContact CB-CE2 4.38Å; M228-F231 HydrophobicContact CG-CE2 4.33Å; M228-F231 WeakPolarHBondContact O-CB 3.29Å; M228-F231 WeakPolarHBondContact O-CD2 3.45Å; M228-F231 PolarHBondContact O-N 3.07Å; M228-F231 VanDerWaalsContact O-N 3.11Å; M228-F654 HydrophobicContact CE-CE1 4.43Å; M228-F654 HydrophobicContact CE-CE2 3.95Å; M228-F654 HydrophobicContact CE-CZ 3.38Å; M228-F654 HydrophobicContact CG-CZ 4.09Å; M228-F654 HydrophobicContact SD-CZ 4.08Å; M228-H665 HydrophobicContact CE-CB 3.94Å; M228-H665 WeakPolarHBondContact CE-O 3.33Å; M228-H665 VanDerWaalsContact SD-CD2 3.53Å; M228-P668 HydrophobicContact CE-CG 4.22Å
229	G	95.3	Very high	96.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.9	-21.9	173.5	0	0	0	0	0	113.7	K226 Y227 F231 T232 Y233	K226-G229 PolarHBondContact O-N 3.09Å; Y227-G229 PolarHBondContact O-N 3.46Å; Y227-G229 VanDerWaalsContact O-N 3.12Å; G229-F231 PolarHBondContact O-N 2.88Å; G229-T232 PolarHBondContact O-N 3.43Å; G229-Y233 WeakPolarHBondContact O-CB 3.48Å; G229-Y233 PolarHBondContact O-N 3.32Å
230	I	96.1	Very high	96.4	Very high	66 Å²	66	21.3 Å²	21.3	34%	0.338	11%	0.112	S	C	.	.	H	α-helix	trans	-60.2	-35	175.3	-66.8	173.7	0	0	0	110.7	V223 Y227 M228 Y233 L234	V223-I230 HydrophobicContact CB-CG1 4.44Å; V223-I230 HydrophobicContact CG1-CD1 4.36Å; V223-I230 HydrophobicContact CG1-CG1 3.83Å; V223-I230 HydrophobicContact CG2-CG1 3.83Å; Y227-I230 HydrophobicContact CD1-CD1 4.23Å; Y227-I230 VanDerWaalsContact O-CB 3.25Å; Y227-I230 WeakPolarHBondContact O-CB 3.45Å; Y227-I230 VanDerWaalsContact O-CG1 3.31Å; Y227-I230 WeakPolarHBondContact O-CG1 3.26Å; Y227-I230 PolarHBondContact O-N 3.07Å; M228-I230 PolarHBondContact O-N 3.16Å; M228-I230 VanDerWaalsContact O-N 3.16Å; I230-Y233 PolarHBondContact O-N 2.93Å; I230-L234 HydrophobicContact CG2-CD1 3.93Å; I230-L234 HydrophobicContact CG2-CG 4.06Å; I230-L234 WeakPolarHBondContact O-CB 3.32Å; I230-L234 VanDerWaalsContact O-CG 3.31Å; I230-L234 WeakPolarHBondContact O-CG 3.27Å; I230-L234 PolarHBondContact O-N 3.47Å
231	F	96.7	Very high	96.4	Very high	30 Å²	30	24.1 Å²	24.1	13%	0.132	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-46.8	-177.5	-57.1	-36	0	0	0	112.2	M228 G229 Y233 L234 L235 L649 P653 F654	M228-F231 HydrophobicContact CB-CD2 4.35Å; M228-F231 HydrophobicContact CB-CE2 4.38Å; M228-F231 HydrophobicContact CG-CE2 4.33Å; M228-F231 WeakPolarHBondContact O-CB 3.29Å; M228-F231 WeakPolarHBondContact O-CD2 3.45Å; M228-F231 PolarHBondContact O-N 3.07Å; M228-F231 VanDerWaalsContact O-N 3.11Å; G229-F231 PolarHBondContact O-N 2.88Å; F231-Y233 VanDerWaalsContact C-N 3.34Å; F231-L234 PolarHBondContact O-N 3.45Å; F231-L235 PolarHBondContact O-N 2.95Å; F231-L649 HydrophobicContact CB-CB 4.41Å; F231-L649 WeakPolarHBondContact CB-O 3.41Å; F231-L649 VanDerWaalsContact CG-O 3.27Å; F231-L649 WeakPolarHBondContact CG-O 3.48Å; F231-P653 HydrophobicContact CD1-CB 4.44Å; F231-P653 HydrophobicContact CD1-CG 3.95Å; F231-P653 HydrophobicContact CE1-CB 3.66Å; F231-P653 HydrophobicContact CE1-CG 3.66Å; F231-P653 HydrophobicContact CE2-CB 4.27Å; F231-P653 HydrophobicContact CE2-CG 4.44Å; F231-P653 HydrophobicContact CG-CG 4.48Å; F231-P653 HydrophobicContact CZ-CB 3.56Å; F231-P653 HydrophobicContact CZ-CG 3.93Å; F231-F654 HydrophobicContact CE2-CE2 4.24Å; F231-F654 HydrophobicContact CE2-CZ 4.06Å
232	T	96.6	Very high	96.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-70.4	-32.5	174.9	-56.1	0	0	0	0	111.7	N185 V189 G229 L235 V236 N650 F672	N185-T232 HydrophobicContact CB-CG2 3.95Å; N185-T232 PolarHBondContact ND2-OG1 3.36Å; N185-T232 WeakPolarHBondContact OD1-CB 3.24Å; N185-T232 PolarHBondContact OD1-OG1 3.12Å; V189-T232 HydrophobicContact CG2-CG2 4.22Å; G229-T232 PolarHBondContact O-N 3.43Å; T232-L235 WeakPolarHBondContact O-CB 3.38Å; T232-L235 PolarHBondContact O-N 3.21Å; T232-V236 WeakPolarHBondContact O-CG2 3.29Å; T232-V236 PolarHBondContact O-N 3.33Å; T232-N650 PolarHBondContact OG1-ND2 3.32Å; T232-N650 VanDerWaalsContact OG1-ND2 3.13Å; T232-N650 PolarHBondContact OG1-OD1 3.47Å; T232-F672 HydrophobicContact CG2-CZ 4Å
233	Y	97.9	Very high	96.1	Very high	35 Å²	35	28.3 Å²	28.3	14%	0.137	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-42.9	173.1	178.6	-145	0	0	0	111.9	C219 V223 G229 I230 F231 L235 V236 L237 L269	C219-Y233 HydrophobicContact CB-CD2 3.56Å; C219-Y233 HydrophobicContact CB-CE2 4.01Å; C219-Y233 HydrophobicContact CB-CG 4.09Å; V223-Y233 HydrophobicContact CG2-CD1 4.19Å; G229-Y233 WeakPolarHBondContact O-CB 3.48Å; G229-Y233 PolarHBondContact O-N 3.32Å; I230-Y233 PolarHBondContact O-N 2.93Å; F231-Y233 VanDerWaalsContact C-N 3.34Å; Y233-L235 VanDerWaalsContact C-N 3.31Å; Y233-L235 PolarHBondContact O-N 3.49Å; Y233-V236 PolarHBondContact O-N 2.85Å; Y233-L237 HydrophobicContact CD1-CD1 4.36Å; Y233-L237 HydrophobicContact CD2-CD1 4.03Å; Y233-L237 HydrophobicContact CD2-CG 3.91Å; Y233-L237 HydrophobicContact CE1-CD1 4.02Å; Y233-L237 HydrophobicContact CE2-CD1 3.68Å; Y233-L237 HydrophobicContact CE2-CD2 3.89Å; Y233-L237 HydrophobicContact CE2-CG 3.63Å; Y233-L237 HydrophobicContact CG-CD1 4.37Å; Y233-L237 WeakPolarHBondContact O-CB 3.47Å; Y233-L237 WeakPolarHBondContact O-CG 3.37Å; Y233-L237 PolarHBondContact O-N 3.17Å; Y233-L269 WeakPolarHBondContact CE2-O 3.13Å; Y233-L269 PolarHBondContact OH-O 2.89Å
234	L	97.6	Very high	95.9	Very high	78 Å²	78	28.2 Å²	28.2	41%	0.408	16%	0.16	S	C	.	.	H	α-helix	trans	-62.5	-36.4	173.3	-72.1	174.9	0	0	0	112.3	I230 F231 L237 S238	I230-L234 HydrophobicContact CG2-CD1 3.93Å; I230-L234 HydrophobicContact CG2-CG 4.06Å; I230-L234 WeakPolarHBondContact O-CB 3.32Å; I230-L234 VanDerWaalsContact O-CG 3.31Å; I230-L234 WeakPolarHBondContact O-CG 3.27Å; I230-L234 PolarHBondContact O-N 3.47Å; F231-L234 PolarHBondContact O-N 3.45Å; L234-L237 PolarHBondContact O-N 3.19Å; L234-S238 VanDerWaalsContact O-CB 3.32Å; L234-S238 WeakPolarHBondContact O-CB 3.47Å; L234-S238 PolarHBondContact O-N 2.9Å; L234-S238 PolarHBondContact O-OG 3.33Å
235	L	97.6	Very high	95.9	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-53.5	172	177.7	70.1	0	0	0	110.9	F231 T232 Y233 L237 S238 I239 A641 L642 L649 F672	F231-L235 PolarHBondContact O-N 2.95Å; T232-L235 WeakPolarHBondContact O-CB 3.38Å; T232-L235 PolarHBondContact O-N 3.21Å; Y233-L235 VanDerWaalsContact C-N 3.31Å; Y233-L235 PolarHBondContact O-N 3.49Å; L235-L237 VanDerWaalsContact C-N 3.33Å; L235-L237 PolarHBondContact O-N 3.29Å; L235-S238 WeakPolarHBondContact O-CB 3.46Å; L235-S238 PolarHBondContact O-N 3Å; L235-S238 VanDerWaalsContact O-N 3.14Å; L235-I239 HydrophobicContact CD1-CD1 4.11Å; L235-I239 HydrophobicContact CG-CD1 4.04Å; L235-I239 WeakPolarHBondContact O-CG1 3.38Å; L235-I239 PolarHBondContact O-N 3.38Å; L235-A641 WeakPolarHBondContact CD1-O 3.47Å; L235-L642 HydrophobicContact CD2-CD1 4.4Å; L235-L649 HydrophobicContact CB-CD1 3.69Å; L235-L649 HydrophobicContact CD1-CD1 4.03Å; L235-L649 HydrophobicContact CG-CD1 4.49Å; L235-F672 HydrophobicContact CD2-CE1 4.02Å; L235-F672 HydrophobicContact CD2-CZ 4.04Å
236	V	97.4	Very high	95.7	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-42.4	-179.1	173.6	0	0	0	0	110.8	V189 Y192 T215 T232 Y233 S238 I239 A240	V189-V236 HydrophobicContact CG2-CG2 4.31Å; Y192-V236 HydrophobicContact CD2-CG1 4.03Å; Y192-V236 HydrophobicContact CG-CG1 4.03Å; T215-V236 HydrophobicContact CG2-CG1 3.75Å; T232-V236 WeakPolarHBondContact O-CG2 3.29Å; T232-V236 PolarHBondContact O-N 3.33Å; Y233-V236 PolarHBondContact O-N 2.85Å; V236-S238 VanDerWaalsContact C-N 3.34Å; V236-S238 PolarHBondContact O-N 3.34Å; V236-I239 PolarHBondContact O-N 2.9Å; V236-A240 VanDerWaalsContact O-CB 3.22Å; V236-A240 WeakPolarHBondContact O-CB 3.42Å; V236-A240 PolarHBondContact O-N 3.08Å
237	L	97.4	Very high	95.6	Very high	44 Å²	44	43.4 Å²	43.4	23%	0.23	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-39.9	174.8	-74.5	176.1	0	0	0	112.3	Y233 L234 L235 A240 A241 L269 L270	Y233-L237 HydrophobicContact CD1-CD1 4.36Å; Y233-L237 HydrophobicContact CD2-CD1 4.03Å; Y233-L237 HydrophobicContact CD2-CG 3.91Å; Y233-L237 HydrophobicContact CE1-CD1 4.02Å; Y233-L237 HydrophobicContact CE2-CD1 3.68Å; Y233-L237 HydrophobicContact CE2-CD2 3.89Å; Y233-L237 HydrophobicContact CE2-CG 3.63Å; Y233-L237 HydrophobicContact CG-CD1 4.37Å; Y233-L237 WeakPolarHBondContact O-CB 3.47Å; Y233-L237 WeakPolarHBondContact O-CG 3.37Å; Y233-L237 PolarHBondContact O-N 3.17Å; L234-L237 PolarHBondContact O-N 3.19Å; L235-L237 VanDerWaalsContact C-N 3.33Å; L235-L237 PolarHBondContact O-N 3.29Å; L237-A240 PolarHBondContact O-N 2.94Å; L237-A241 WeakPolarHBondContact O-CB 3.45Å; L237-A241 PolarHBondContact O-N 3.39Å; L237-L269 HydrophobicContact CD2-CB 4.08Å; L237-L270 HydrophobicContact CD2-CD2 4.14Å
238	S	96.9	Very high	95.6	Very high	65 Å²	65	45.6 Å²	45.6	46%	0.455	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-46.3	178.1	-59.7	0	0	0	0	111.3	L234 L235 V236 A240 A241 V242	L234-S238 VanDerWaalsContact O-CB 3.32Å; L234-S238 WeakPolarHBondContact O-CB 3.47Å; L234-S238 PolarHBondContact O-N 2.9Å; L234-S238 PolarHBondContact O-OG 3.33Å; L235-S238 WeakPolarHBondContact O-CB 3.46Å; L235-S238 PolarHBondContact O-N 3Å; L235-S238 VanDerWaalsContact O-N 3.14Å; V236-S238 VanDerWaalsContact C-N 3.34Å; V236-S238 PolarHBondContact O-N 3.34Å; S238-A240 VanDerWaalsContact C-N 3.32Å; S238-A240 PolarHBondContact O-N 2.86Å; S238-A241 PolarHBondContact O-N 3.23Å; S238-V242 WeakPolarHBondContact O-CG2 3.46Å; S238-V242 PolarHBondContact O-N 2.91Å
239	I	96.4	Very high	95.5	Very high	13 Å²	13	47.7 Å²	47.7	7%	0.067	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-41	175.4	-62	171.2	0	0	0	110.2	Y192 L235 V236 A241 V242 H243 L638 L642	Y192-I239 HydrophobicContact CD1-CG2 4.37Å; Y192-I239 HydrophobicContact CE1-CB 4.32Å; Y192-I239 HydrophobicContact CE1-CG2 3.59Å; L235-I239 HydrophobicContact CD1-CD1 4.11Å; L235-I239 HydrophobicContact CG-CD1 4.04Å; L235-I239 WeakPolarHBondContact O-CG1 3.38Å; L235-I239 PolarHBondContact O-N 3.38Å; V236-I239 PolarHBondContact O-N 2.9Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 3.04Å; I239-V242 PolarHBondContact O-N 3.13Å; I239-H243 WeakPolarHBondContact O-CB 3.34Å; I239-H243 PolarHBondContact O-CD2 3.31Å; I239-H243 VanDerWaalsContact O-CG 3.3Å; I239-H243 PolarHBondContact O-N 3.37Å; I239-L638 HydrophobicContact CG2-CD1 4.22Å; I239-L642 HydrophobicContact CD1-CB 4.45Å; I239-L642 HydrophobicContact CD1-CD1 3.74Å
240	A	96.2	Very high	95.3	Very high	7 Å²	7	50.7 Å²	50.7	6%	0.058	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-38.4	175.2	0	0	0	0	0	113.3	Y192 V236 L237 S238 H243 A244 L269	Y192-A240 HydrophobicContact CE2-CB 3.81Å; Y192-A240 WeakPolarHBondContact OH-CA 3.22Å; V236-A240 VanDerWaalsContact O-CB 3.22Å; V236-A240 WeakPolarHBondContact O-CB 3.42Å; V236-A240 PolarHBondContact O-N 3.08Å; L237-A240 PolarHBondContact O-N 2.94Å; S238-A240 VanDerWaalsContact C-N 3.32Å; S238-A240 PolarHBondContact O-N 2.86Å; A240-H243 PolarHBondContact O-N 2.84Å; A240-A244 WeakPolarHBondContact O-CB 3.48Å; A240-A244 PolarHBondContact O-N 3.17Å; A240-L269 HydrophobicContact CB-CD1 3.77Å
241	A	96.2	Very high	95	Very high	61 Å²	61	56.7 Å²	56.7	50%	0.504	31%	0.305	S	S	.	.	H	α-helix	trans	-65.7	-43.7	175	0	0	0	0	0	111.5	L237 S238 I239 A244 W245	L237-A241 WeakPolarHBondContact O-CB 3.45Å; L237-A241 PolarHBondContact O-N 3.39Å; S238-A241 PolarHBondContact O-N 3.23Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 3.04Å; A241-A244 PolarHBondContact O-N 3.1Å; A241-W245 WeakPolarHBondContact O-CB 3.23Å; A241-W245 PolarHBondContact O-N 3.38Å
242	V	95.4	Very high	94.6	Very high	78 Å²	78	60.9 Å²	60.9	47%	0.473	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-44.4	175.6	176.2	0	0	0	0	111	S238 I239 A244 W245 H246	S238-V242 WeakPolarHBondContact O-CG2 3.46Å; S238-V242 PolarHBondContact O-N 2.91Å; I239-V242 PolarHBondContact O-N 3.13Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 3.01Å; V242-W245 WeakPolarHBondContact O-CB 3.4Å; V242-W245 PolarHBondContact O-N 3.46Å; V242-H246 PolarHBondContact O-CD2 3.41Å; V242-H246 PolarHBondContact O-N 2.98Å
243	H	94.4	Very high	94.2	Very high	21 Å²	21	63.3 Å²	63.3	10%	0.097	35%	0.346	C	S	.	.	H	α-helix	trans	-65.3	-37.6	176.7	-68.2	-176.2	0	0	0	112.2	Y192 F196 I239 A240 W245 H246 L247	Y192-H243 AromaticContact CE1-CE1 3.97Å; Y192-H243 AromaticContact CE1-ND1 3.71Å; Y192-H243 AromaticContact CZ-ND1 3.73Å; Y192-H243 PolarHBondContact OH-ND1 3.12Å; F196-H243 AromaticContact CD1-CE1 3.89Å; F196-H243 HydrophobicContact CD2-CB 4.43Å; F196-H243 AromaticContact CD2-CE1 3.62Å; F196-H243 AromaticContact CD2-CG 3.92Å; F196-H243 AromaticContact CD2-ND1 3.13Å; F196-H243 WeakPolarHBondContact CD2-ND1 3.37Å; F196-H243 AromaticContact CE1-CE1 3.9Å; F196-H243 HydrophobicContact CE2-CB 4.14Å; F196-H243 AromaticContact CE2-CE1 3.63Å; F196-H243 AromaticContact CE2-CG 3.65Å; F196-H243 AromaticContact CE2-ND1 3.27Å; F196-H243 VanDerWaalsContact CE2-ND1 3.27Å; F196-H243 WeakPolarHBondContact CE2-ND1 3.34Å; F196-H243 AromaticContact CG-CE1 3.73Å; F196-H243 AromaticContact CG-ND1 3.65Å; F196-H243 AromaticContact CZ-CE1 3.77Å; F196-H243 AromaticContact CZ-ND1 3.89Å; I239-H243 WeakPolarHBondContact O-CB 3.34Å; I239-H243 PolarHBondContact O-CD2 3.31Å; I239-H243 VanDerWaalsContact O-CG 3.3Å; I239-H243 PolarHBondContact O-N 3.37Å; A240-H243 PolarHBondContact O-N 2.84Å; H243-W245 VanDerWaalsContact C-N 3.34Å; H243-H246 PolarHBondContact O-N 2.82Å; H243-L247 PolarHBondContact O-N 3.39Å
244	A	94.1	Very high	93.9	Very high	13 Å²	13	65.1 Å²	65.1	11%	0.107	36%	0.364	C	S	.	.	H	α-helix	trans	-65.1	-38.5	173.5	0	0	0	0	0	111.7	A240 A241 V242 L247 I248 L262	A240-A244 WeakPolarHBondContact O-CB 3.48Å; A240-A244 PolarHBondContact O-N 3.17Å; A241-A244 PolarHBondContact O-N 3.1Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 3.01Å; A244-L247 WeakPolarHBondContact O-CB 3.33Å; A244-L247 PolarHBondContact O-N 3.02Å; A244-I248 VanDerWaalsContact O-CG1 3.31Å; A244-I248 WeakPolarHBondContact O-CG1 3.23Å; A244-I248 PolarHBondContact O-N 3.47Å; A244-L262 HydrophobicContact CB-CD2 3.78Å
245	W	95.2	Very high	93.7	Very high	190 Å²	190	68.1 Å²	68.1	72%	0.72	38%	0.38	S	S	*	.	H	α-helix	trans	-61.3	-46.1	174.9	-176.6	-99	0	0	0	111.9	A241 V242 H243 L247 I248 G249	A241-W245 WeakPolarHBondContact O-CB 3.23Å; A241-W245 PolarHBondContact O-N 3.38Å; V242-W245 WeakPolarHBondContact O-CB 3.4Å; V242-W245 PolarHBondContact O-N 3.46Å; H243-W245 VanDerWaalsContact C-N 3.34Å; W245-L247 VanDerWaalsContact C-N 3.29Å; W245-L247 PolarHBondContact O-N 3.04Å; W245-I248 PolarHBondContact O-N 3.32Å; W245-G249 PolarHBondContact O-N 3.47Å
246	H	92.2	Very high	93.5	Very high	126 Å²	126	73.1 Å²	73.1	58%	0.583	41%	0.406	S	S	*	.	H	α-helix	trans	-62.1	-37.2	174.6	-72	-59.2	0	0	0	112.6	V242 H243 I248 G249 D250	V242-H246 PolarHBondContact O-CD2 3.41Å; V242-H246 PolarHBondContact O-N 2.98Å; H243-H246 PolarHBondContact O-N 2.82Å; H246-I248 VanDerWaalsContact C-N 3.34Å; H246-I248 PolarHBondContact O-N 3.4Å; H246-G249 PolarHBondContact O-N 2.91Å; H246-D250 PolarHBondContact O-N 3.11Å
247	L	91.9	Very high	93.2	Very high	15 Å²	15	74.6 Å²	74.6	8%	0.079	42%	0.416	C	S	.	.	H	α-helix	trans	-65.4	-36.5	177	-169.3	73.1	0	0	0	112.7	H243 A244 W245 G249 D250 L253 H261	H243-L247 PolarHBondContact O-N 3.39Å; A244-L247 WeakPolarHBondContact O-CB 3.33Å; A244-L247 PolarHBondContact O-N 3.02Å; W245-L247 VanDerWaalsContact C-N 3.29Å; W245-L247 PolarHBondContact O-N 3.04Å; L247-G249 VanDerWaalsContact C-N 3.26Å; L247-G249 PolarHBondContact O-N 2.92Å; L247-D250 PolarHBondContact O-N 3.49Å; L247-L253 HydrophobicContact CD1-CD1 3.37Å; L247-L253 HydrophobicContact CG-CD1 4.2Å; L247-H261 HydrophobicContact CD2-CB 3.41Å; L247-H261 VanDerWaalsContact CD2-CB 3.41Å
248	I	93.2	Very high	93	Very high	93 Å²	93	73.3 Å²	73.3	48%	0.477	41%	0.41	S	S	.	.	H	α-helix	trans	-66.2	-32.7	176.3	-67.5	162.4	0	0	0	110.9	A244 W245 H246 D250 V258 L262	A244-I248 VanDerWaalsContact O-CG1 3.31Å; A244-I248 WeakPolarHBondContact O-CG1 3.23Å; A244-I248 PolarHBondContact O-N 3.47Å; W245-I248 PolarHBondContact O-N 3.32Å; H246-I248 VanDerWaalsContact C-N 3.34Å; H246-I248 PolarHBondContact O-N 3.4Å; I248-D250 VanDerWaalsContact C-N 3.3Å; I248-V258 HydrophobicContact CG1-CG1 4Å; I248-L262 HydrophobicContact CD1-CD1 4.3Å; I248-L262 HydrophobicContact CD1-CD2 4.5Å; I248-L262 HydrophobicContact CG1-CD1 4.33Å
249	G	91.4	Very high	92.9	Very high	59 Å²	59	75.7 Å²	75.7	61%	0.608	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.9	177.3	0	0	0	0	0	114.8	W245 H246 L247 Q251	W245-G249 PolarHBondContact O-N 3.47Å; H246-G249 PolarHBondContact O-N 2.91Å; L247-G249 VanDerWaalsContact C-N 3.26Å; L247-G249 PolarHBondContact O-N 2.92Å; G249-Q251 PolarHBondContact O-N 3.22Å
250	D	90.1	Very high	92.8	Very high	62 Å²	62	77.5 Å²	77.5	33%	0.332	43%	0.431	S	S	.	.			trans	-79.4	104.3	-176.6	-169.7	-10.3	0	0	0	111.5	H246 L247 I248 T252 L253	H246-D250 PolarHBondContact O-N 3.11Å; L247-D250 PolarHBondContact O-N 3.49Å; I248-D250 VanDerWaalsContact C-N 3.3Å; D250-T252 VanDerWaalsContact CG-OG1 3.24Å; D250-T252 PolarHBondContact O-N 2.95Å; D250-T252 WeakPolarHBondContact OD1-CB 3.3Å; D250-T252 WeakPolarHBondContact OD1-CG2 3.4Å; D250-T252 PolarHBondContact OD1-N 3.3Å; D250-T252 PolarHBondContact OD1-OG1 3.05Å; D250-T252 PolarHBondContact OD2-OG1 3.2Å; D250-L253 HydrophobicContact CB-CD1 4.32Å; D250-L253 PolarHBondContact O-N 3.11Å
251	Q	89.8	Confident	92.7	Very high	192 Å²	192	77.4 Å²	77.4	90%	0.897	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-9.8	-179.4	-63	-172.2	-6.2	0	0	113.8	G249 L253	G249-Q251 PolarHBondContact O-N 3.22Å; Q251-L253 VanDerWaalsContact C-N 3.25Å; Q251-L253 PolarHBondContact O-N 3.44Å
252	T	89.7	Confident	92.6	Very high	119 Å²	119	77.4 Å²	77.4	73%	0.73	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-17.6	177.6	69.7	0	0	0	0	112.5	D250	D250-T252 VanDerWaalsContact CG-OG1 3.24Å; D250-T252 PolarHBondContact O-N 2.95Å; D250-T252 WeakPolarHBondContact OD1-CB 3.3Å; D250-T252 WeakPolarHBondContact OD1-CG2 3.4Å; D250-T252 PolarHBondContact OD1-N 3.3Å; D250-T252 PolarHBondContact OD1-OG1 3.05Å; D250-T252 PolarHBondContact OD2-OG1 3.2Å
253	L	88	Confident	92.6	Very high	52 Å²	52	79 Å²	79	27%	0.272	43%	0.426	S	S	.	.	S	Bend	trans	-100.3	141.6	-176.1	-61.7	176.3	0	0	0	111.7	L247 D250 Q251 V258	L247-L253 HydrophobicContact CD1-CD1 3.37Å; L247-L253 HydrophobicContact CG-CD1 4.2Å; D250-L253 HydrophobicContact CB-CD1 4.32Å; D250-L253 PolarHBondContact O-N 3.11Å; Q251-L253 VanDerWaalsContact C-N 3.25Å; Q251-L253 PolarHBondContact O-N 3.44Å; L253-V258 HydrophobicContact CB-CG2 3.95Å
254	S	91.9	Very high	92.7	Very high	72 Å²	72	78.2 Å²	78.2	50%	0.503	42%	0.423	S	S	.	.			trans	-70.9	148.2	172.8	68	0	0	0	0	111.6	I256 C257 V258	S254-I256 PolarHBondContact O-N 2.88Å; S254-I256 VanDerWaalsContact O-N 3.13Å; S254-C257 WeakPolarHBondContact O-CA 3.38Å; S254-C257 VanDerWaalsContact O-CB 3.3Å; S254-C257 WeakPolarHBondContact O-CB 3.37Å; S254-C257 PolarHBondContact O-N 3.06Å; S254-C257 WeakPolarHBondContact OG-CB 3.36Å; S254-C257 PolarHBondContact OG-N 3.4Å; S254-V258 PolarHBondContact O-N 3.34Å
255	N	92	Very high	92.8	Very high	142 Å²	142	78.2 Å²	78.2	76%	0.759	42%	0.42	S	S	*	.	H	α-helix	trans	-53.9	-35.3	176.8	-65.9	-12.7	0	0	0	113	V258 L259	N255-V258 PolarHBondContact O-N 3.43Å; N255-L259 WeakPolarHBondContact O-CB 3.22Å; N255-L259 PolarHBondContact O-N 2.87Å
256	I	92.8	Very high	92.8	Very high	110 Å²	110	71 Å²	71	56%	0.564	40%	0.401	S	S	*	.	H	α-helix	trans	-67.3	-40.7	177.1	-59.6	172.9	0	0	0	110.5	S254 L259 S260	S254-I256 PolarHBondContact O-N 2.88Å; S254-I256 VanDerWaalsContact O-N 3.13Å; I256-L259 PolarHBondContact O-N 3.14Å; I256-S260 WeakPolarHBondContact O-CB 3.44Å; I256-S260 PolarHBondContact O-N 3.38Å; I256-S260 PolarHBondContact O-OG 3.14Å
257	C	91.8	Very high	93	Very high	33 Å²	33	67.8 Å²	67.8	22%	0.223	39%	0.39	C	S	.	.	H	α-helix	trans	-64.5	-45.6	176.4	-171.2	0	0	0	0	110.9	S254 L259 S260 H261	S254-C257 WeakPolarHBondContact O-CA 3.38Å; S254-C257 VanDerWaalsContact O-CB 3.3Å; S254-C257 WeakPolarHBondContact O-CB 3.37Å; S254-C257 PolarHBondContact O-N 3.06Å; S254-C257 WeakPolarHBondContact OG-CB 3.36Å; S254-C257 PolarHBondContact OG-N 3.4Å; C257-L259 PolarHBondContact O-N 3.49Å; C257-S260 WeakPolarHBondContact O-CB 3.41Å; C257-S260 PolarHBondContact O-N 2.88Å; C257-H261 PolarHBondContact O-CD2 2.94Å; C257-H261 VanDerWaalsContact O-CD2 3.32Å; C257-H261 PolarHBondContact O-N 3.08Å
258	V	93.4	Very high	93.3	Very high	17 Å²	17	67.1 Å²	67.1	10%	0.103	39%	0.386	C	S	.	.	H	α-helix	trans	-59.4	-48.6	175.9	176.9	0	0	0	0	110.6	I248 L253 S254 N255 S260 H261 L262	I248-V258 HydrophobicContact CG1-CG1 4Å; L253-V258 HydrophobicContact CB-CG2 3.95Å; S254-V258 PolarHBondContact O-N 3.34Å; N255-V258 PolarHBondContact O-N 3.43Å; V258-S260 VanDerWaalsContact C-N 3.31Å; V258-S260 PolarHBondContact O-N 3.43Å; V258-H261 WeakPolarHBondContact O-CB 3.4Å; V258-H261 PolarHBondContact O-N 3.47Å; V258-H261 VanDerWaalsContact O-N 3.14Å; V258-L262 HydrophobicContact CG1-CD1 4.18Å; V258-L262 HydrophobicContact CG1-CG 4.47Å; V258-L262 WeakPolarHBondContact O-CG 3.47Å; V258-L262 PolarHBondContact O-N 3.27Å
259	L	94.4	Very high	93.4	Very high	115 Å²	115	62.9 Å²	62.9	60%	0.602	37%	0.365	S	S	*	.	H	α-helix	trans	-57.8	-43.1	175.5	-178.9	62.2	0	0	0	112	N255 I256 C257 H261 L262 L263	N255-L259 WeakPolarHBondContact O-CB 3.22Å; N255-L259 PolarHBondContact O-N 2.87Å; I256-L259 PolarHBondContact O-N 3.14Å; C257-L259 PolarHBondContact O-N 3.49Å; L259-H261 VanDerWaalsContact C-N 3.3Å; L259-H261 PolarHBondContact O-N 3.46Å; L259-L262 PolarHBondContact O-N 3.3Å; L259-L263 WeakPolarHBondContact O-CB 3.43Å; L259-L263 PolarHBondContact O-N 2.94Å
260	S	94.5	Very high	93.7	Very high	51 Å²	51	64.3 Å²	64.3	36%	0.357	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-40.5	177.8	-55.7	0	0	0	0	111.6	I256 C257 V258 A264	I256-S260 WeakPolarHBondContact O-CB 3.44Å; I256-S260 PolarHBondContact O-N 3.38Å; I256-S260 PolarHBondContact O-OG 3.14Å; C257-S260 WeakPolarHBondContact O-CB 3.41Å; C257-S260 PolarHBondContact O-N 2.88Å; V258-S260 VanDerWaalsContact C-N 3.31Å; V258-S260 PolarHBondContact O-N 3.43Å; S260-A264 WeakPolarHBondContact O-CB 3.41Å; S260-A264 PolarHBondContact O-N 2.71Å
261	H	94	Very high	94	Very high	5 Å²	5	65.7 Å²	65.7	2%	0.023	37%	0.368	C	S	.	.	H	α-helix	trans	-67.3	-38.1	176.5	-90.5	-63.6	0	0	0	113.1	F204 W208 L247 C257 V258 L259 R265	F204-H261 AromaticContact CE2-CD2 3.71Å; F204-H261 AromaticContact CE2-CE1 3.54Å; F204-H261 AromaticContact CE2-ND1 3.99Å; F204-H261 AromaticContact CE2-NE2 3.34Å; F204-H261 VanDerWaalsContact CE2-NE2 3.34Å; F204-H261 WeakPolarHBondContact CE2-NE2 3.47Å; F204-H261 HydrophobicContact CZ-CB 4.42Å; F204-H261 AromaticContact CZ-CD2 3.74Å; F204-H261 AromaticContact CZ-CE1 3.76Å; F204-H261 AromaticContact CZ-CG 3.7Å; F204-H261 AromaticContact CZ-ND1 3.72Å; F204-H261 AromaticContact CZ-NE2 3.78Å; W208-H261 AromaticContact CZ2-CE1 3.95Å; W208-H261 AromaticContact CZ2-ND1 3.56Å; L247-H261 HydrophobicContact CD2-CB 3.41Å; L247-H261 VanDerWaalsContact CD2-CB 3.41Å; C257-H261 PolarHBondContact O-CD2 2.94Å; C257-H261 VanDerWaalsContact O-CD2 3.32Å; C257-H261 PolarHBondContact O-N 3.08Å; V258-H261 WeakPolarHBondContact O-CB 3.4Å; V258-H261 PolarHBondContact O-N 3.47Å; V258-H261 VanDerWaalsContact O-N 3.14Å; L259-H261 VanDerWaalsContact C-N 3.3Å; L259-H261 PolarHBondContact O-N 3.46Å; H261-R265 WeakPolarHBondContact O-CG 3.47Å; H261-R265 PolarHBondContact O-N 2.87Å; H261-R265 PolarHBondContact O-NH1 3.06Å; H261-R265 VanDerWaalsContact O-NH1 3.08Å
262	L	94.9	Very high	94.4	Very high	60 Å²	60	57.7 Å²	57.7	31%	0.314	33%	0.333	S	S	.	.	H	α-helix	trans	-68.8	-44.6	176.1	-68.5	175.2	0	0	0	110.9	A244 I248 V258 L259 A264 R265 A266	A244-L262 HydrophobicContact CB-CD2 3.78Å; I248-L262 HydrophobicContact CD1-CD1 4.3Å; I248-L262 HydrophobicContact CD1-CD2 4.5Å; I248-L262 HydrophobicContact CG1-CD1 4.33Å; V258-L262 HydrophobicContact CG1-CD1 4.18Å; V258-L262 HydrophobicContact CG1-CG 4.47Å; V258-L262 WeakPolarHBondContact O-CG 3.47Å; V258-L262 PolarHBondContact O-N 3.27Å; L259-L262 PolarHBondContact O-N 3.3Å; L262-A264 PolarHBondContact O-N 3.42Å; L262-R265 PolarHBondContact O-N 3.34Å; L262-A266 WeakPolarHBondContact O-CB 3.25Å; L262-A266 PolarHBondContact O-N 3.49Å
263	L	95.8	Very high	94.8	Very high	112 Å²	112	52.3 Å²	52.3	59%	0.586	30%	0.3	S	S	*	.	H	α-helix	trans	-62.5	-44.3	178.1	-173.4	66.7	0	0	0	111.5	L259 R265 A266 V267	L259-L263 WeakPolarHBondContact O-CB 3.43Å; L259-L263 PolarHBondContact O-N 2.94Å; L263-R265 VanDerWaalsContact C-N 3.33Å; L263-R265 PolarHBondContact O-N 2.92Å; L263-A266 PolarHBondContact O-N 3.34Å; L263-V267 WeakPolarHBondContact O-CG2 3.49Å; L263-V267 PolarHBondContact O-N 3.46Å
264	A	95.3	Very high	95.2	Very high	5 Å²	5	54.1 Å²	54.1	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-59.2	-43.6	176.6	0	0	0	0	0	112	W208 W209 L212 S260 L262 A268	W208-A264 HydrophobicContact CH2-CB 3.69Å; W208-A264 HydrophobicContact CZ3-CB 3.96Å; W209-A264 HydrophobicContact CH2-CB 3.65Å; W209-A264 HydrophobicContact CZ2-CB 3.85Å; W209-A264 HydrophobicContact CZ3-CB 4.41Å; L212-A264 HydrophobicContact CD2-CB 4.25Å; S260-A264 WeakPolarHBondContact O-CB 3.41Å; S260-A264 PolarHBondContact O-N 2.71Å; L262-A264 PolarHBondContact O-N 3.42Å; A264-A268 WeakPolarHBondContact O-CB 3.36Å; A264-A268 PolarHBondContact O-N 3.15Å
265	R	95.6	Very high	95.4	Very high	13 Å²	13	57.1 Å²	57.1	5%	0.049	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-45	174.2	-74.9	174.9	177.3	76.6	-2	112	F195 H261 L262 L263 V267 A268 L269	F195-R265 HydrophobicContact CZ-CG 4.36Å; H261-R265 WeakPolarHBondContact O-CG 3.47Å; H261-R265 PolarHBondContact O-N 2.87Å; H261-R265 PolarHBondContact O-NH1 3.06Å; H261-R265 VanDerWaalsContact O-NH1 3.08Å; L262-R265 PolarHBondContact O-N 3.34Å; L263-R265 VanDerWaalsContact C-N 3.33Å; L263-R265 PolarHBondContact O-N 2.92Å; R265-V267 VanDerWaalsContact C-N 3.35Å; R265-V267 PolarHBondContact O-N 3.49Å; R265-A268 PolarHBondContact O-N 3.48Å; R265-L269 HydrophobicContact CB-CD1 4.47Å; R265-L269 WeakPolarHBondContact O-CA 3.29Å; R265-L269 WeakPolarHBondContact O-CB 3.38Å; R265-L269 WeakPolarHBondContact O-CG 3.15Å; R265-L269 PolarHBondContact O-N 3.39Å
266	A	96.1	Very high	95.7	Very high	39 Å²	39	51.8 Å²	51.8	32%	0.322	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-42.9	179.1	0	0	0	0	0	111.8	L262 L263 L270 V271	L262-A266 WeakPolarHBondContact O-CB 3.25Å; L262-A266 PolarHBondContact O-N 3.49Å; L263-A266 PolarHBondContact O-N 3.34Å; A266-L270 HydrophobicContact CB-CD1 4.47Å; A266-L270 WeakPolarHBondContact O-CA 3.39Å; A266-L270 VanDerWaalsContact O-CB 3.24Å; A266-L270 WeakPolarHBondContact O-CB 3.28Å; A266-L270 PolarHBondContact O-N 2.95Å; A266-V271 PolarHBondContact O-N 3.34Å
267	V	96.8	Very high	95.9	Very high	58 Å²	58	48.1 Å²	48.1	35%	0.352	27%	0.268	S	S	.	.	I	π-helix	trans	-62.4	-52.4	176.5	171.3	0	0	0	0	110.6	L263 R265 V271 V272	L263-V267 WeakPolarHBondContact O-CG2 3.49Å; L263-V267 PolarHBondContact O-N 3.46Å; R265-V267 VanDerWaalsContact C-N 3.35Å; R265-V267 PolarHBondContact O-N 3.49Å; V267-V271 WeakPolarHBondContact O-CB 3.33Å; V267-V271 PolarHBondContact O-N 3.22Å; V267-V272 WeakPolarHBondContact O-CG2 3.45Å; V267-V272 PolarHBondContact O-N 3.03Å
268	A	97	Very high	96.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.269	C	S	.	.	I	π-helix	trans	-75.3	-33.6	-173.9	0	0	0	0	0	114	L212 M213 G216 A264 R265 P273	L212-A268 HydrophobicContact CD1-CB 4.01Å; L212-A268 HydrophobicContact CD2-CB 3.87Å; L212-A268 HydrophobicContact CG-CB 3.47Å; L212-A268 VanDerWaalsContact CG-CB 3.47Å; M213-A268 HydrophobicContact SD-CB 3.84Å; G216-A268 WeakPolarHBondContact CA-O 3.39Å; A264-A268 WeakPolarHBondContact O-CB 3.36Å; A264-A268 PolarHBondContact O-N 3.15Å; R265-A268 PolarHBondContact O-N 3.48Å; A268-P273 VanDerWaalsContact O-CD 3.29Å; A268-P273 WeakPolarHBondContact O-CD 3.4Å
269	L	96.8	Very high	96.3	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.026	28%	0.281	C	S	.	.	I	π-helix	trans	-100.1	-9.2	-175.1	-58.1	179.3	0	0	0	113.7	L212 T215 Y233 L237 A240 R265	L212-L269 HydrophobicContact CD1-CD1 4.48Å; L212-L269 HydrophobicContact CD1-CD2 4.24Å; L212-L269 HydrophobicContact CD1-CG 4.18Å; T215-L269 HydrophobicContact CG2-CD2 3.64Å; Y233-L269 WeakPolarHBondContact CE2-O 3.13Å; Y233-L269 PolarHBondContact OH-O 2.89Å; L237-L269 HydrophobicContact CD2-CB 4.08Å; A240-L269 HydrophobicContact CB-CD1 3.77Å; R265-L269 HydrophobicContact CB-CD1 4.47Å; R265-L269 WeakPolarHBondContact O-CA 3.29Å; R265-L269 WeakPolarHBondContact O-CB 3.38Å; R265-L269 WeakPolarHBondContact O-CG 3.15Å; R265-L269 PolarHBondContact O-N 3.39Å
270	L	96.6	Very high	96.4	Very high	89 Å²	89	46.7 Å²	46.7	47%	0.466	26%	0.256	S	S	.	.	I	π-helix	trans	-124.2	-53.7	175.9	-55.8	172.1	0	0	0	112.1	L237 A266 P273 V274	L237-L270 HydrophobicContact CD2-CD2 4.14Å; A266-L270 HydrophobicContact CB-CD1 4.47Å; A266-L270 WeakPolarHBondContact O-CA 3.39Å; A266-L270 VanDerWaalsContact O-CB 3.24Å; A266-L270 WeakPolarHBondContact O-CB 3.28Å; A266-L270 PolarHBondContact O-N 2.95Å; L270-P273 WeakPolarHBondContact O-CD 3.24Å; L270-V274 VanDerWaalsContact O-CG2 3.24Å; L270-V274 WeakPolarHBondContact O-CG2 3.3Å; L270-V274 PolarHBondContact O-N 3.05Å
271	V	97.6	Very high	96.5	Very high	90 Å²	90	44.3 Å²	44.3	55%	0.545	24%	0.24	S	C	.	.	I	π-helix	trans	-68.9	-48.8	-174.8	-178.2	0	0	0	0	111.5	A266 V267 V274 F275	A266-V271 PolarHBondContact O-N 3.34Å; V267-V271 WeakPolarHBondContact O-CB 3.33Å; V267-V271 PolarHBondContact O-N 3.22Å; V271-V274 PolarHBondContact O-N 3.5Å; V271-F275 WeakPolarHBondContact O-CB 3.38Å; V271-F275 PolarHBondContact O-N 3.25Å
272	V	97.3	Very high	96.6	Very high	24 Å²	24	49.4 Å²	49.4	15%	0.145	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-47	-179.6	170	0	0	0	0	111.9	M213 V217 V267 V274 F275 L276	M213-V272 HydrophobicContact CE-CB 4.5Å; M213-V272 HydrophobicContact CE-CG1 4.26Å; M213-V272 HydrophobicContact CE-CG2 3.55Å; M213-V272 HydrophobicContact SD-CG2 4.09Å; V217-V272 HydrophobicContact CG2-CG1 4.31Å; V267-V272 WeakPolarHBondContact O-CG2 3.45Å; V267-V272 PolarHBondContact O-N 3.03Å; V272-V274 PolarHBondContact O-N 3.38Å; V272-F275 PolarHBondContact O-N 2.8Å; V272-L276 HydrophobicContact CG1-CD1 3.89Å; V272-L276 HydrophobicContact CG1-CG 4.48Å; V272-L276 WeakPolarHBondContact O-CG 3.2Å; V272-L276 PolarHBondContact O-N 3.44Å
273	P	97.4	Very high	96.7	Very high	7 Å²	7	49 Å²	49	5%	0.045	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-40.9	178.1	-26.2	33.8	0	0	0	114.3	S220 A268 L270 L276 Y277	S220-P273 PolarHBondContact OG-O 3.28Å; A268-P273 VanDerWaalsContact O-CD 3.29Å; A268-P273 WeakPolarHBondContact O-CD 3.4Å; L270-P273 WeakPolarHBondContact O-CD 3.24Å; P273-L276 PolarHBondContact O-N 3.03Å; P273-Y277 WeakPolarHBondContact O-CB 3.45Å; P273-Y277 PolarHBondContact O-N 3.48Å
274	V	96.6	Very high	96.6	Very high	90 Å²	90	44.1 Å²	44.1	55%	0.545	23%	0.234	S	C	.	.	H	α-helix	trans	-64.2	-45.8	177.4	170.4	0	0	0	0	110.8	L270 V271 V272 L276 Y277 L278	L270-V274 VanDerWaalsContact O-CG2 3.24Å; L270-V274 WeakPolarHBondContact O-CG2 3.3Å; L270-V274 PolarHBondContact O-N 3.05Å; V271-V274 PolarHBondContact O-N 3.5Å; V272-V274 PolarHBondContact O-N 3.38Å; V274-L276 PolarHBondContact O-N 3.43Å; V274-Y277 PolarHBondContact O-N 3.26Å; V274-L278 HydrophobicContact CG1-CD1 4.35Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 3.3Å
275	F	97.5	Very high	96.6	Very high	134 Å²	134	44.3 Å²	44.3	59%	0.588	23%	0.234	S	C	*	.	H	α-helix	trans	-59.8	-46.5	178	176.1	-97.6	0	0	0	112	V271 V272 L278 L279	V271-F275 WeakPolarHBondContact O-CB 3.38Å; V271-F275 PolarHBondContact O-N 3.25Å; V272-F275 PolarHBondContact O-N 2.8Å; F275-L278 PolarHBondContact O-N 3.23Å; F275-L279 WeakPolarHBondContact O-CB 3.46Å; F275-L279 PolarHBondContact O-N 2.97Å
276	L	97.4	Very high	96.5	Very high	30 Å²	30	49.3 Å²	49.3	16%	0.157	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-38.1	179	-75	173.7	0	0	0	112.5	V217 S220 V272 P273 V274 L278 L279 F280	V217-L276 HydrophobicContact CB-CD1 4.11Å; V217-L276 HydrophobicContact CG1-CD1 4.17Å; V217-L276 HydrophobicContact CG2-CD1 3.81Å; S220-L276 WeakPolarHBondContact OG-CB 3.16Å; V272-L276 HydrophobicContact CG1-CD1 3.89Å; V272-L276 HydrophobicContact CG1-CG 4.48Å; V272-L276 WeakPolarHBondContact O-CG 3.2Å; V272-L276 PolarHBondContact O-N 3.44Å; P273-L276 PolarHBondContact O-N 3.03Å; V274-L276 PolarHBondContact O-N 3.43Å; L276-L278 PolarHBondContact O-N 2.82Å; L276-L279 HydrophobicContact CD2-CD2 4.11Å; L276-L279 WeakPolarHBondContact O-CB 3.34Å; L276-L279 PolarHBondContact O-N 3.42Å; L276-L279 VanDerWaalsContact O-N 3.15Å; L276-F280 HydrophobicContact CB-CE2 4.48Å; L276-F280 HydrophobicContact CB-CZ 4.22Å; L276-F280 WeakPolarHBondContact O-CD1 3.35Å; L276-F280 WeakPolarHBondContact O-CD2 3.49Å; L276-F280 WeakPolarHBondContact O-CG 3.23Å; L276-F280 PolarHBondContact O-N 3.27Å
277	Y	96.7	Very high	96.4	Very high	34 Å²	34	50.6 Å²	50.6	13%	0.133	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-46.7	175.3	-173.7	-102	0	0	0	111.2	P88 S220 V223 Y227 P273 V274 L279 F280 F281 F546 Q550	P88-Y277 HydrophobicContact CB-CE2 3.94Å; P88-Y277 HydrophobicContact CG-CE2 3.87Å; S220-Y277 PolarHBondContact OG-N 2.83Å; V223-Y277 HydrophobicContact CG1-CD2 4.05Å; V223-Y277 HydrophobicContact CG1-CE2 3.88Å; Y227-Y277 WeakPolarHBondContact CE1-OH 3.12Å; P273-Y277 WeakPolarHBondContact O-CB 3.45Å; P273-Y277 PolarHBondContact O-N 3.48Å; V274-Y277 PolarHBondContact O-N 3.26Å; Y277-L279 VanDerWaalsContact C-N 3.3Å; Y277-L279 PolarHBondContact O-N 3.18Å; Y277-F280 PolarHBondContact O-N 2.95Å; Y277-F281 HydrophobicContact CD1-CD2 4.29Å; Y277-F281 HydrophobicContact CD1-CE2 4.34Å; Y277-F281 HydrophobicContact CD2-CE2 4.38Å; Y277-F281 AromaticContact CE1-CD2 3.98Å; Y277-F281 HydrophobicContact CE1-CD2 3.98Å; Y277-F281 AromaticContact CE1-CE2 3.67Å; Y277-F281 HydrophobicContact CE1-CE2 3.67Å; Y277-F281 HydrophobicContact CE2-CD2 4.46Å; Y277-F281 AromaticContact CE2-CE2 3.73Å; Y277-F281 HydrophobicContact CE2-CE2 3.73Å; Y277-F281 AromaticContact CZ-CE2 3.33Å; Y277-F281 WeakPolarHBondContact O-CD2 3.35Å; Y277-F281 PolarHBondContact O-N 3.46Å; Y277-F281 WeakPolarHBondContact OH-CE2 3.31Å; Y277-F546 HydrophobicContact CD1-CE2 4.47Å; Y277-F546 HydrophobicContact CD1-CZ 4.31Å; Y277-F546 HydrophobicContact CE1-CE2 4.07Å; Y277-F546 AromaticContact CE1-CZ 3.97Å; Y277-F546 HydrophobicContact CE1-CZ 3.97Å; Y277-Q550 PolarHBondContact OH-OE1 3.28Å
278	L	97	Very high	96.3	Very high	49 Å²	49	47.9 Å²	47.9	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-39	173.7	-67.5	176.1	0	0	0	112	V274 F275 L276 F280 F281 Y282 F542 M543 F546	V274-L278 HydrophobicContact CG1-CD1 4.35Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 3.3Å; F275-L278 PolarHBondContact O-N 3.23Å; L276-L278 PolarHBondContact O-N 2.82Å; L278-F280 VanDerWaalsContact C-N 3.35Å; L278-F280 PolarHBondContact O-N 3.44Å; L278-F281 PolarHBondContact O-N 2.78Å; L278-Y282 WeakPolarHBondContact O-CB 3.47Å; L278-Y282 PolarHBondContact O-N 3.43Å; L278-F542 WeakPolarHBondContact O-CZ 3.34Å; L278-M543 HydrophobicContact CD2-CE 4.37Å; L278-F546 HydrophobicContact CD2-CD1 3.97Å; L278-F546 HydrophobicContact CD2-CD2 4.45Å; L278-F546 HydrophobicContact CD2-CE1 3.53Å; L278-F546 HydrophobicContact CD2-CE2 4.06Å; L278-F546 HydrophobicContact CD2-CG 4.4Å; L278-F546 HydrophobicContact CD2-CZ 3.57Å
279	L	96.9	Very high	95.9	Very high	67 Å²	67	51.3 Å²	51.3	35%	0.351	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-40.8	176.2	-179.5	64.6	0	0	0	112	F275 L276 Y277 F281 Y282 V283	F275-L279 WeakPolarHBondContact O-CB 3.46Å; F275-L279 PolarHBondContact O-N 2.97Å; L276-L279 HydrophobicContact CD2-CD2 4.11Å; L276-L279 WeakPolarHBondContact O-CB 3.34Å; L276-L279 PolarHBondContact O-N 3.42Å; L276-L279 VanDerWaalsContact O-N 3.15Å; Y277-L279 VanDerWaalsContact C-N 3.3Å; Y277-L279 PolarHBondContact O-N 3.18Å; L279-F281 VanDerWaalsContact C-N 3.35Å; L279-F281 PolarHBondContact O-N 3.12Å; L279-Y282 WeakPolarHBondContact O-CB 3.5Å; L279-Y282 PolarHBondContact O-N 3.46Å; L279-V283 HydrophobicContact CD1-CG2 4.3Å; L279-V283 WeakPolarHBondContact O-CG2 3.41Å; L279-V283 PolarHBondContact O-N 3.46Å
280	F	97	Very high	95.7	Very high	18 Å²	18	56.1 Å²	56.1	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-44.4	177.2	-58.5	-31.2	0	0	0	111.7	F90 M93 L276 Y277 L278 V283 H284	F90-F280 HydrophobicContact CB-CB 4.34Å; F90-F280 HydrophobicContact CB-CD1 4.45Å; F90-F280 HydrophobicContact CB-CD2 3.91Å; F90-F280 HydrophobicContact CB-CE2 4.31Å; F90-F280 HydrophobicContact CB-CG 3.99Å; F90-F280 HydrophobicContact CD1-CE2 4.23Å; F90-F280 HydrophobicContact CD1-CZ 4.18Å; F90-F280 AromaticContact CD2-CD1 3.51Å; F90-F280 HydrophobicContact CD2-CD1 3.51Å; F90-F280 HydrophobicContact CD2-CD2 4.32Å; F90-F280 AromaticContact CD2-CE1 3.53Å; F90-F280 HydrophobicContact CD2-CE1 3.53Å; F90-F280 HydrophobicContact CD2-CE2 4.34Å; F90-F280 AromaticContact CD2-CG 3.94Å; F90-F280 HydrophobicContact CD2-CG 3.94Å; F90-F280 AromaticContact CD2-CZ 3.97Å; F90-F280 HydrophobicContact CD2-CZ 3.97Å; F90-F280 HydrophobicContact CE1-CZ 4.27Å; F90-F280 AromaticContact CE2-CD1 3.97Å; F90-F280 HydrophobicContact CE2-CD1 3.97Å; F90-F280 AromaticContact CE2-CE1 3.57Å; F90-F280 HydrophobicContact CE2-CE1 3.57Å; F90-F280 HydrophobicContact CE2-CZ 4.05Å; F90-F280 HydrophobicContact CG-CD1 4.09Å; F90-F280 HydrophobicContact CG-CD2 4.07Å; F90-F280 HydrophobicContact CG-CE1 4.07Å; F90-F280 HydrophobicContact CG-CE2 4.05Å; F90-F280 HydrophobicContact CG-CG 4.1Å; F90-F280 HydrophobicContact CG-CZ 4.05Å; F90-F280 HydrophobicContact CZ-CE1 4.14Å; F90-F280 HydrophobicContact CZ-CZ 4.21Å; M93-F280 HydrophobicContact CE-CB 3.98Å; M93-F280 WeakPolarHBondContact CE-O 3.18Å; L276-F280 HydrophobicContact CB-CE2 4.48Å; L276-F280 HydrophobicContact CB-CZ 4.22Å; L276-F280 WeakPolarHBondContact O-CD1 3.35Å; L276-F280 WeakPolarHBondContact O-CD2 3.49Å; L276-F280 WeakPolarHBondContact O-CG 3.23Å; L276-F280 PolarHBondContact O-N 3.27Å; Y277-F280 PolarHBondContact O-N 2.95Å; L278-F280 VanDerWaalsContact C-N 3.35Å; L278-F280 PolarHBondContact O-N 3.44Å; F280-V283 PolarHBondContact O-N 2.78Å; F280-H284 VanDerWaalsContact O-CB 3.32Å; F280-H284 WeakPolarHBondContact O-CB 3.34Å; F280-H284 PolarHBondContact O-N 2.91Å
281	F	96	Very high	95.4	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-68.7	-34.4	175.3	-82.3	-82.2	0	0	0	113.3	P88 P89 Y277 L278 L279 H284 L285 F542 F546 L549 M553	P88-F281 HydrophobicContact CB-CE2 3.91Å; P88-F281 HydrophobicContact CB-CZ 3.83Å; P89-F281 VanDerWaalsContact CD-CE1 3.47Å; P89-F281 HydrophobicContact CG-CD1 4.06Å; P89-F281 HydrophobicContact CG-CD2 4.47Å; P89-F281 HydrophobicContact CG-CE1 3.9Å; P89-F281 HydrophobicContact CG-CE2 4.3Å; P89-F281 HydrophobicContact CG-CG 4.35Å; P89-F281 HydrophobicContact CG-CZ 4.02Å; Y277-F281 HydrophobicContact CD1-CD2 4.29Å; Y277-F281 HydrophobicContact CD1-CE2 4.34Å; Y277-F281 HydrophobicContact CD2-CE2 4.38Å; Y277-F281 AromaticContact CE1-CD2 3.98Å; Y277-F281 HydrophobicContact CE1-CD2 3.98Å; Y277-F281 AromaticContact CE1-CE2 3.67Å; Y277-F281 HydrophobicContact CE1-CE2 3.67Å; Y277-F281 HydrophobicContact CE2-CD2 4.46Å; Y277-F281 AromaticContact CE2-CE2 3.73Å; Y277-F281 HydrophobicContact CE2-CE2 3.73Å; Y277-F281 AromaticContact CZ-CE2 3.33Å; Y277-F281 WeakPolarHBondContact O-CD2 3.35Å; Y277-F281 PolarHBondContact O-N 3.46Å; Y277-F281 WeakPolarHBondContact OH-CE2 3.31Å; L278-F281 PolarHBondContact O-N 2.78Å; L279-F281 VanDerWaalsContact C-N 3.35Å; L279-F281 PolarHBondContact O-N 3.12Å; F281-H284 PolarHBondContact O-N 3.24Å; F281-L285 WeakPolarHBondContact O-CB 3.18Å; F281-L285 WeakPolarHBondContact O-CG 3.33Å; F281-L285 PolarHBondContact O-N 2.91Å; F281-F542 HydrophobicContact CB-CE2 4.42Å; F281-F542 HydrophobicContact CB-CZ 4.29Å; F281-F546 HydrophobicContact CB-CD2 3.58Å; F281-F546 HydrophobicContact CB-CE2 3.91Å; F281-F546 HydrophobicContact CD1-CD2 4.06Å; F281-F546 HydrophobicContact CD1-CE2 4.22Å; F281-F546 HydrophobicContact CD2-CD2 4.12Å; F281-F546 AromaticContact CD2-CE2 3.59Å; F281-F546 HydrophobicContact CD2-CE2 3.59Å; F281-F546 HydrophobicContact CE2-CE2 4.21Å; F281-F546 AromaticContact CG-CD2 3.62Å; F281-F546 HydrophobicContact CG-CD2 3.62Å; F281-F546 AromaticContact CG-CE2 3.61Å; F281-F546 HydrophobicContact CG-CE2 3.61Å; F281-L549 HydrophobicContact CD1-CD2 3.73Å; F281-L549 HydrophobicContact CE1-CD2 3.83Å; F281-M553 HydrophobicContact CE1-SD 3.88Å; F281-M553 HydrophobicContact CZ-CE 4.37Å; F281-M553 HydrophobicContact CZ-SD 4.17Å
282	Y	95.9	Very high	95	Very high	112 Å²	112	49.7 Å²	49.7	44%	0.439	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-48.8	174.4	-179	-98	0	0	0	111.1	L278 L279 M286 F542	L278-Y282 WeakPolarHBondContact O-CB 3.47Å; L278-Y282 PolarHBondContact O-N 3.43Å; L279-Y282 WeakPolarHBondContact O-CB 3.5Å; L279-Y282 PolarHBondContact O-N 3.46Å; Y282-M286 HydrophobicContact CE1-CE 4.46Å; Y282-M286 VanDerWaalsContact O-CB 3.25Å; Y282-M286 WeakPolarHBondContact O-CB 3.47Å; Y282-M286 PolarHBondContact O-N 3.22Å; Y282-F542 AromaticContact CD2-CD1 3.96Å; Y282-F542 HydrophobicContact CD2-CD1 3.96Å; Y282-F542 AromaticContact CD2-CD2 3.89Å; Y282-F542 HydrophobicContact CD2-CD2 3.89Å; Y282-F542 HydrophobicContact CD2-CE1 4.14Å; Y282-F542 HydrophobicContact CD2-CE2 4.07Å; Y282-F542 AromaticContact CD2-CG 3.86Å; Y282-F542 HydrophobicContact CD2-CG 3.86Å; Y282-F542 HydrophobicContact CD2-CZ 4.21Å; Y282-F542 HydrophobicContact CG-CE2 4.47Å; Y282-F542 HydrophobicContact CG-CZ 4.45Å
283	V	96.4	Very high	94.5	Very high	53 Å²	53	51.4 Å²	51.4	32%	0.321	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-44.5	176.2	175.5	0	0	0	0	110.7	M93 L279 F280 L285 M286 L287	M93-V283 HydrophobicContact SD-CB 4.23Å; M93-V283 HydrophobicContact SD-CG1 3.84Å; L279-V283 HydrophobicContact CD1-CG2 4.3Å; L279-V283 WeakPolarHBondContact O-CG2 3.41Å; L279-V283 PolarHBondContact O-N 3.46Å; F280-V283 PolarHBondContact O-N 2.78Å; V283-L285 PolarHBondContact O-N 3.31Å; V283-M286 PolarHBondContact O-N 3.48Å; V283-L287 HydrophobicContact CG1-CD1 3.75Å; V283-L287 HydrophobicContact CG1-CG 4.2Å; V283-L287 WeakPolarHBondContact O-CB 3.41Å; V283-L287 VanDerWaalsContact O-CG 3.3Å; V283-L287 WeakPolarHBondContact O-CG 3.29Å; V283-L287 PolarHBondContact O-N 3.41Å
284	H	95.7	Very high	93.9	Very high	9 Å²	9	53.6 Å²	53.6	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-55.6	-52.2	177.2	173.5	77.8	0	0	0	112.4	Y76 P89 M93 F280 F281 M286 L287 L288	Y76-H284 AromaticContact CE1-ND1 3.71Å; Y76-H284 AromaticContact CZ-ND1 3.55Å; Y76-H284 PolarHBondContact OH-CE1 3.06Å; Y76-H284 PolarHBondContact OH-ND1 3.43Å; P89-H284 HydrophobicContact CB-CB 3.84Å; P89-H284 VanDerWaalsContact CB-ND1 3.34Å; P89-H284 WeakPolarHBondContact CB-ND1 3.4Å; P89-H284 HydrophobicContact CG-CB 3.69Å; M93-H284 HydrophobicContact SD-CB 4.15Å; F280-H284 VanDerWaalsContact O-CB 3.32Å; F280-H284 WeakPolarHBondContact O-CB 3.34Å; F280-H284 PolarHBondContact O-N 2.91Å; F281-H284 PolarHBondContact O-N 3.24Å; H284-M286 VanDerWaalsContact C-N 3.31Å; H284-M286 PolarHBondContact O-N 3.45Å; H284-L287 PolarHBondContact O-N 3.13Å; H284-L288 WeakPolarHBondContact CE1-CD1 3.33Å; H284-L288 WeakPolarHBondContact O-CB 3.32Å; H284-L288 WeakPolarHBondContact O-CG 3.49Å; H284-L288 PolarHBondContact O-N 3.35Å
285	L	93.6	Very high	93.4	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-71.4	-23.4	179.5	-71.4	178.8	0	0	0	113.5	F81 F281 V283 F302 F542 R545 L549	F81-L285 HydrophobicContact CE2-CD2 4.2Å; F281-L285 WeakPolarHBondContact O-CB 3.18Å; F281-L285 WeakPolarHBondContact O-CG 3.33Å; F281-L285 PolarHBondContact O-N 2.91Å; V283-L285 PolarHBondContact O-N 3.31Å; L285-F302 HydrophobicContact CD2-CE2 4.44Å; L285-F302 HydrophobicContact CD2-CZ 3.86Å; L285-F542 HydrophobicContact CD1-CD2 4.05Å; L285-F542 HydrophobicContact CD1-CE2 3.96Å; L285-R545 HydrophobicContact CD1-CB 3.79Å; L285-L549 HydrophobicContact CD2-CD2 4.06Å; L285-L549 HydrophobicContact CG-CD2 4.38Å
286	M	93.5	Very high	92.6	Very high	118 Å²	118	48.7 Å²	48.7	58%	0.581	24%	0.238	S	C	*	.	H	α-helix	trans	-75	-37.9	173.4	-171.7	-125.7	-109.3	0	0	111.6	Y282 V283 H284	Y282-M286 HydrophobicContact CE1-CE 4.46Å; Y282-M286 VanDerWaalsContact O-CB 3.25Å; Y282-M286 WeakPolarHBondContact O-CB 3.47Å; Y282-M286 PolarHBondContact O-N 3.22Å; V283-M286 PolarHBondContact O-N 3.48Å; H284-M286 VanDerWaalsContact C-N 3.31Å; H284-M286 PolarHBondContact O-N 3.45Å
287	L	94.6	Very high	91.9	Very high	67 Å²	67	49.2 Å²	49.2	35%	0.351	24%	0.241	S	C	.	.	H	α-helix	trans	-73.4	-38.8	178.3	-70.4	173.5	0	0	0	112.3	Y76 R79 M93 V283 H284 Y289	Y76-L287 HydrophobicContact CD1-CD1 4.46Å; R79-L287 WeakPolarHBondContact CB-O 3.44Å; M93-L287 HydrophobicContact SD-CD1 4.46Å; V283-L287 HydrophobicContact CG1-CD1 3.75Å; V283-L287 HydrophobicContact CG1-CG 4.2Å; V283-L287 WeakPolarHBondContact O-CB 3.41Å; V283-L287 VanDerWaalsContact O-CG 3.3Å; V283-L287 WeakPolarHBondContact O-CG 3.29Å; V283-L287 PolarHBondContact O-N 3.41Å; H284-L287 PolarHBondContact O-N 3.13Å; L287-Y289 PolarHBondContact O-N 3.41Å
288	L	93.7	Very high	91.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.			trans	-96.5	66.3	-175.1	-58.3	-171.5	0	0	0	112.4	Y76 V80 F82 H284	Y76-L288 HydrophobicContact CD1-CD2 3.65Å; Y76-L288 HydrophobicContact CD1-CG 4.2Å; Y76-L288 HydrophobicContact CE1-CD1 4.19Å; Y76-L288 HydrophobicContact CE1-CD2 4.03Å; Y76-L288 HydrophobicContact CE1-CG 4.08Å; Y76-L288 HydrophobicContact CG-CD2 4.23Å; V80-L288 WeakPolarHBondContact O-CD2 3.41Å; F82-L288 HydrophobicContact CD1-CD1 3.57Å; F82-L288 HydrophobicContact CE1-CD1 3.48Å; F82-L288 VanDerWaalsContact CE1-CD1 3.48Å; F82-L288 HydrophobicContact CE1-CD2 4.47Å; F82-L288 HydrophobicContact CZ-CD1 4.41Å; H284-L288 WeakPolarHBondContact CE1-CD1 3.33Å; H284-L288 WeakPolarHBondContact O-CB 3.32Å; H284-L288 WeakPolarHBondContact O-CG 3.49Å; H284-L288 PolarHBondContact O-N 3.35Å
289	Y	90.2	Very high	90.7	Very high	72 Å²	72	47.4 Å²	47.4	28%	0.282	24%	0.237	S	C	.	.			trans	-88.5	-13.1	-177.7	60	-98.1	0	0	0	114.5	R79 L287 L306 E307	R79-Y289 HydrophobicContact CB-CE1 4.11Å; R79-Y289 VanDerWaalsContact CD-OH 3.29Å; R79-Y289 WeakPolarHBondContact CD-OH 3.41Å; R79-Y289 HydrophobicContact CG-CE1 4.34Å; R79-Y289 PolarHBondContact NH1-OH 3.14Å; L287-Y289 PolarHBondContact O-N 3.41Å; Y289-L306 CarbonylContact O-C 3.08Å; Y289-L306 VanDerWaalsContact O-CA 3.25Å; Y289-L306 WeakPolarHBondContact O-CA 3.39Å; Y289-E307 HydrophobicContact CD2-CB 4.08Å; Y289-E307 WeakPolarHBondContact CD2-OE2 3.46Å; Y289-E307 WeakPolarHBondContact CE2-OE2 3.47Å; Y289-E307 PolarHBondContact O-N 2.97Å
290	R	92.4	Very high	90	Very high	106 Å²	106	44.3 Å²	44.3	40%	0.4	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-90.6	150.2	-179.2	-58.4	178.9	168.1	168.9	-5.2	112.1	R79 V80 F81 E307	R79-R290 WeakPolarHBondContact O-CB 3.47Å; R79-R290 WeakPolarHBondContact O-CG 3.27Å; R79-R290 PolarHBondContact O-N 2.91Å; V80-R290 HydrophobicContact CG2-CB 4.48Å; F81-R290 VanDerWaalsContact CB-O 3.25Å; F81-R290 WeakPolarHBondContact CB-O 3.36Å; F81-R290 PolarHBondContact N-O 3.36Å; R290-E307 CarbonylContact C-O 3.22Å; R290-E307 VanDerWaalsContact CA-O 3.3Å; R290-E307 WeakPolarHBondContact CA-O 3.41Å; R290-E307 HydrophobicContact CG-CB 4.42Å
291	S	90.4	Very high	89.4	Confident	33 Å²	33	44.3 Å²	44.3	23%	0.231	22%	0.224	C	C	.	.			trans	-57.9	145.5	170.9	162	0	0	0	0	111.4	D295 E307 G309	S291-D295 WeakPolarHBondContact CB-OD2 3.26Å; S291-D295 PolarHBondContact OG-OD2 3.48Å; S291-E307 PolarHBondContact N-O 3.48Å; S291-G309 WeakPolarHBondContact OG-CA 3.33Å
292	G	88.9	Confident	88.9	Confident	11 Å²	11	44.3 Å²	44.3	11%	0.113	22%	0.224	C	C	.	.			trans	-154.4	-179.9	-173.4	0	0	0	0	0	113.1	F81 H294 D295	F81-G292 WeakPolarHBondContact O-CA 3.38Å; G292-H294 PolarHBondContact O-N 2.82Å; G292-H294 VanDerWaalsContact O-N 3.1Å; G292-D295 WeakPolarHBondContact O-CB 3.49Å; G292-D295 PolarHBondContact O-N 3.38Å; G292-D295 VanDerWaalsContact O-N 3.15Å
293	P	86.4	Confident	88.5	Confident	60 Å²	60	39.6 Å²	39.6	39%	0.39	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.5	-164.7	25.5	-34.9	0	0	0	114.6	F75	F75-P293 HydrophobicContact CE1-CG 4.04Å; F75-P293 HydrophobicContact CE2-CG 4.2Å; F75-P293 HydrophobicContact CZ-CG 3.58Å
294	H	85.4	Confident	87.8	Confident	53 Å²	53	38 Å²	38	25%	0.245	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	6.1	-176.7	-54.4	155.4	0	0	0	112.9	L83 G292 Q296 I297	L83-H294 HydrophobicContact CB-CB 3.74Å; L83-H294 PolarHBondContact N-ND1 3.42Å; L83-H294 PolarHBondContact O-ND1 3.46Å; G292-H294 PolarHBondContact O-N 2.82Å; G292-H294 VanDerWaalsContact O-N 3.1Å; H294-Q296 VanDerWaalsContact C-N 3.26Å; H294-Q296 PolarHBondContact O-N 3.25Å; H294-I297 HydrophobicContact CB-CD1 4.3Å; H294-I297 PolarHBondContact O-N 2.99Å
295	D	85	Confident	87.3	Confident	20 Å²	20	39.2 Å²	39.2	11%	0.107	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-65.6	-30.9	179.2	69.4	-5.2	0	0	0	112.2	F81 S291 G292 I297 M298 Q303 L306	F81-D295 HydrophobicContact CD1-CB 4.08Å; S291-D295 WeakPolarHBondContact CB-OD2 3.26Å; S291-D295 PolarHBondContact OG-OD2 3.48Å; G292-D295 WeakPolarHBondContact O-CB 3.49Å; G292-D295 PolarHBondContact O-N 3.38Å; G292-D295 VanDerWaalsContact O-N 3.15Å; D295-I297 PolarHBondContact O-N 2.84Å; D295-I297 VanDerWaalsContact O-N 3.09Å; D295-M298 WeakPolarHBondContact O-CA 3.23Å; D295-M298 VanDerWaalsContact O-CB 3.29Å; D295-M298 WeakPolarHBondContact O-CB 3.4Å; D295-M298 PolarHBondContact O-N 2.96Å; D295-Q303 HydrophobicContact CB-CG 4.25Å; D295-Q303 VanDerWaalsContact O-CD 3.26Å; D295-Q303 WeakPolarHBondContact O-CG 3.47Å; D295-Q303 PolarHBondContact O-NE2 3.31Å; D295-L306 HydrophobicContact CB-CD1 3.98Å
296	Q	80.9	Confident	87	Confident	102 Å²	102	39.3 Å²	39.3	48%	0.477	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-56.7	-27.1	179.3	65.1	-179.2	-2.8	0	0	114	H294 M298 Q303	H294-Q296 VanDerWaalsContact C-N 3.26Å; H294-Q296 PolarHBondContact O-N 3.25Å; Q296-M298 VanDerWaalsContact C-N 3.31Å; Q296-Q303 VanDerWaalsContact CA-NE2 3.34Å; Q296-Q303 PolarHBondContact O-NE2 3.22Å
297	I	82.2	Confident	86.7	Confident	41 Å²	41	38.8 Å²	38.8	21%	0.21	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-78.5	-20.8	179.5	-51.2	165.1	0	0	0	111.2	L83 H294 D295 K552 L556	L83-I297 HydrophobicContact CD2-CD1 4.32Å; H294-I297 HydrophobicContact CB-CD1 4.3Å; H294-I297 PolarHBondContact O-N 2.99Å; D295-I297 PolarHBondContact O-N 2.84Å; D295-I297 VanDerWaalsContact O-N 3.09Å; I297-K552 PolarHBondContact O-NZ 3.26Å; I297-L556 HydrophobicContact CD1-CD2 4.18Å; I297-L556 HydrophobicContact CG2-CD1 3.83Å; I297-L556 HydrophobicContact CG2-CD2 4.23Å; I297-L556 HydrophobicContact CG2-CG 4.4Å
298	M	85.1	Confident	86.2	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.025	20%	0.201	C	C	.	.	S	Bend	trans	-79.9	164.6	176.5	-56.6	-62	121.1	0	0	111.4	F81 L83 D295 Q296 F302 Q303 K552	F81-M298 HydrophobicContact CE1-CG 3.77Å; F81-M298 HydrophobicContact CZ-CG 4.02Å; F81-M298 HydrophobicContact CZ-SD 4.31Å; L83-M298 HydrophobicContact CB-CE 4.32Å; L83-M298 HydrophobicContact CD1-CE 3.8Å; L83-M298 HydrophobicContact CD2-CE 3.38Å; L83-M298 HydrophobicContact CG-CE 4.05Å; D295-M298 WeakPolarHBondContact O-CA 3.23Å; D295-M298 VanDerWaalsContact O-CB 3.29Å; D295-M298 WeakPolarHBondContact O-CB 3.4Å; D295-M298 PolarHBondContact O-N 2.96Å; Q296-M298 VanDerWaalsContact C-N 3.31Å; M298-F302 HydrophobicContact CB-CB 3.9Å; M298-F302 HydrophobicContact CB-CD1 3.83Å; M298-F302 HydrophobicContact CB-CG 3.95Å; M298-F302 HydrophobicContact CG-CD1 3.81Å; M298-F302 HydrophobicContact CG-CE1 4.12Å; M298-F302 HydrophobicContact CG-CG 4.2Å; M298-Q303 HydrophobicContact CB-CG 4.37Å; M298-Q303 PolarHBondContact O-NE2 3.49Å; M298-K552 HydrophobicContact CE-CB 3.73Å; M298-K552 HydrophobicContact CE-CG 3.77Å; M298-K552 HydrophobicContact SD-CB 4.41Å; M298-K552 HydrophobicContact SD-CG 4.03Å
299	S	83.6	Confident	85.6	Confident	40 Å²	40	38.7 Å²	38.7	28%	0.28	22%	0.22	S	C	.	.			trans	-60.2	151.8	172.6	71.6	0	0	0	0	110.5	A301 F302 Q303 E548	S299-A301 PolarHBondContact O-N 3.32Å; S299-A301 VanDerWaalsContact O-N 3.16Å; S299-F302 PolarHBondContact O-N 2.88Å; S299-F302 VanDerWaalsContact O-N 3.11Å; S299-F302 WeakPolarHBondContact OG-CB 3.13Å; S299-F302 PolarHBondContact OG-N 2.9Å; S299-F302 VanDerWaalsContact OG-N 3.09Å; S299-Q303 WeakPolarHBondContact O-CG 3.49Å; S299-Q303 PolarHBondContact O-N 3.23Å; S299-E548 WeakPolarHBondContact CA-OE1 3.37Å; S299-E548 WeakPolarHBondContact CB-OE1 3.47Å; S299-E548 PolarHBondContact N-OE1 2.71Å; S299-E548 VanDerWaalsContact OG-CD 3.29Å; S299-E548 PolarHBondContact OG-OE1 2.67Å; S299-E548 VanDerWaalsContact OG-OE1 3.1Å; S299-E548 PolarHBondContact OG-OE2 3.11Å
300	S	83.7	Confident	85	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-27.4	175.2	-56.8	0	0	0	0	111.8	A304 L310 K330 N509 E511	S300-A304 WeakPolarHBondContact O-CB 3.15Å; S300-A304 PolarHBondContact O-N 3.37Å; S300-L310 WeakPolarHBondContact O-CD2 3.31Å; S300-K330 WeakPolarHBondContact OG-CD 3.33Å; S300-K330 PolarHBondContact OG-NZ 3.08Å; S300-N509 WeakPolarHBondContact CB-ND2 3.23Å; S300-N509 PolarHBondContact OG-ND2 3.02Å; S300-E511 PolarHBondContact OG-OE1 2.84Å
301	A	83	Confident	84.2	Confident	19 Å²	19	30.8 Å²	30.8	16%	0.157	19%	0.191	C	C	.	.	H	α-helix	trans	-68.5	-44.4	176.2	0	0	0	0	0	111.7	S299 A304 S305 I461 L540	S299-A301 PolarHBondContact O-N 3.32Å; S299-A301 VanDerWaalsContact O-N 3.16Å; A301-A304 PolarHBondContact O-N 3.32Å; A301-S305 PolarHBondContact O-N 3Å; A301-I461 HydrophobicContact CB-CG2 3.59Å; A301-L540 HydrophobicContact CB-CD1 3.48Å; A301-L540 VanDerWaalsContact CB-CD1 3.48Å; A301-L540 WeakPolarHBondContact O-CD1 3.34Å
302	F	86.9	Confident	83.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-47.6	173.2	-168.3	-73	0	0	0	111.5	F81 L285 M298 S299 A304 S305 L306 R545	F81-F302 HydrophobicContact CD1-CE1 4.36Å; F81-F302 HydrophobicContact CD2-CE1 4.02Å; F81-F302 HydrophobicContact CD2-CZ 4.27Å; F81-F302 AromaticContact CE1-CE1 3.96Å; F81-F302 HydrophobicContact CE1-CE1 3.96Å; F81-F302 AromaticContact CE2-CE1 3.59Å; F81-F302 HydrophobicContact CE2-CE1 3.59Å; F81-F302 AromaticContact CE2-CZ 3.57Å; F81-F302 HydrophobicContact CE2-CZ 3.57Å; F81-F302 HydrophobicContact CG-CE1 4.38Å; F81-F302 AromaticContact CZ-CE1 3.55Å; F81-F302 HydrophobicContact CZ-CE1 3.55Å; F81-F302 AromaticContact CZ-CZ 3.75Å; F81-F302 HydrophobicContact CZ-CZ 3.75Å; L285-F302 HydrophobicContact CD2-CE2 4.44Å; L285-F302 HydrophobicContact CD2-CZ 3.86Å; M298-F302 HydrophobicContact CB-CB 3.9Å; M298-F302 HydrophobicContact CB-CD1 3.83Å; M298-F302 HydrophobicContact CB-CG 3.95Å; M298-F302 HydrophobicContact CG-CD1 3.81Å; M298-F302 HydrophobicContact CG-CE1 4.12Å; M298-F302 HydrophobicContact CG-CG 4.2Å; S299-F302 PolarHBondContact O-N 2.88Å; S299-F302 VanDerWaalsContact O-N 3.11Å; S299-F302 WeakPolarHBondContact OG-CB 3.13Å; S299-F302 PolarHBondContact OG-N 2.9Å; S299-F302 VanDerWaalsContact OG-N 3.09Å; F302-A304 VanDerWaalsContact C-N 3.3Å; F302-A304 PolarHBondContact O-N 3.06Å; F302-S305 WeakPolarHBondContact O-CB 3.25Å; F302-S305 PolarHBondContact O-N 3.4Å; F302-S305 PolarHBondContact O-OG 3.46Å; F302-L306 HydrophobicContact CD1-CD1 4.38Å; F302-L306 HydrophobicContact CE1-CD1 4.25Å; F302-L306 HydrophobicContact CE1-CD2 4.33Å; F302-L306 HydrophobicContact CE1-CG 4.42Å; F302-R545 HydrophobicContact CD2-CB 4.06Å; F302-R545 HydrophobicContact CD2-CG 3.83Å; F302-R545 HydrophobicContact CE2-CB 3.65Å; F302-R545 HydrophobicContact CE2-CG 3.81Å
303	Q	87	Confident	82.7	Confident	13 Å²	13	40.8 Å²	40.8	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-58.2	-41.8	178.3	-69.1	178.2	27.8	0	0	112.1	D295 Q296 M298 S299 S305 L306 L310	D295-Q303 HydrophobicContact CB-CG 4.25Å; D295-Q303 VanDerWaalsContact O-CD 3.26Å; D295-Q303 WeakPolarHBondContact O-CG 3.47Å; D295-Q303 PolarHBondContact O-NE2 3.31Å; Q296-Q303 VanDerWaalsContact CA-NE2 3.34Å; Q296-Q303 PolarHBondContact O-NE2 3.22Å; M298-Q303 HydrophobicContact CB-CG 4.37Å; M298-Q303 PolarHBondContact O-NE2 3.49Å; S299-Q303 WeakPolarHBondContact O-CG 3.49Å; S299-Q303 PolarHBondContact O-N 3.23Å; Q303-S305 PolarHBondContact O-N 2.78Å; Q303-L306 PolarHBondContact O-N 3.29Å; Q303-L310 HydrophobicContact CB-CB 4.04Å; Q303-L310 HydrophobicContact CB-CD2 3.68Å; Q303-L310 HydrophobicContact CB-CG 4.49Å
304	A	82.6	Confident	82	Confident	21 Å²	21	38.4 Å²	38.4	17%	0.174	21%	0.209	C	C	.	.	H	α-helix	trans	-69.9	-14.7	177	0	0	0	0	0	113.6	S300 A301 F302 L310 A311 I461	S300-A304 WeakPolarHBondContact O-CB 3.15Å; S300-A304 PolarHBondContact O-N 3.37Å; A301-A304 PolarHBondContact O-N 3.32Å; F302-A304 VanDerWaalsContact C-N 3.3Å; F302-A304 PolarHBondContact O-N 3.06Å; A304-L310 HydrophobicContact CB-CD2 4.43Å; A304-A311 WeakPolarHBondContact O-CB 3.31Å; A304-I461 HydrophobicContact CB-CD1 3.88Å
305	S	84.5	Confident	81.1	Confident	34 Å²	34	39.3 Å²	39.3	24%	0.238	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.5	174.1	80	0	0	0	0	113.6	A301 F302 Q303	A301-S305 PolarHBondContact O-N 3Å; F302-S305 WeakPolarHBondContact O-CB 3.25Å; F302-S305 PolarHBondContact O-N 3.4Å; F302-S305 PolarHBondContact O-OG 3.46Å; Q303-S305 PolarHBondContact O-N 2.78Å
306	L	87.3	Confident	80.2	Confident	9 Å²	9	39.3 Å²	39.3	5%	0.047	22%	0.218	C	C	.	.	S	Bend	trans	-86.5	153.4	176.6	-59.4	174.3	0	0	0	110.8	F81 Y289 D295 F302 Q303 A311	F81-L306 HydrophobicContact CB-CD1 3.75Å; F81-L306 HydrophobicContact CB-CD2 4.12Å; F81-L306 HydrophobicContact CD1-CD1 4Å; F81-L306 HydrophobicContact CG-CD1 3.88Å; F81-L306 HydrophobicContact CG-CD2 4.38Å; Y289-L306 CarbonylContact O-C 3.08Å; Y289-L306 VanDerWaalsContact O-CA 3.25Å; Y289-L306 WeakPolarHBondContact O-CA 3.39Å; D295-L306 HydrophobicContact CB-CD1 3.98Å; F302-L306 HydrophobicContact CD1-CD1 4.38Å; F302-L306 HydrophobicContact CE1-CD1 4.25Å; F302-L306 HydrophobicContact CE1-CD2 4.33Å; F302-L306 HydrophobicContact CE1-CG 4.42Å; Q303-L306 PolarHBondContact O-N 3.29Å; L306-A311 WeakPolarHBondContact O-CB 3.38Å
307	E	86.8	Confident	80.1	Confident	107 Å²	107	35.4 Å²	35.4	50%	0.5	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-79.4	132.1	172.7	-169	-172.6	174	0	0	110.8	Y289 R290 S291	Y289-E307 HydrophobicContact CD2-CB 4.08Å; Y289-E307 WeakPolarHBondContact CD2-OE2 3.46Å; Y289-E307 WeakPolarHBondContact CE2-OE2 3.47Å; Y289-E307 PolarHBondContact O-N 2.97Å; R290-E307 CarbonylContact C-O 3.22Å; R290-E307 VanDerWaalsContact CA-O 3.3Å; R290-E307 WeakPolarHBondContact CA-O 3.41Å; R290-E307 HydrophobicContact CG-CB 4.42Å; S291-E307 PolarHBondContact N-O 3.48Å
308	G	83.5	Confident	79.9	Confident	27 Å²	27	34.8 Å²	34.8	28%	0.278	20%	0.199	S	C	.	.	S	Bend	trans	84.8	-167.2	-175.3	0	0	0	0	0	112.6	L310 A311	G308-L310 PolarHBondContact O-N 3.24Å; G308-A311 WeakPolarHBondContact O-CB 3.15Å; G308-A311 PolarHBondContact O-N 3.31Å
309	G	81	Confident	79.7	Confident	38 Å²	38	38.3 Å²	38.3	39%	0.392	22%	0.217	S	C	.	.	H	α-helix	trans	50.4	-125.5	-179.3	0	0	0	0	0	113.1	S291 A311 R312	S291-G309 WeakPolarHBondContact OG-CA 3.33Å; G309-A311 VanDerWaalsContact C-N 3.33Å; G309-A311 PolarHBondContact O-N 3.49Å; G309-R312 PolarHBondContact O-N 3.36Å
310	L	79.1	Confident	79.8	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-36	-179.8	-175.5	65.7	0	0	0	113.2	S300 Q303 A304 G308 R312 I313 T314 E511	S300-L310 WeakPolarHBondContact O-CD2 3.31Å; Q303-L310 HydrophobicContact CB-CB 4.04Å; Q303-L310 HydrophobicContact CB-CD2 3.68Å; Q303-L310 HydrophobicContact CB-CG 4.49Å; A304-L310 HydrophobicContact CB-CD2 4.43Å; G308-L310 PolarHBondContact O-N 3.24Å; L310-R312 VanDerWaalsContact C-N 3.27Å; L310-R312 PolarHBondContact O-N 2.84Å; L310-I313 PolarHBondContact O-N 3.41Å; L310-I313 VanDerWaalsContact O-N 3.09Å; L310-T314 HydrophobicContact CD1-CG2 3.65Å; L310-T314 HydrophobicContact CG-CG2 3.85Å; L310-T314 WeakPolarHBondContact O-CB 3.27Å; L310-T314 WeakPolarHBondContact O-CG2 3.34Å; L310-T314 PolarHBondContact O-N 3.18Å; L310-T314 PolarHBondContact O-OG1 2.83Å; L310-E511 HydrophobicContact CD1-CG 3.61Å; L310-E511 HydrophobicContact CD2-CG 3.9Å; L310-E511 HydrophobicContact CG-CG 4.38Å
311	A	75.3	Confident	80.1	Confident	7 Å²	7	39.8 Å²	39.8	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-36.2	-179	0	0	0	0	0	111.9	A304 L306 G308 G309 I313 T314 Q315	A304-A311 WeakPolarHBondContact O-CB 3.31Å; L306-A311 WeakPolarHBondContact O-CB 3.38Å; G308-A311 WeakPolarHBondContact O-CB 3.15Å; G308-A311 PolarHBondContact O-N 3.31Å; G309-A311 VanDerWaalsContact C-N 3.33Å; G309-A311 PolarHBondContact O-N 3.49Å; A311-I313 VanDerWaalsContact C-N 3.26Å; A311-I313 PolarHBondContact O-N 2.94Å; A311-T314 PolarHBondContact O-N 3.35Å; A311-Q315 WeakPolarHBondContact O-CA 3.26Å; A311-Q315 WeakPolarHBondContact O-CB 3.47Å; A311-Q315 WeakPolarHBondContact O-CG 3.39Å; A311-Q315 PolarHBondContact O-N 2.94Å
312	R	73.9	Confident	80.6	Confident	191 Å²	191	39 Å²	39	72%	0.721	21%	0.212	S	C	*	.	H	α-helix	trans	-63.7	-33	175.8	-174.6	-180	173.6	-170.2	-1.6	112.6	G309 L310	G309-R312 PolarHBondContact O-N 3.36Å; L310-R312 VanDerWaalsContact C-N 3.27Å; L310-R312 PolarHBondContact O-N 2.84Å
313	I	73.5	Confident	80.8	Confident	62 Å²	62	39.4 Å²	39.4	32%	0.318	21%	0.214	S	C	.	.	H	α-helix	trans	-80.8	-41.2	-178.6	-58.4	168	0	0	0	110.5	L310 A311 K370 E512 T532	L310-I313 PolarHBondContact O-N 3.41Å; L310-I313 VanDerWaalsContact O-N 3.09Å; A311-I313 VanDerWaalsContact C-N 3.26Å; A311-I313 PolarHBondContact O-N 2.94Å; I313-K370 HydrophobicContact CD1-CD 4.38Å; I313-E512 VanDerWaalsContact CG2-CD 3.47Å; I313-E512 HydrophobicContact CG2-CG 4Å; I313-E512 WeakPolarHBondContact CG2-OE2 3.21Å; I313-T532 PolarHBondContact O-OG1 2.98Å
314	T	72.3	Confident	81	Confident	10 Å²	10	38.9 Å²	38.9	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-88.8	-5.9	-175.5	56.3	0	0	0	0	113.5	L310 A311 G316 Q317 I461 E511 E512	L310-T314 HydrophobicContact CD1-CG2 3.65Å; L310-T314 HydrophobicContact CG-CG2 3.85Å; L310-T314 WeakPolarHBondContact O-CB 3.27Å; L310-T314 WeakPolarHBondContact O-CG2 3.34Å; L310-T314 PolarHBondContact O-N 3.18Å; L310-T314 PolarHBondContact O-OG1 2.83Å; A311-T314 PolarHBondContact O-N 3.35Å; T314-G316 PolarHBondContact O-N 3.45Å; T314-G316 VanDerWaalsContact O-N 3.14Å; T314-Q317 VanDerWaalsContact O-CG 3.24Å; T314-Q317 WeakPolarHBondContact O-CG 3.25Å; T314-Q317 PolarHBondContact O-N 3.42Å; T314-I461 HydrophobicContact CG2-CD1 4.21Å; T314-E511 VanDerWaalsContact CG2-O 3.3Å; T314-E511 WeakPolarHBondContact CG2-O 3.31Å; T314-E512 HydrophobicContact CG2-CG 4.3Å
315	Q	65.6	Low	81.4	Confident	73 Å²	73	37.9 Å²	37.9	34%	0.341	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	120	176.4	-103.1	166.6	-6.7	0	0	110.2	A311 Q317 H534	A311-Q315 WeakPolarHBondContact O-CA 3.26Å; A311-Q315 WeakPolarHBondContact O-CB 3.47Å; A311-Q315 WeakPolarHBondContact O-CG 3.39Å; A311-Q315 PolarHBondContact O-N 2.94Å; Q315-Q317 PolarHBondContact O-N 2.62Å; Q315-H534 CarbonylContact C-O 3.52Å
316	G	66.4	Low	81.8	Confident	20 Å²	20	36.5 Å²	36.5	21%	0.206	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	19.3	175.7	0	0	0	0	0	115.8	T314 H534	T314-G316 PolarHBondContact O-N 3.45Å; T314-G316 VanDerWaalsContact O-N 3.14Å; G316-H534 WeakPolarHBondContact CA-O 3.44Å; G316-H534 PolarHBondContact N-O 3.25Å
317	Q	78.8	Confident	82.1	Confident	20 Å²	20	36 Å²	36	9%	0.093	19%	0.192	C	C	.	.			trans	-61	149.9	164.5	71.6	-174.6	-9.8	0	0	110.7	T314 Q315 L319 E511 E512 H513	T314-Q317 VanDerWaalsContact O-CG 3.24Å; T314-Q317 WeakPolarHBondContact O-CG 3.25Å; T314-Q317 PolarHBondContact O-N 3.42Å; Q315-Q317 PolarHBondContact O-N 2.62Å; Q317-L319 PolarHBondContact O-N 2.84Å; Q317-E511 PolarHBondContact NE2-O 3.18Å; Q317-E511 VanDerWaalsContact NE2-O 3.1Å; Q317-E511 PolarHBondContact OE1-O 3.45Å; Q317-E512 VanDerWaalsContact OE1-CA 3.3Å; Q317-H513 HydrophobicContact CB-CB 4.35Å; Q317-H513 VanDerWaalsContact CB-O 3.32Å; Q317-H513 WeakPolarHBondContact CB-O 3.34Å
318	P	78.5	Confident	82.4	Confident	28 Å²	28	31.1 Å²	31.1	18%	0.182	17%	0.169	C	C	.	.			trans	-63	141.2	178.9	-6.7	17.5	0	0	0	111	T460 H513 Y515	P318-T460 WeakPolarHBondContact O-CG2 3.38Å; P318-T460 PolarHBondContact O-OG1 3.43Å; P318-H513 WeakPolarHBondContact CD-O 3.13Å; P318-H513 PolarHBondContact O-ND1 3.03Å; P318-Y515 HydrophobicContact CB-CD1 4.42Å; P318-Y515 HydrophobicContact CB-CD2 4.08Å; P318-Y515 HydrophobicContact CB-CE1 3.83Å; P318-Y515 HydrophobicContact CB-CE2 3.42Å; P318-Y515 VanDerWaalsContact CB-CE2 3.42Å; P318-Y515 WeakPolarHBondContact CB-OH 2.86Å; P318-Y515 HydrophobicContact CG-CD1 4.04Å; P318-Y515 HydrophobicContact CG-CD2 3.63Å; P318-Y515 HydrophobicContact CG-CE1 3.96Å; P318-Y515 HydrophobicContact CG-CE2 3.54Å; P318-Y515 HydrophobicContact CG-CG 3.89Å
319	L	80.4	Confident	83	Confident	79 Å²	79	29.8 Å²	29.8	41%	0.414	16%	0.155	S	C	.	.	S	Bend	trans	-71.2	-46.9	-175.6	-165.6	92	0	0	0	111.9	Q317 K459 T460 R538	Q317-L319 PolarHBondContact O-N 2.84Å; L319-K459 HydrophobicContact CD2-CD 4.49Å; L319-K459 CarbonylContact O-C 3.59Å; L319-K459 VanDerWaalsContact O-CA 3.29Å; L319-K459 WeakPolarHBondContact O-CA 3.38Å; L319-T460 PolarHBondContact O-N 3.25Å; L319-T460 PolarHBondContact O-OG1 2.86Å; L319-R538 VanDerWaalsContact CD1-NE 3.3Å
320	E	86.3	Confident	83.5	Confident	72 Å²	72	28.5 Å²	28.5	34%	0.336	14%	0.139	S	C	.	.	B	Isolated β-bridge	trans	-96.3	124	-174.8	-58.7	-164.9	139.5	0	0	110.4	A322 P394 T457 H513 Y515	E320-A322 PolarHBondContact O-N 3.2Å; E320-P394 HydrophobicContact CB-CB 4.26Å; E320-T457 PolarHBondContact OE1-OG1 3.47Å; E320-H513 PolarHBondContact O-CE1 3.49Å; E320-H513 VanDerWaalsContact O-CE1 3.24Å; E320-Y515 PolarHBondContact O-OH 3.26Å
321	V	90.5	Very high	84	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.			trans	-72.2	122.8	173	-177	0	0	0	0	107.9	V327 V378 P394 V395 W458 T460 V510	V321-V327 HydrophobicContact CG1-CG1 4.07Å; V321-V327 HydrophobicContact CG2-CG1 4.39Å; V321-V378 HydrophobicContact CG1-CG2 4.04Å; V321-P394 WeakPolarHBondContact O-CA 3.29Å; V321-V395 PolarHBondContact O-N 3.13Å; V321-W458 HydrophobicContact CB-CB 4.26Å; V321-W458 HydrophobicContact CB-CD2 3.96Å; V321-W458 HydrophobicContact CB-CE3 3.99Å; V321-W458 HydrophobicContact CB-CG 4.09Å; V321-W458 HydrophobicContact CG1-CD2 4.06Å; V321-W458 HydrophobicContact CG1-CE3 3.65Å; V321-W458 HydrophobicContact CG1-CH2 4.5Å; V321-W458 HydrophobicContact CG1-CZ3 3.9Å; V321-W458 HydrophobicContact CG2-CD2 4.14Å; V321-W458 HydrophobicContact CG2-CG 4.19Å; V321-W458 PolarHBondContact N-O 3.36Å; V321-T460 HydrophobicContact CG2-CG2 3.91Å; V321-V510 HydrophobicContact CG2-CG1 4.4Å; V321-V510 HydrophobicContact CG2-CG2 4.24Å
322	A	91.6	Very high	84.4	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.008	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-112.1	163.8	-178.9	0	0	0	0	0	110.9	E320 G324 S325 V388 P392 R393 Y515	E320-A322 PolarHBondContact O-N 3.2Å; A322-G324 PolarHBondContact O-N 3.12Å; A322-S325 PolarHBondContact N-OG 3.48Å; A322-S325 WeakPolarHBondContact O-CB 3.32Å; A322-S325 PolarHBondContact O-N 3.2Å; A322-S325 PolarHBondContact O-OG 3.36Å; A322-S325 VanDerWaalsContact O-OG 3.05Å; A322-V388 HydrophobicContact CB-CG1 4.3Å; A322-P392 HydrophobicContact CB-CB 3.88Å; A322-R393 CarbonylContact C-O 3.51Å; A322-R393 WeakPolarHBondContact CA-O 3.48Å; A322-R393 VanDerWaalsContact CB-O 3.24Å; A322-R393 WeakPolarHBondContact CB-O 3.22Å; A322-Y515 HydrophobicContact CB-CE1 3.99Å
323	F	92.3	Very high	84.3	Confident	10 Å²	10	22.1 Å²	22.1	4%	0.044	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	131.6	167.3	-66.5	-79.2	0	0	0	109.9	V378 D380 R393 V395 D399 V401	F323-V378 CarbonylContact C-O 3.41Å; F323-V378 WeakPolarHBondContact CA-O 3.48Å; F323-D380 HydrophobicContact CB-CB 4.28Å; F323-D380 HydrophobicContact CD1-CB 3.59Å; F323-D380 HydrophobicContact CE1-CB 3.99Å; F323-D380 HydrophobicContact CG-CB 3.98Å; F323-R393 HydrophobicContact CD2-CB 4.41Å; F323-R393 HydrophobicContact CD2-CG 4.08Å; F323-R393 HydrophobicContact CE2-CG 4.49Å; F323-R393 PolarHBondContact N-O 3.1Å; F323-V395 HydrophobicContact CD1-CG2 4.15Å; F323-V395 HydrophobicContact CD2-CG2 4Å; F323-V395 HydrophobicContact CE1-CG2 4.16Å; F323-V395 HydrophobicContact CE2-CG2 3.96Å; F323-V395 HydrophobicContact CG-CG2 4.11Å; F323-V395 HydrophobicContact CZ-CG1 4.35Å; F323-V395 HydrophobicContact CZ-CG2 4.05Å; F323-D399 HydrophobicContact CZ-CB 4.3Å; F323-V401 HydrophobicContact CE1-CG1 3.86Å; F323-V401 HydrophobicContact CZ-CG1 4.43Å
324	G	90.1	Very high	83.5	Confident	2 Å²	2	19.8 Å²	19.8	2%	0.021	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-7.9	-170.2	0	0	0	0	0	114.1	A322 V378 V388	A322-G324 PolarHBondContact O-N 3.12Å; G324-V378 PolarHBondContact N-O 3.45Å; G324-V388 WeakPolarHBondContact O-CG2 3.33Å
325	S	91.5	Very high	82.9	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	136.9	179.5	-77.1	0	0	0	0	111.7	A322 I377 V378 H513 Y515	A322-S325 PolarHBondContact N-OG 3.48Å; A322-S325 WeakPolarHBondContact O-CB 3.32Å; A322-S325 PolarHBondContact O-N 3.2Å; A322-S325 PolarHBondContact O-OG 3.36Å; A322-S325 VanDerWaalsContact O-OG 3.05Å; S325-I377 CarbonylContact O-C 3.52Å; S325-I377 WeakPolarHBondContact O-CA 3.39Å; S325-V378 PolarHBondContact O-N 3.43Å; S325-H513 WeakPolarHBondContact CB-NE2 3.08Å; S325-H513 PolarHBondContact OG-NE2 3.45Å; S325-Y515 WeakPolarHBondContact OG-CD1 3.19Å
326	Q	92.3	Very high	82.6	Confident	4 Å²	4	25.3 Å²	25.3	2%	0.019	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.1	168.9	-71.8	173	30.9	0	0	108.6	W375 W376 I377 H513 R514	Q326-W375 HydrophobicContact CB-CE3 3.94Å; Q326-W375 HydrophobicContact CB-CZ3 4.25Å; Q326-W375 WeakPolarHBondContact O-CZ3 3.42Å; Q326-W376 CarbonylContact C-O 3.58Å; Q326-W376 VanDerWaalsContact CA-O 3.29Å; Q326-W376 WeakPolarHBondContact CA-O 3.37Å; Q326-I377 HydrophobicContact CG-CG1 3.67Å; Q326-H513 WeakPolarHBondContact O-CA 3.26Å; Q326-H513 PolarHBondContact O-CD2 3.39Å; Q326-R514 HydrophobicContact CB-CG 3.62Å; Q326-R514 PolarHBondContact N-O 2.96Å; Q326-R514 PolarHBondContact O-N 2.82Å
327	V	93.9	Very high	82.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	152.4	-173.5	-63.9	0	0	0	0	111.9	V321 L329 W376 V378 V510 E512 H513	V321-V327 HydrophobicContact CG1-CG1 4.07Å; V321-V327 HydrophobicContact CG2-CG1 4.39Å; V327-L329 HydrophobicContact CG2-CD2 4.46Å; V327-L329 HydrophobicContact CG2-CG 4.46Å; V327-W376 PolarHBondContact N-O 3.02Å; V327-W376 PolarHBondContact O-N 3.3Å; V327-V378 HydrophobicContact CG2-CG2 3.8Å; V327-V510 HydrophobicContact CB-CG1 3.76Å; V327-V510 HydrophobicContact CB-CG2 4.1Å; V327-V510 HydrophobicContact CG1-CG1 3.69Å; V327-V510 HydrophobicContact CG1-CG2 4.21Å; V327-V510 HydrophobicContact CG2-CG2 4.35Å; V327-E512 CarbonylContact C-O 3.47Å; V327-E512 VanDerWaalsContact CA-O 3.25Å; V327-E512 WeakPolarHBondContact CA-O 3.44Å; V327-H513 HydrophobicContact CG1-CB 4.26Å
328	T	94.4	Very high	82.8	Confident	3 Å²	3	27.9 Å²	27.9	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.8	163.2	61.8	0	0	0	0	109.5	N374 W375 V510 E511 E512	T328-N374 HydrophobicContact CG2-CB 4.29Å; T328-W375 HydrophobicContact CG2-CD2 3.68Å; T328-W375 HydrophobicContact CG2-CE3 4.1Å; T328-W375 HydrophobicContact CG2-CG 4.03Å; T328-W375 HydrophobicContact CG2-CH2 4.35Å; T328-W375 HydrophobicContact CG2-CZ2 3.93Å; T328-W375 HydrophobicContact CG2-CZ3 4.41Å; T328-V510 WeakPolarHBondContact O-CA 3.27Å; T328-E511 PolarHBondContact O-N 2.8Å; T328-E512 HydrophobicContact CG2-CB 4.17Å; T328-E512 PolarHBondContact N-O 3.35Å; T328-E512 WeakPolarHBondContact OG1-CB 3.42Å; T328-E512 PolarHBondContact OG1-N 3.14Å
329	L	94.7	Very high	83.3	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120	-179.5	-65.9	170.6	0	0	0	109.1	V327 W340 L341 L403 W458 F467 W508 N509 V510	V327-L329 HydrophobicContact CG2-CD2 4.46Å; V327-L329 HydrophobicContact CG2-CG 4.46Å; L329-W340 CarbonylContact O-C 3.53Å; L329-W340 VanDerWaalsContact O-CA 3.29Å; L329-W340 WeakPolarHBondContact O-CA 3.43Å; L329-L341 HydrophobicContact CB-CB 4.03Å; L329-L341 HydrophobicContact CD1-CD2 3.86Å; L329-L341 PolarHBondContact O-N 3.36Å; L329-L403 HydrophobicContact CD1-CD1 3.96Å; L329-L403 HydrophobicContact CD1-CD2 4.38Å; L329-W458 HydrophobicContact CD2-CH2 4.24Å; L329-W458 HydrophobicContact CD2-CZ2 3.91Å; L329-F467 HydrophobicContact CD1-CE2 3.75Å; L329-F467 HydrophobicContact CD1-CZ 3.85Å; L329-F467 HydrophobicContact CD2-CE2 3.96Å; L329-F467 HydrophobicContact CD2-CZ 3.85Å; L329-F467 HydrophobicContact CG-CE2 4.47Å; L329-W508 HydrophobicContact CB-CE3 4.23Å; L329-N509 WeakPolarHBondContact CA-O 3.22Å; L329-V510 HydrophobicContact CD2-CG2 3.7Å
330	K	91.9	Very high	84	Confident	11 Å²	11	23.6 Å²	23.6	5%	0.048	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.4	176.6	174.9	-176.9	177	-171.6	0	110	S300 C339 W340 W508 N509 E511	S300-K330 WeakPolarHBondContact OG-CD 3.33Å; S300-K330 PolarHBondContact OG-NZ 3.08Å; K330-C339 CarbonylContact C-O 3.58Å; K330-C339 WeakPolarHBondContact CA-O 3.31Å; K330-W340 HydrophobicContact CB-CG 4.39Å; K330-W340 HydrophobicContact CD-CZ2 4.25Å; K330-W508 CarbonylContact O-C 3.52Å; K330-W508 VanDerWaalsContact O-CA 3.27Å; K330-W508 WeakPolarHBondContact O-CA 3.48Å; K330-N509 VanDerWaalsContact CB-OD1 3.3Å; K330-N509 WeakPolarHBondContact CB-OD1 3.39Å; K330-N509 PolarHBondContact N-O 3.2Å; K330-N509 PolarHBondContact O-N 2.84Å; K330-N509 PolarHBondContact O-OD1 2.88Å; K330-E511 HydrophobicContact CB-CB 4.43Å; K330-E511 WeakPolarHBondContact CD-OE1 3.34Å; K330-E511 IonicContact NZ-OE1 2.64Å; K330-E511 PolarHBondContact NZ-OE1 3.24Å
331	S	90.9	Very high	84.5	Confident	4 Å²	4	20.1 Å²	20.1	3%	0.028	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	134.3	176	-179.8	0	0	0	0	110.4	S333 C339	S331-S333 VanDerWaalsContact C-N 3.33Å; S331-S333 PolarHBondContact OG-N 2.74Å; S331-C339 PolarHBondContact N-O 3.12Å
332	V	83.2	Confident	84.7	Confident	43 Å²	43	20.5 Å²	20.5	26%	0.261	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-29.7	178	178.6	0	0	0	0	111.5	E464 V507 N509	V332-E464 HydrophobicContact CG2-CG 4.37Å; V332-V507 HydrophobicContact CB-CB 4.19Å; V332-V507 HydrophobicContact CB-CG1 4.23Å; V332-V507 HydrophobicContact CG2-CB 4.16Å; V332-V507 HydrophobicContact CG2-CG1 3.73Å; V332-V507 PolarHBondContact N-O 2.92Å; V332-N509 HydrophobicContact CG2-CB 4.31Å
333	S	71.6	Confident	85	Confident	23 Å²	23	20.4 Å²	20.4	16%	0.161	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	11.9	-179.1	87	0	0	0	0	114.8	S331 K335 E504 S505	S331-S333 VanDerWaalsContact C-N 3.33Å; S331-S333 PolarHBondContact OG-N 2.74Å; S333-K335 PolarHBondContact O-N 3.25Å; S333-E504 VanDerWaalsContact CB-C 3.46Å; S333-S505 WeakPolarHBondContact OG-CA 3.39Å; S333-S505 WeakPolarHBondContact OG-CB 3.45Å; S333-S505 PolarHBondContact OG-N 3.05Å
334	G	56.9	Low	85.2	Confident	12 Å²	12	20.7 Å²	20.7	12%	0.124	12%	0.116	C	C	.	.			trans	-66.9	71.5	178.8	0	0	0	0	0	111.5	L337	G334-L337 CarbonylContact C-O 3.57Å; G334-L337 WeakPolarHBondContact CA-O 3.35Å; G334-L337 CarbonylContact O-C 2.82Å
335	K	59.7	Low	85.4	Confident	94 Å²	94	29.2 Å²	29.2	41%	0.409	15%	0.153	S	C	.	.			trans	-122.2	128.7	178.8	-64.4	176.8	-167	155.2	0	107.7	S333 E504 K552	S333-K335 PolarHBondContact O-N 3.25Å; K335-E504 IonicContact NZ-OE2 3.75Å; K335-K552 VanDerWaalsContact CE-CE 3.46Å
336	P	58.1	Low	85.5	Confident	106 Å²	106	33 Å²	33	69%	0.688	17%	0.173	S	C	*	.	S	Bend	cis	-82.4	-16.8	10.8	31.2	-34.4	0	0	0	115.3
337	L	69.6	Low	85.7	Confident	84 Å²	84	34.8 Å²	34.8	44%	0.44	18%	0.184	S	C	.	.	S	Bend	trans	-104.1	128.1	-173.2	-73.2	157.4	0	0	0	112.3	G334	G334-L337 CarbonylContact C-O 3.57Å; G334-L337 WeakPolarHBondContact CA-O 3.35Å; G334-L337 CarbonylContact O-C 2.82Å
338	P	80.6	Confident	85.7	Confident	9 Å²	9	34.9 Å²	34.9	6%	0.058	19%	0.185	C	C	.	.			trans	-58.6	150.9	173.9	28.8	-35.5	0	0	0	109.7	W340 P368	P338-W340 HydrophobicContact CB-CH2 3.94Å; P338-W340 HydrophobicContact CB-CZ3 4.01Å; P338-W340 HydrophobicContact CG-CH2 4.17Å; P338-W340 HydrophobicContact CG-CZ3 4.13Å; P338-P368 WeakPolarHBondContact O-CA 3.31Å; P338-P368 VanDerWaalsContact O-CB 3.31Å; P338-P368 WeakPolarHBondContact O-CB 3.11Å
339	C	89.8	Confident	85.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.			trans	-149	119.4	-168.9	-157.9	0	0	0	0	111.6	K330 S331 C366 L478 L491	K330-C339 CarbonylContact C-O 3.58Å; K330-C339 WeakPolarHBondContact CA-O 3.31Å; S331-C339 PolarHBondContact N-O 3.12Å; C339-C366 VanDerWaalsContact CA-SG 3.54Å; C339-C366 HydrophobicContact CB-CB 4.36Å; C339-C366 WeakPolarHBondContact CB-SG 3.26Å; C339-C366 VanDerWaalsContact SG-CA 3.56Å; C339-C366 WeakPolarHBondContact SG-CB 3.21Å; C339-C366 CovalentContact SG-SG 1.98Å; C339-C366 PolarHBondContact SG-SG 2.94Å; C339-L478 HydrophobicContact CB-CD1 4.48Å; C339-L491 HydrophobicContact CB-CD1 4.31Å; C339-L491 WeakPolarHBondContact SG-CD1 3.33Å
340	W	93.5	Very high	85.5	Confident	17 Å²	17	42.7 Å²	42.7	6%	0.064	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139	177.3	-65.6	-93.3	0	0	0	111	L329 K330 P338 H342 C366 Y367 P368 K370 N374 E511	L329-W340 CarbonylContact O-C 3.53Å; L329-W340 VanDerWaalsContact O-CA 3.29Å; L329-W340 WeakPolarHBondContact O-CA 3.43Å; K330-W340 HydrophobicContact CB-CG 4.39Å; K330-W340 HydrophobicContact CD-CZ2 4.25Å; P338-W340 HydrophobicContact CB-CH2 3.94Å; P338-W340 HydrophobicContact CB-CZ3 4.01Å; P338-W340 HydrophobicContact CG-CH2 4.17Å; P338-W340 HydrophobicContact CG-CZ3 4.13Å; W340-H342 PolarHBondContact O-N 3.07Å; W340-C366 CarbonylContact O-C 3.56Å; W340-C366 VanDerWaalsContact O-CA 3.3Å; W340-C366 WeakPolarHBondContact O-CA 3.41Å; W340-Y367 PolarHBondContact N-O 3.16Å; W340-Y367 PolarHBondContact O-N 3.17Å; W340-P368 WeakPolarHBondContact CZ3-O 3.49Å; W340-K370 HydrophobicContact CH2-CG 4.14Å; W340-K370 HydrophobicContact CZ2-CG 3.97Å; W340-N374 HydrophobicContact CB-CB 4.16Å; W340-E511 VanDerWaalsContact CZ2-OE2 3.24Å; W340-E511 WeakPolarHBondContact CZ2-OE2 3.29Å; W340-E511 PolarHBondContact NE1-OE2 3.39Å
341	L	96.5	Very high	85.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	121.1	174.1	-171.9	69.4	0	0	0	109.3	L329 V364 W376 L412 L476 V493 W508	L329-L341 HydrophobicContact CB-CB 4.03Å; L329-L341 HydrophobicContact CD1-CD2 3.86Å; L329-L341 PolarHBondContact O-N 3.36Å; L341-V364 HydrophobicContact CD1-CG1 3.62Å; L341-V364 HydrophobicContact CG-CG1 4.36Å; L341-W376 HydrophobicContact CD2-CD2 4.11Å; L341-W376 HydrophobicContact CD2-CH2 4.35Å; L341-W376 HydrophobicContact CD2-CZ2 3.71Å; L341-W376 HydrophobicContact CG-CZ2 3.66Å; L341-W376 PolarHBondContact O-NE1 2.92Å; L341-L412 HydrophobicContact CD2-CD2 4.33Å; L341-L476 HydrophobicContact CD1-CD2 4.38Å; L341-L476 HydrophobicContact CD2-CD2 4.23Å; L341-V493 HydrophobicContact CD1-CG1 4.08Å; L341-V493 HydrophobicContact CD1-CG2 4.18Å; L341-W508 HydrophobicContact CB-CH2 4.39Å; L341-W508 HydrophobicContact CB-CZ3 3.91Å; L341-W508 HydrophobicContact CD1-CH2 4.11Å; L341-W508 HydrophobicContact CD1-CZ3 4.46Å
342	H	96.7	Very high	85.4	Confident	7 Å²	7	47.8 Å²	47.8	3%	0.032	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.2	-167.4	-176.1	88	0	0	0	110.8	W340 H344 V364 T365 N373 N374	W340-H342 PolarHBondContact O-N 3.07Å; H342-H344 AromaticContact CD2-ND1 3.31Å; H342-H344 PolarHBondContact CD2-ND1 3.18Å; H342-H344 VanDerWaalsContact CD2-ND1 3.31Å; H342-H344 AromaticContact NE2-ND1 3.39Å; H342-H344 PolarHBondContact NE2-ND1 3.15Å; H342-V364 WeakPolarHBondContact O-CA 3.48Å; H342-T365 PolarHBondContact N-O 2.96Å; H342-T365 PolarHBondContact O-N 3.25Å; H342-N373 WeakPolarHBondContact CE1-CB 3.43Å; H342-N374 PolarHBondContact ND1-OD1 3.41Å
343	S	97.3	Very high	85.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	142.3	169.5	-168.7	0	0	0	0	110.9	Q362 Q363 N373 H405 C430	S343-Q362 PolarHBondContact OG-NE2 3.17Å; S343-Q363 WeakPolarHBondContact CB-O 3.3Å; S343-Q363 PolarHBondContact OG-O 3.24Å; S343-N373 PolarHBondContact N-O 2.81Å; S343-N373 WeakPolarHBondContact O-CB 3.34Å; S343-H405 PolarHBondContact O-CE1 3.23Å; S343-H405 PolarHBondContact O-NE2 3.39Å; S343-H405 VanDerWaalsContact O-NE2 3.15Å; S343-C430 PolarHBondContact OG-SG 3.15Å
344	H	95.4	Very high	86	Confident	16 Å²	16	57 Å²	57	7%	0.074	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	168.1	-178.9	48.6	-91	0	0	0	109.6	H342 N346 Q362 Q363 F488 Q490	H342-H344 AromaticContact CD2-ND1 3.31Å; H342-H344 PolarHBondContact CD2-ND1 3.18Å; H342-H344 VanDerWaalsContact CD2-ND1 3.31Å; H342-H344 AromaticContact NE2-ND1 3.39Å; H342-H344 PolarHBondContact NE2-ND1 3.15Å; H344-N346 PolarHBondContact O-N 3Å; H344-Q362 VanDerWaalsContact C-NE2 3.26Å; H344-Q362 VanDerWaalsContact O-CD 3.29Å; H344-Q362 WeakPolarHBondContact O-CG 3.41Å; H344-Q362 PolarHBondContact O-NE2 3.11Å; H344-Q363 PolarHBondContact CE1-OE1 2.92Å; H344-Q363 PolarHBondContact NE2-OE1 3.18Å; H344-F488 AromaticContact CD2-CE2 3.82Å; H344-F488 AromaticContact NE2-CD2 3.8Å; H344-F488 AromaticContact NE2-CE2 3.57Å; H344-Q490 PolarHBondContact CE1-OE1 2.92Å; H344-Q490 VanDerWaalsContact CE1-OE1 3.27Å
345	K	94.1	Very high	87.4	Confident	180 Å²	180	59.2 Å²	59.2	78%	0.783	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	-16.2	-168.9	-66.6	-180	-179	176.8	0	114.9	T408	K345-T408 HydrophobicContact CG-CG2 4.02Å
346	N	95.4	Very high	88.8	Confident	79 Å²	79	57.5 Å²	57.5	42%	0.422	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	148.6	-179.6	-57.2	52.8	0	0	0	111.5	H344 Q363 F488	H344-N346 PolarHBondContact O-N 3Å; N346-Q363 WeakPolarHBondContact O-CG 3.39Å; N346-Q363 PolarHBondContact O-N 3.28Å; N346-F488 HydrophobicContact CB-CE2 4.48Å
347	T	95.4	Very high	90.2	Very high	42 Å²	42	55 Å²	55	26%	0.258	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	157.3	179.7	53.6	0	0	0	0	112	H360 Q361 Q363 I432	T347-H360 WeakPolarHBondContact CB-O 3.41Å; T347-H360 PolarHBondContact OG1-CE1 3.4Å; T347-Q361 CarbonylContact C-O 3.36Å; T347-Q361 WeakPolarHBondContact CA-O 3.29Å; T347-Q361 VanDerWaalsContact CB-O 3.31Å; T347-Q361 WeakPolarHBondContact CB-O 3.04Å; T347-Q363 PolarHBondContact O-NE2 3.15Å; T347-I432 HydrophobicContact CG2-CD1 3.68Å
348	Y	95	Very high	91.2	Very high	2 Å²	2	52 Å²	52	1%	0.008	29%	0.285	C	S	.	.			trans	-59.6	143.4	170	-74.7	-69.7	0	0	0	110	Y352 H360 Q361 Q363 V364 P420 E427 V428 W486	Y348-Y352 HydrophobicContact CD1-CE1 4.26Å; Y348-H360 PolarHBondContact O-ND1 2.83Å; Y348-Q361 PolarHBondContact N-O 2.91Å; Y348-Q363 HydrophobicContact CD1-CG 3.97Å; Y348-Q363 HydrophobicContact CD2-CG 4.26Å; Y348-Q363 HydrophobicContact CE1-CB 4.44Å; Y348-Q363 HydrophobicContact CE1-CG 4.09Å; Y348-Q363 HydrophobicContact CE2-CB 4.38Å; Y348-Q363 HydrophobicContact CE2-CG 4.38Å; Y348-Q363 HydrophobicContact CG-CG 4.04Å; Y348-V364 PolarHBondContact OH-N 2.98Å; Y348-V364 PolarHBondContact OH-O 2.95Å; Y348-P420 HydrophobicContact CE1-CG 4.24Å; Y348-E427 HydrophobicContact CD2-CG 4.35Å; Y348-E427 VanDerWaalsContact CD2-OE1 3.29Å; Y348-E427 WeakPolarHBondContact CD2-OE1 3.5Å; Y348-E427 HydrophobicContact CE2-CG 4.06Å; Y348-V428 WeakPolarHBondContact CE2-O 3.1Å; Y348-V428 PolarHBondContact OH-O 2.72Å; Y348-V428 VanDerWaalsContact OH-O 3.07Å; Y348-W486 AromaticContact CD1-CH2 3.68Å; Y348-W486 HydrophobicContact CD1-CH2 3.68Å; Y348-W486 AromaticContact CD1-CZ3 3.5Å; Y348-W486 HydrophobicContact CD1-CZ3 3.5Å; Y348-W486 AromaticContact CE1-CH2 3.82Å; Y348-W486 HydrophobicContact CE1-CH2 3.82Å; Y348-W486 AromaticContact CE1-CZ3 3.71Å; Y348-W486 HydrophobicContact CE1-CZ3 3.71Å
349	P	94.4	Very high	91.7	Very high	36 Å²	36	52.7 Å²	52.7	23%	0.234	29%	0.29	C	S	.	.			trans	-63.7	141.8	176.2	28.7	-35.2	0	0	0	109.9	I351 Y352 S358 W486	P349-I351 PolarHBondContact O-N 3.46Å; P349-I351 VanDerWaalsContact O-N 3.1Å; P349-Y352 HydrophobicContact CG-CD1 3.91Å; P349-Y352 HydrophobicContact CG-CE1 4.26Å; P349-S358 WeakPolarHBondContact O-CB 3.47Å; P349-S358 PolarHBondContact O-OG 3.48Å; P349-W486 HydrophobicContact CG-CD2 4.02Å; P349-W486 HydrophobicContact CG-CE3 4.47Å; P349-W486 HydrophobicContact CG-CG 4.26Å; P349-W486 HydrophobicContact CG-CZ2 4.47Å
350	M	90.6	Very high	91.9	Very high	132 Å²	132	55.8 Å²	55.8	65%	0.65	31%	0.305	S	S	*	.	S	Bend	trans	-55.8	-32.4	-177.3	-73.3	-160.5	-74	0	0	113.5	G357 S358 H360	M350-G357 WeakPolarHBondContact O-CA 3.46Å; M350-S358 PolarHBondContact O-N 3.29Å; M350-H360 HydrophobicContact CG-CB 4.06Å
351	I	90.8	Very high	91.9	Very high	113 Å²	113	55.6 Å²	55.6	58%	0.579	31%	0.305	S	S	*	.	B	Isolated β-bridge	trans	-130.6	129.2	176.9	-56.3	174.8	0	0	0	107.2	P349 R356	P349-I351 PolarHBondContact O-N 3.46Å; P349-I351 VanDerWaalsContact O-N 3.1Å; I351-R356 WeakPolarHBondContact CA-O 3.37Å
352	Y	88.5	Confident	91.9	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.035	31%	0.306	C	S	.	.			trans	-75.3	165.5	173.7	-58.4	-50.2	0	0	0	111.2	Y348 P349 N354 G355 R356 S358 P420 E427 W486	Y348-Y352 HydrophobicContact CD1-CE1 4.26Å; P349-Y352 HydrophobicContact CG-CD1 3.91Å; P349-Y352 HydrophobicContact CG-CE1 4.26Å; Y352-N354 PolarHBondContact O-N 3.05Å; Y352-G355 PolarHBondContact O-N 3.44Å; Y352-R356 HydrophobicContact CD2-CB 4.17Å; Y352-R356 PolarHBondContact N-O 3.14Å; Y352-S358 WeakPolarHBondContact OH-CB 3.45Å; Y352-P420 HydrophobicContact CD1-CB 3.89Å; Y352-P420 HydrophobicContact CE1-CB 3.63Å; Y352-P420 HydrophobicContact CE1-CG 4.44Å; Y352-P420 HydrophobicContact CE2-CB 4.26Å; Y352-P420 HydrophobicContact CG-CB 4.33Å; Y352-E427 PolarHBondContact OH-OE2 3.36Å; Y352-W486 HydrophobicContact CD1-CZ2 4.43Å
353	E	84.2	Confident	91.9	Very high	163 Å²	163	55.7 Å²	55.7	76%	0.762	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.2	-178.4	-67.1	178.6	177.7	0	0	113.7	G355	E353-G355 VanDerWaalsContact C-N 3.27Å; E353-G355 PolarHBondContact O-N 3.14Å
354	N	83.6	Confident	91.9	Very high	96 Å²	96	55.7 Å²	55.7	51%	0.513	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	13.7	176.4	61.1	8.8	0	0	0	114.5	Y352 R356	Y352-N354 PolarHBondContact O-N 3.05Å; N354-R356 VanDerWaalsContact C-N 3.25Å; N354-R356 VanDerWaalsContact CG-NE 3.32Å; N354-R356 PolarHBondContact ND2-NE 2.92Å; N354-R356 PolarHBondContact ND2-NH2 2.95Å; N354-R356 VanDerWaalsContact ND2-NH2 3.14Å; N354-R356 PolarHBondContact O-N 2.9Å; N354-R356 PolarHBondContact OD1-NE 2.91Å
355	G	86.5	Confident	91.9	Very high	58 Å²	58	55 Å²	55	60%	0.598	30%	0.301	S	S	*	.	S	Bend	trans	78.5	-0.7	175.3	0	0	0	0	0	115.1	Y352 E353	Y352-G355 PolarHBondContact O-N 3.44Å; E353-G355 VanDerWaalsContact C-N 3.27Å; E353-G355 PolarHBondContact O-N 3.14Å
356	R	89.5	Confident	91.9	Very high	58 Å²	58	46.4 Å²	46.4	22%	0.219	26%	0.264	C	S	.	.			trans	-75.2	140.9	175.1	-64.8	-178	-62.1	145.2	-0.5	110.6	I351 Y352 N354 A418 A419 P420	I351-R356 WeakPolarHBondContact CA-O 3.37Å; Y352-R356 HydrophobicContact CD2-CB 4.17Å; Y352-R356 PolarHBondContact N-O 3.14Å; N354-R356 VanDerWaalsContact C-N 3.25Å; N354-R356 VanDerWaalsContact CG-NE 3.32Å; N354-R356 PolarHBondContact ND2-NE 2.92Å; N354-R356 PolarHBondContact ND2-NH2 2.95Å; N354-R356 VanDerWaalsContact ND2-NH2 3.14Å; N354-R356 PolarHBondContact O-N 2.9Å; N354-R356 PolarHBondContact OD1-NE 2.91Å; R356-A418 VanDerWaalsContact NH1-CB 3.26Å; R356-A419 PolarHBondContact NH1-O 3.39Å; R356-A419 PolarHBondContact NH2-O 3.32Å; R356-P420 VanDerWaalsContact NH2-C 3.32Å; R356-P420 PolarHBondContact NH2-O 2.91Å
357	G	87.2	Confident	91.8	Very high	53 Å²	53	45.5 Å²	45.5	55%	0.546	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-71.8	146.5	173	0	0	0	0	0	112	M350	M350-G357 WeakPolarHBondContact O-CA 3.46Å
358	S	91	Very high	91.5	Very high	22 Å²	22	44.9 Å²	44.9	15%	0.154	25%	0.252	C	S	.	.			trans	-108.7	174.8	171.5	84.9	0	0	0	0	111.8	P349 M350 Y352 H360	P349-S358 WeakPolarHBondContact O-CB 3.47Å; P349-S358 PolarHBondContact O-OG 3.48Å; M350-S358 PolarHBondContact O-N 3.29Å; Y352-S358 WeakPolarHBondContact OH-CB 3.45Å; S358-H360 PolarHBondContact O-N 2.97Å; S358-H360 PolarHBondContact OG-N 3.39Å
359	S	90.9	Very high	91.2	Very high	23 Å²	23	51.1 Å²	51.1	16%	0.161	28%	0.279	C	S	.	.			trans	-71.7	-15.4	172.7	79.3	0	0	0	0	114.7	Q361 H415 E427	S359-Q361 PolarHBondContact O-N 2.9Å; S359-Q361 VanDerWaalsContact O-N 3.13Å; S359-Q361 VanDerWaalsContact OG-CB 3.29Å; S359-Q361 WeakPolarHBondContact OG-CB 3.26Å; S359-Q361 WeakPolarHBondContact OG-CG 3.34Å; S359-Q361 PolarHBondContact OG-N 2.94Å; S359-H415 WeakPolarHBondContact CB-NE2 3.3Å; S359-E427 WeakPolarHBondContact CB-OE1 3.21Å; S359-E427 PolarHBondContact N-OE2 2.83Å; S359-E427 PolarHBondContact OG-OE1 3.19Å; S359-E427 PolarHBondContact OG-OE2 3.18Å
360	H	92.8	Very high	90.8	Very high	66 Å²	66	53.5 Å²	53.5	31%	0.306	29%	0.286	S	S	.	.			trans	52.3	22	-167.3	-157.9	49.9	0	0	0	114.7	T347 Y348 M350 S358 Y434	T347-H360 WeakPolarHBondContact CB-O 3.41Å; T347-H360 PolarHBondContact OG1-CE1 3.4Å; Y348-H360 PolarHBondContact O-ND1 2.83Å; M350-H360 HydrophobicContact CG-CB 4.06Å; S358-H360 PolarHBondContact O-N 2.97Å; S358-H360 PolarHBondContact OG-N 3.39Å; H360-Y434 PolarHBondContact O-OH 3.16Å
361	Q	93.7	Very high	90.8	Very high	13 Å²	13	50 Å²	50	6%	0.061	27%	0.27	C	S	.	.			trans	-84.3	174.8	178.9	-64.9	-179.2	8.3	0	0	112.5	T347 Y348 S359 Q363 N413 S429	T347-Q361 CarbonylContact C-O 3.36Å; T347-Q361 WeakPolarHBondContact CA-O 3.29Å; T347-Q361 VanDerWaalsContact CB-O 3.31Å; T347-Q361 WeakPolarHBondContact CB-O 3.04Å; Y348-Q361 PolarHBondContact N-O 2.91Å; S359-Q361 PolarHBondContact O-N 2.9Å; S359-Q361 VanDerWaalsContact O-N 3.13Å; S359-Q361 VanDerWaalsContact OG-CB 3.29Å; S359-Q361 WeakPolarHBondContact OG-CB 3.26Å; S359-Q361 WeakPolarHBondContact OG-CG 3.34Å; S359-Q361 PolarHBondContact OG-N 2.94Å; Q361-Q363 PolarHBondContact O-N 3.18Å; Q361-N413 PolarHBondContact OE1-ND2 3.36Å; Q361-S429 PolarHBondContact OE1-OG 3.46Å
362	Q	96.1	Very high	90.7	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.028	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	133.5	179.5	-175.6	-175.7	-12.9	0	0	110.1	S343 H344 T408 C430 I432	S343-Q362 PolarHBondContact OG-NE2 3.17Å; H344-Q362 VanDerWaalsContact C-NE2 3.26Å; H344-Q362 VanDerWaalsContact O-CD 3.29Å; H344-Q362 WeakPolarHBondContact O-CG 3.41Å; H344-Q362 PolarHBondContact O-NE2 3.11Å; Q362-T408 PolarHBondContact NE2-OG1 2.89Å; Q362-T408 VanDerWaalsContact NE2-OG1 3.15Å; Q362-T408 PolarHBondContact OE1-OG1 3.03Å; Q362-C430 HydrophobicContact CB-CB 3.61Å; Q362-C430 WeakPolarHBondContact CB-O 3.32Å; Q362-C430 HydrophobicContact CG-CB 3.94Å; Q362-C430 PolarHBondContact N-O 3.35Å; Q362-C430 PolarHBondContact O-N 3.15Å; Q362-I432 HydrophobicContact CB-CD1 3.98Å; Q362-I432 HydrophobicContact CB-CG1 4.2Å
363	Q	96.7	Very high	91	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	139.2	-176.5	-63.4	175.3	4.6	0	0	111.4	S343 H344 N346 T347 Y348 Q361 T365 W486	S343-Q363 WeakPolarHBondContact CB-O 3.3Å; S343-Q363 PolarHBondContact OG-O 3.24Å; H344-Q363 PolarHBondContact CE1-OE1 2.92Å; H344-Q363 PolarHBondContact NE2-OE1 3.18Å; N346-Q363 WeakPolarHBondContact O-CG 3.39Å; N346-Q363 PolarHBondContact O-N 3.28Å; T347-Q363 PolarHBondContact O-NE2 3.15Å; Y348-Q363 HydrophobicContact CD1-CG 3.97Å; Y348-Q363 HydrophobicContact CD2-CG 4.26Å; Y348-Q363 HydrophobicContact CE1-CB 4.44Å; Y348-Q363 HydrophobicContact CE1-CG 4.09Å; Y348-Q363 HydrophobicContact CE2-CB 4.38Å; Y348-Q363 HydrophobicContact CE2-CG 4.38Å; Y348-Q363 HydrophobicContact CG-CG 4.04Å; Q361-Q363 PolarHBondContact O-N 3.18Å; Q363-T365 HydrophobicContact CB-CG2 4.39Å; Q363-W486 PolarHBondContact NE2-O 3.15Å; Q363-W486 VanDerWaalsContact NE2-O 3.15Å
364	V	97.5	Very high	91.6	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.4	166.1	176.6	0	0	0	0	107.6	L341 H342 Y348 W376 L412 V428 S429 C430	L341-V364 HydrophobicContact CD1-CG1 3.62Å; L341-V364 HydrophobicContact CG-CG1 4.36Å; H342-V364 WeakPolarHBondContact O-CA 3.48Å; Y348-V364 PolarHBondContact OH-N 2.98Å; Y348-V364 PolarHBondContact OH-O 2.95Å; V364-W376 HydrophobicContact CG2-CH2 4.29Å; V364-L412 HydrophobicContact CB-CD1 4.39Å; V364-L412 HydrophobicContact CG1-CD1 3.88Å; V364-L412 HydrophobicContact CG2-CD1 3.89Å; V364-V428 HydrophobicContact CB-CG1 4.19Å; V364-V428 HydrophobicContact CG1-CG1 4.07Å; V364-S429 VanDerWaalsContact CG2-C 3.44Å; V364-C430 HydrophobicContact CG2-CB 4.11Å
365	T	96	Very high	92.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	-178.7	-173.5	64	0	0	0	0	108.9	H342 Q363 L483 Q490	H342-T365 PolarHBondContact N-O 2.96Å; H342-T365 PolarHBondContact O-N 3.25Å; Q363-T365 HydrophobicContact CB-CG2 4.39Å; T365-L483 HydrophobicContact CG2-CD1 3.61Å; T365-Q490 HydrophobicContact CG2-CB 4.26Å; T365-Q490 PolarHBondContact OG1-OE1 3.35Å
366	C	94.2	Very high	92.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117.8	170.3	-167.4	0	0	0	0	109.5	C339 W340 L478 L491 V493	C339-C366 VanDerWaalsContact CA-SG 3.54Å; C339-C366 HydrophobicContact CB-CB 4.36Å; C339-C366 WeakPolarHBondContact CB-SG 3.26Å; C339-C366 VanDerWaalsContact SG-CA 3.56Å; C339-C366 WeakPolarHBondContact SG-CB 3.21Å; C339-C366 CovalentContact SG-SG 1.98Å; C339-C366 PolarHBondContact SG-SG 2.94Å; W340-C366 CarbonylContact O-C 3.56Å; W340-C366 VanDerWaalsContact O-CA 3.3Å; W340-C366 WeakPolarHBondContact O-CA 3.41Å; C366-L478 HydrophobicContact CB-CD1 3.46Å; C366-L478 VanDerWaalsContact CB-CD1 3.46Å; C366-L478 WeakPolarHBondContact SG-CD1 3.36Å; C366-L491 HydrophobicContact CB-CB 4.07Å; C366-L491 PolarHBondContact N-O 2.95Å; C366-L491 PolarHBondContact O-N 3.41Å; C366-V493 HydrophobicContact CB-CG2 3.6Å
367	Y	93.8	Very high	92.8	Very high	60 Å²	60	31.7 Å²	31.7	24%	0.235	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.5	-170.2	-173.6	-124.7	0	0	0	110.1	W340 F369 D371 Q490	W340-Y367 PolarHBondContact N-O 3.16Å; W340-Y367 PolarHBondContact O-N 3.17Å; Y367-F369 VanDerWaalsContact C-N 3.31Å; Y367-F369 HydrophobicContact CD1-CB 4.21Å; Y367-F369 WeakPolarHBondContact CD1-O 3.43Å; Y367-F369 HydrophobicContact CE1-CB 3.6Å; Y367-F369 HydrophobicContact CE1-CD2 4.19Å; Y367-F369 HydrophobicContact CE1-CG 4.41Å; Y367-F369 HydrophobicContact CE2-CD2 4.04Å; Y367-F369 AromaticContact CZ-CD2 3.69Å; Y367-F369 PolarHBondContact O-N 3.28Å; Y367-D371 HydrophobicContact CD1-CB 4.08Å; Y367-D371 HydrophobicContact CE1-CB 4.06Å; Y367-Q490 HydrophobicContact CD2-CG 4.02Å
368	P	88.2	Confident	93.1	Very high	30 Å²	30	29.1 Å²	29.1	20%	0.195	14%	0.142	C	C	.	.	S	Bend	trans	-88.3	10.6	-173.4	34.5	-36.5	0	0	0	115.2	P338 W340	P338-P368 WeakPolarHBondContact O-CA 3.31Å; P338-P368 VanDerWaalsContact O-CB 3.31Å; P338-P368 WeakPolarHBondContact O-CB 3.11Å; W340-P368 WeakPolarHBondContact CZ3-O 3.49Å
369	F	88	Confident	93.2	Very high	132 Å²	132	29.7 Å²	29.7	58%	0.579	14%	0.142	S	C	*	.	S	Bend	trans	-130	159.8	175.4	-55	-79.9	0	0	0	111.1	Y367 D371 N374	Y367-F369 VanDerWaalsContact C-N 3.31Å; Y367-F369 HydrophobicContact CD1-CB 4.21Å; Y367-F369 WeakPolarHBondContact CD1-O 3.43Å; Y367-F369 HydrophobicContact CE1-CB 3.6Å; Y367-F369 HydrophobicContact CE1-CD2 4.19Å; Y367-F369 HydrophobicContact CE1-CG 4.41Å; Y367-F369 HydrophobicContact CE2-CD2 4.04Å; Y367-F369 AromaticContact CZ-CD2 3.69Å; Y367-F369 PolarHBondContact O-N 3.28Å; F369-D371 PolarHBondContact O-N 3.28Å; F369-N374 PolarHBondContact O-ND2 2.75Å
370	K	86.5	Confident	93.3	Very high	87 Å²	87	29.8 Å²	29.8	38%	0.378	14%	0.14	S	C	.	.			trans	-74	123.7	175.1	-65.5	-170.4	172.2	-148.1	0	110.1	I313 W340 E511 E512	I313-K370 HydrophobicContact CD1-CD 4.38Å; W340-K370 HydrophobicContact CH2-CG 4.14Å; W340-K370 HydrophobicContact CZ2-CG 3.97Å; K370-E511 WeakPolarHBondContact CE-OE2 3.37Å; K370-E511 IonicContact NZ-OE2 2.71Å; K370-E511 PolarHBondContact NZ-OE2 2.93Å; K370-E512 WeakPolarHBondContact CD-OE1 3.46Å; K370-E512 WeakPolarHBondContact CE-OE1 3.37Å; K370-E512 IonicContact NZ-OE1 3.11Å; K370-E512 PolarHBondContact NZ-OE1 3.03Å
371	D	90.7	Very high	93.3	Very high	59 Å²	59	28.9 Å²	28.9	32%	0.316	14%	0.14	S	C	.	.			trans	-140.4	156.4	-178.9	-163.8	-69.6	0	0	0	110.2	Y367 F369 N373 N374	Y367-D371 HydrophobicContact CD1-CB 4.08Å; Y367-D371 HydrophobicContact CE1-CB 4.06Å; F369-D371 PolarHBondContact O-N 3.28Å; D371-N373 PolarHBondContact O-N 3.46Å; D371-N373 WeakPolarHBondContact OD1-CB 3.38Å; D371-N373 PolarHBondContact OD1-N 3.41Å; D371-N373 PolarHBondContact OD1-ND2 3.11Å; D371-N374 PolarHBondContact N-ND2 2.94Å; D371-N374 VanDerWaalsContact O-CB 3.27Å; D371-N374 WeakPolarHBondContact O-CB 3.42Å; D371-N374 PolarHBondContact O-N 3.36Å; D371-N374 VanDerWaalsContact O-N 3.12Å
372	I	90	Very high	92.9	Very high	51 Å²	51	31.4 Å²	31.4	26%	0.262	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-65.9	-28.8	175.1	-69	166.2	0	0	0	111.1	N374 W375 M407 L528 H529	I372-N374 PolarHBondContact O-N 3.31Å; I372-W375 VanDerWaalsContact O-CD1 3.29Å; I372-W375 PolarHBondContact O-N 2.89Å; I372-M407 HydrophobicContact CG2-CE 4.43Å; I372-M407 HydrophobicContact CG2-CG 3.72Å; I372-M407 HydrophobicContact CG2-SD 3.45Å; I372-M407 WeakPolarHBondContact CG2-SD 3.26Å; I372-L528 HydrophobicContact CG2-CB 4.26Å; I372-L528 HydrophobicContact CG2-CD1 4.21Å; I372-H529 VanDerWaalsContact CD1-CE1 3.43Å; I372-H529 WeakPolarHBondContact CD1-CE1 3.34Å
373	N	94.7	Very high	92.4	Very high	43 Å²	43	36.3 Å²	36.3	23%	0.23	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-72.6	2.3	173.4	-67.5	-56.4	0	0	0	113.8	H342 S343 D371 H405	H342-N373 WeakPolarHBondContact CE1-CB 3.43Å; S343-N373 PolarHBondContact N-O 2.81Å; S343-N373 WeakPolarHBondContact O-CB 3.34Å; D371-N373 PolarHBondContact O-N 3.46Å; D371-N373 WeakPolarHBondContact OD1-CB 3.38Å; D371-N373 PolarHBondContact OD1-N 3.41Å; D371-N373 PolarHBondContact OD1-ND2 3.11Å; N373-H405 PolarHBondContact O-NE2 3.1Å
374	N	95	Very high	91.5	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.011	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-89.9	-3.6	173	-58.7	-9.3	0	0	0	112.7	T328 W340 H342 F369 D371 I372	T328-N374 HydrophobicContact CG2-CB 4.29Å; W340-N374 HydrophobicContact CB-CB 4.16Å; H342-N374 PolarHBondContact ND1-OD1 3.41Å; F369-N374 PolarHBondContact O-ND2 2.75Å; D371-N374 PolarHBondContact N-ND2 2.94Å; D371-N374 VanDerWaalsContact O-CB 3.27Å; D371-N374 WeakPolarHBondContact O-CB 3.42Å; D371-N374 PolarHBondContact O-N 3.36Å; D371-N374 VanDerWaalsContact O-N 3.12Å; I372-N374 PolarHBondContact O-N 3.31Å
375	W	94.4	Very high	90.5	Very high	14 Å²	14	49.7 Å²	49.7	5%	0.053	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132	-175.5	-73.3	84.7	0	0	0	112	Q326 T328 I372 G406 E512 R514 L528	Q326-W375 HydrophobicContact CB-CE3 3.94Å; Q326-W375 HydrophobicContact CB-CZ3 4.25Å; Q326-W375 WeakPolarHBondContact O-CZ3 3.42Å; T328-W375 HydrophobicContact CG2-CD2 3.68Å; T328-W375 HydrophobicContact CG2-CE3 4.1Å; T328-W375 HydrophobicContact CG2-CG 4.03Å; T328-W375 HydrophobicContact CG2-CH2 4.35Å; T328-W375 HydrophobicContact CG2-CZ2 3.93Å; T328-W375 HydrophobicContact CG2-CZ3 4.41Å; I372-W375 VanDerWaalsContact O-CD1 3.29Å; I372-W375 PolarHBondContact O-N 2.89Å; W375-G406 WeakPolarHBondContact O-CA 3.27Å; W375-G406 PolarHBondContact O-N 2.93Å; W375-E512 HydrophobicContact CH2-CB 3.61Å; W375-E512 HydrophobicContact CZ2-CB 3.88Å; W375-E512 VanDerWaalsContact CZ2-OE2 3.31Å; W375-E512 WeakPolarHBondContact CZ2-OE2 3.23Å; W375-E512 HydrophobicContact CZ3-CB 4.43Å; W375-R514 HydrophobicContact CE3-CG 4.48Å; W375-R514 HydrophobicContact CH2-CG 4.32Å; W375-R514 HydrophobicContact CZ3-CG 3.79Å; W375-L528 HydrophobicContact CB-CD2 3.83Å; W375-L528 HydrophobicContact CD2-CD2 3.75Å; W375-L528 HydrophobicContact CE3-CD2 4.22Å; W375-L528 HydrophobicContact CG-CD2 3.55Å
376	W	95.8	Very high	89.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.1	179.2	-63.5	83.8	0	0	0	110.2	Q326 V327 L341 V364 L403 V404 H405 L412	Q326-W376 CarbonylContact C-O 3.58Å; Q326-W376 VanDerWaalsContact CA-O 3.29Å; Q326-W376 WeakPolarHBondContact CA-O 3.37Å; V327-W376 PolarHBondContact N-O 3.02Å; V327-W376 PolarHBondContact O-N 3.3Å; L341-W376 HydrophobicContact CD2-CD2 4.11Å; L341-W376 HydrophobicContact CD2-CH2 4.35Å; L341-W376 HydrophobicContact CD2-CZ2 3.71Å; L341-W376 HydrophobicContact CG-CZ2 3.66Å; L341-W376 PolarHBondContact O-NE1 2.92Å; V364-W376 HydrophobicContact CG2-CH2 4.29Å; W376-L403 HydrophobicContact CE3-CB 4.03Å; W376-V404 CarbonylContact C-O 3.58Å; W376-V404 WeakPolarHBondContact CA-O 3.36Å; W376-H405 HydrophobicContact CE3-CB 4.09Å; W376-H405 HydrophobicContact CH2-CB 4.13Å; W376-H405 HydrophobicContact CZ3-CB 3.8Å; W376-L412 HydrophobicContact CH2-CB 4.4Å; W376-L412 HydrophobicContact CH2-CD1 3.83Å; W376-L412 HydrophobicContact CZ3-CB 3.81Å; W376-L412 HydrophobicContact CZ3-CD1 4.11Å; W376-L412 HydrophobicContact CZ3-CG 4.46Å
377	I	94.9	Very high	89.2	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.2	174.6	-59.5	156.4	0	0	0	108.4	S325 Q326 K379 L386 V404	S325-I377 CarbonylContact O-C 3.52Å; S325-I377 WeakPolarHBondContact O-CA 3.39Å; Q326-I377 HydrophobicContact CG-CG1 3.67Å; I377-K379 PolarHBondContact O-N 3.37Å; I377-L386 HydrophobicContact CG2-CD2 4.24Å; I377-V404 HydrophobicContact CB-CB 4.22Å; I377-V404 PolarHBondContact N-O 3.27Å; I377-V404 PolarHBondContact O-N 3.32Å
378	V	94.9	Very high	88.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	100.3	175.8	-174.8	0	0	0	0	109.1	V321 F323 G324 S325 V327 V395 V401 L403 W458	V321-V378 HydrophobicContact CG1-CG2 4.04Å; F323-V378 CarbonylContact C-O 3.41Å; F323-V378 WeakPolarHBondContact CA-O 3.48Å; G324-V378 PolarHBondContact N-O 3.45Å; S325-V378 PolarHBondContact O-N 3.43Å; V327-V378 HydrophobicContact CG2-CG2 3.8Å; V378-V395 HydrophobicContact CG1-CG2 4Å; V378-V401 HydrophobicContact CG1-CB 4.04Å; V378-V401 HydrophobicContact CG1-CG1 3.83Å; V378-L403 HydrophobicContact CG2-CD2 4.11Å; V378-W458 HydrophobicContact CG1-CZ3 4Å; V378-W458 HydrophobicContact CG2-CH2 4.1Å; V378-W458 HydrophobicContact CG2-CZ3 3.8Å
379	K	93.5	Very high	88	Confident	33 Å²	33	51.2 Å²	51.2	14%	0.143	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	142.6	-174.1	-178.8	-169.8	172.6	-161.4	0	112	I377 R383 L386 Q402 V404	I377-K379 PolarHBondContact O-N 3.37Å; K379-R383 WeakPolarHBondContact CE-O 3.15Å; K379-L386 HydrophobicContact CB-CD2 4.35Å; K379-L386 HydrophobicContact CD-CD2 3.8Å; K379-L386 HydrophobicContact CG-CD2 4.17Å; K379-Q402 HydrophobicContact CB-CB 4.12Å; K379-Q402 PolarHBondContact N-O 2.96Å; K379-Q402 PolarHBondContact O-N 3.16Å; K379-V404 HydrophobicContact CB-CG2 4.06Å; K379-V404 HydrophobicContact CD-CG2 4.01Å
380	D	92.8	Very high	87.6	Confident	25 Å²	25	52.9 Å²	52.9	13%	0.134	28%	0.278	C	S	.	.			trans	-77.3	120.8	169.1	-174.3	-24.5	0	0	0	109.1	F323 G382 R383 R393	F323-D380 HydrophobicContact CB-CB 4.28Å; F323-D380 HydrophobicContact CD1-CB 3.59Å; F323-D380 HydrophobicContact CE1-CB 3.99Å; F323-D380 HydrophobicContact CG-CB 3.98Å; D380-G382 PolarHBondContact O-N 2.89Å; D380-G382 PolarHBondContact OD1-N 3.04Å; D380-R383 HydrophobicContact CB-CB 4.36Å; D380-R383 HydrophobicContact CB-CG 4.49Å; D380-R383 PolarHBondContact O-N 3.3Å; D380-R383 VanDerWaalsContact O-O 3.08Å; D380-R393 IonicContact OD2-NH1 3.45Å; D380-R393 PolarHBondContact OD2-NH1 2.99Å
381	P	91	Very high	87.3	Confident	47 Å²	47	54 Å²	54	31%	0.305	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.2	180	21.5	-30.8	0	0	0	113.7	R383 I400 Q402 L443	P381-R383 VanDerWaalsContact C-N 3.29Å; P381-R383 PolarHBondContact O-N 3.12Å; P381-I400 WeakPolarHBondContact CD-O 3.19Å; P381-I400 HydrophobicContact CG-CG2 4.24Å; P381-Q402 HydrophobicContact CB-CG 4.16Å; P381-L443 HydrophobicContact CB-CD2 3.67Å; P381-L443 HydrophobicContact CG-CD2 4.21Å
382	G	87.1	Confident	87	Confident	67 Å²	67	53.5 Å²	53.5	69%	0.691	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.4	177.7	0	0	0	0	0	114.6	D380	D380-G382 PolarHBondContact O-N 2.89Å; D380-G382 PolarHBondContact OD1-N 3.04Å
383	R	83.7	Confident	87	Confident	108 Å²	108	56.3 Å²	56.3	41%	0.408	30%	0.301	S	S	.	.			trans	-128.3	149.4	-176.6	-63.8	-172	177.8	-162.8	1	111.9	K379 D380 P381 N389	K379-R383 WeakPolarHBondContact CE-O 3.15Å; D380-R383 HydrophobicContact CB-CB 4.36Å; D380-R383 HydrophobicContact CB-CG 4.49Å; D380-R383 PolarHBondContact O-N 3.3Å; D380-R383 VanDerWaalsContact O-O 3.08Å; P381-R383 VanDerWaalsContact C-N 3.29Å; P381-R383 PolarHBondContact O-N 3.12Å; R383-N389 PolarHBondContact NH1-ND2 3.23Å; R383-N389 PolarHBondContact NH1-OD1 3.13Å; R383-N389 VanDerWaalsContact NH1-OD1 3.08Å
384	H	78.9	Confident	86.9	Confident	175 Å²	175	55.6 Å²	55.6	81%	0.81	30%	0.299	S	S	*	.			trans	-89.9	-19.1	177.2	-71.7	11.4	0	0	0	113.2
385	Q	77.3	Confident	86.8	Confident	110 Å²	110	55.5 Å²	55.5	51%	0.514	30%	0.298	S	S	.	.			trans	-72.5	138.5	-178.6	-65.8	172.3	-8.5	0	0	111.4
386	L	79.4	Confident	86.8	Confident	34 Å²	34	60.8 Å²	60.8	18%	0.178	32%	0.318	C	S	.	.			trans	-97.8	0.8	176.5	-68	170.4	0	0	0	112.9	I377 K379 V404	I377-L386 HydrophobicContact CG2-CD2 4.24Å; K379-L386 HydrophobicContact CB-CD2 4.35Å; K379-L386 HydrophobicContact CD-CD2 3.8Å; K379-L386 HydrophobicContact CG-CD2 4.17Å; L386-V404 HydrophobicContact CD2-CB 4.46Å; L386-V404 HydrophobicContact CD2-CG1 4.41Å; L386-V404 HydrophobicContact CD2-CG2 4.11Å
387	V	81.7	Confident	86.7	Confident	24 Å²	24	62.5 Å²	62.5	15%	0.145	33%	0.326	C	S	.	.	S	Bend	trans	-100.3	150.8	-171.9	-176.6	0	0	0	0	109.9	G516	V387-G516 WeakPolarHBondContact CG1-O 3.49Å
388	V	79	Confident	86.6	Confident	24 Å²	24	63.7 Å²	63.7	15%	0.145	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-70.6	134.8	177.6	-178.2	0	0	0	0	110.6	A322 G324 P392 Y515 G516	A322-V388 HydrophobicContact CB-CG1 4.3Å; G324-V388 WeakPolarHBondContact O-CG2 3.33Å; V388-P392 HydrophobicContact CG1-CB 3.82Å; V388-P392 HydrophobicContact CG1-CG 4.13Å; V388-Y515 HydrophobicContact CB-CD1 4.37Å; V388-Y515 HydrophobicContact CG1-CD1 3.93Å; V388-Y515 HydrophobicContact CG1-CE1 4.35Å; V388-Y515 HydrophobicContact CG1-CG 4.23Å; V388-Y515 HydrophobicContact CG2-CD1 3.74Å; V388-Y515 HydrophobicContact CG2-CG 4.14Å; V388-G516 PolarHBondContact N-O 2.87Å
389	N	79.7	Confident	86.7	Confident	39 Å²	39	65.7 Å²	65.7	21%	0.209	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-67.4	156.7	174.8	-64.6	-42.7	0	0	0	111.6	R383 P391 P392	R383-N389 PolarHBondContact NH1-ND2 3.23Å; R383-N389 PolarHBondContact NH1-OD1 3.13Å; R383-N389 VanDerWaalsContact NH1-OD1 3.08Å; N389-P391 CarbonylContact C-O 3.57Å; N389-P391 WeakPolarHBondContact CB-O 3.44Å; N389-P391 CarbonylContact O-C 3.49Å; N389-P392 VanDerWaalsContact O-CA 3.29Å; N389-P392 WeakPolarHBondContact O-CA 3.45Å
390	N	78.9	Confident	86.8	Confident	167 Å²	167	67.4 Å²	67.4	89%	0.893	36%	0.36	S	S	*	.	S	Bend	trans	-114.7	108.9	168.7	-121.7	-9.8	0	0	0	109.3
391	P	80.6	Confident	87	Confident	111 Å²	111	66.2 Å²	66.2	72%	0.721	35%	0.353	S	S	*	.	S	Bend	cis	-74.1	157.3	0.9	30.9	-35.2	0	0	0	113.9	N389 R393	N389-P391 CarbonylContact C-O 3.57Å; N389-P391 WeakPolarHBondContact CB-O 3.44Å; N389-P391 CarbonylContact O-C 3.49Å; P391-R393 PolarHBondContact O-N 3.25Å
392	P	83.8	Confident	87.2	Confident	48 Å²	48	64.9 Å²	64.9	31%	0.312	34%	0.343	S	S	.	.			trans	-61.2	133.5	178.6	-20.9	31.6	0	0	0	111.6	A322 V388 N389 P394 Y515	A322-P392 HydrophobicContact CB-CB 3.88Å; V388-P392 HydrophobicContact CG1-CB 3.82Å; V388-P392 HydrophobicContact CG1-CG 4.13Å; N389-P392 VanDerWaalsContact O-CA 3.29Å; N389-P392 WeakPolarHBondContact O-CA 3.45Å; P392-P394 WeakPolarHBondContact O-CD 3.37Å; P392-Y515 HydrophobicContact CB-CE1 4.4Å; P392-Y515 HydrophobicContact CG-CE2 4.13Å
393	R	90.6	Very high	87.7	Confident	110 Å²	110	61.7 Å²	61.7	42%	0.415	31%	0.31	S	S	.	.			trans	-95.2	107.7	174.3	-179.2	-178.6	168.7	-156.6	-3.6	109.3	A322 F323 D380 P391	A322-R393 CarbonylContact C-O 3.51Å; A322-R393 WeakPolarHBondContact CA-O 3.48Å; A322-R393 VanDerWaalsContact CB-O 3.24Å; A322-R393 WeakPolarHBondContact CB-O 3.22Å; F323-R393 HydrophobicContact CD2-CB 4.41Å; F323-R393 HydrophobicContact CD2-CG 4.08Å; F323-R393 HydrophobicContact CE2-CG 4.49Å; F323-R393 PolarHBondContact N-O 3.1Å; D380-R393 IonicContact OD2-NH1 3.45Å; D380-R393 PolarHBondContact OD2-NH1 2.99Å; P391-R393 PolarHBondContact O-N 3.25Å
394	P	91.5	Very high	88.2	Confident	28 Å²	28	56.8 Å²	56.8	18%	0.182	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-68.1	144.4	-178.6	28.2	-34.4	0	0	0	111.3	E320 V321 P392 T457	E320-P394 HydrophobicContact CB-CB 4.26Å; V321-P394 WeakPolarHBondContact O-CA 3.29Å; P392-P394 WeakPolarHBondContact O-CD 3.37Å; P394-T457 HydrophobicContact CB-CG2 3.94Å; P394-T457 HydrophobicContact CG-CG2 4.14Å
395	V	94	Very high	89	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.			trans	-81.3	130.8	173.8	-174.2	0	0	0	0	108.7	V321 F323 V378 D399 V401 L446 W458	V321-V395 PolarHBondContact O-N 3.13Å; F323-V395 HydrophobicContact CD1-CG2 4.15Å; F323-V395 HydrophobicContact CD2-CG2 4Å; F323-V395 HydrophobicContact CE1-CG2 4.16Å; F323-V395 HydrophobicContact CE2-CG2 3.96Å; F323-V395 HydrophobicContact CG-CG2 4.11Å; F323-V395 HydrophobicContact CZ-CG1 4.35Å; F323-V395 HydrophobicContact CZ-CG2 4.05Å; V378-V395 HydrophobicContact CG1-CG2 4Å; V395-D399 HydrophobicContact CG1-CB 3.96Å; V395-V401 HydrophobicContact CG1-CG1 3.76Å; V395-L446 HydrophobicContact CG1-CD2 3.7Å; V395-W458 HydrophobicContact CB-CB 4.39Å; V395-W458 HydrophobicContact CB-CE3 4.14Å; V395-W458 HydrophobicContact CG1-CE3 4.15Å; V395-W458 WeakPolarHBondContact O-CB 3.29Å; V395-W458 PolarHBondContact O-N 2.82Å
396	R	94.2	Very high	89.5	Confident	125 Å²	125	43.4 Å²	43.4	47%	0.472	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-107.4	163.6	-178.2	-65.2	-178.8	179.7	-164.9	-3	111.7	G398 D399 T457	R396-G398 PolarHBondContact O-N 3.47Å; R396-D399 PolarHBondContact N-OD2 3.4Å; R396-D399 WeakPolarHBondContact O-CB 3.48Å; R396-D399 PolarHBondContact O-N 2.78Å; R396-T457 HydrophobicContact CG-CG2 4.16Å
397	H	93.4	Very high	90	Very high	36 Å²	36	43.7 Å²	43.7	17%	0.167	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	130	169.2	177.4	49.3	0	0	0	111.2	D399 L446 D447 I448 R451 D456	H397-D399 VanDerWaalsContact C-N 3.34Å; H397-L446 PolarHBondContact ND1-O 3.26Å; H397-D447 IonicContact CE1-OD1 2.74Å; H397-D447 PolarHBondContact CE1-OD1 3.32Å; H397-D447 IonicContact ND1-OD1 3.89Å; H397-D447 IonicContact NE2-OD1 3.68Å; H397-I448 HydrophobicContact CB-CB 4.45Å; H397-I448 HydrophobicContact CB-CD1 4.03Å; H397-I448 HydrophobicContact CB-CG1 4.13Å; H397-I448 PolarHBondContact ND1-N 3.15Å; H397-R451 PolarHBondContact CE1-NH1 2.91Å; H397-R451 VanDerWaalsContact CE1-NH1 3.28Å; H397-R451 PolarHBondContact NE2-NH1 3.42Å; H397-R451 PolarHBondContact NE2-NH2 3.22Å; H397-D456 PolarHBondContact N-O 3.18Å
398	G	93.7	Very high	90.5	Very high	26 Å²	26	43.4 Å²	43.4	27%	0.268	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-8.6	178.1	0	0	0	0	0	114.9	R396 L446	R396-G398 PolarHBondContact O-N 3.47Å; G398-L446 WeakPolarHBondContact CA-O 3.2Å; G398-L446 PolarHBondContact N-O 3.03Å
399	D	95.4	Very high	91.1	Very high	42 Å²	42	44.8 Å²	44.8	23%	0.225	24%	0.239	C	C	.	.			trans	-64.7	148.4	174.2	-77.2	-17.5	0	0	0	111.2	F323 V395 R396 H397 L446	F323-D399 HydrophobicContact CZ-CB 4.3Å; V395-D399 HydrophobicContact CG1-CB 3.96Å; R396-D399 PolarHBondContact N-OD2 3.4Å; R396-D399 WeakPolarHBondContact O-CB 3.48Å; R396-D399 PolarHBondContact O-N 2.78Å; H397-D399 VanDerWaalsContact C-N 3.34Å; D399-L446 PolarHBondContact O-N 2.94Å
400	I	96.4	Very high	91.7	Very high	70 Å²	70	47.7 Å²	47.7	36%	0.359	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.2	174.5	-57.3	174.5	0	0	0	108.3	P381 L443 W444 V470	P381-I400 WeakPolarHBondContact CD-O 3.19Å; P381-I400 HydrophobicContact CG-CG2 4.24Å; I400-L443 HydrophobicContact CG2-CB 3.93Å; I400-L443 HydrophobicContact CG2-CD2 4.12Å; I400-L443 HydrophobicContact CG2-CG 4.44Å; I400-W444 CarbonylContact C-O 3.51Å; I400-W444 WeakPolarHBondContact CA-O 3.45Å; I400-V470 HydrophobicContact CD1-CG2 4.4Å; I400-V470 HydrophobicContact CG1-CG2 4.42Å; I400-V470 HydrophobicContact CG2-CG2 4.21Å
401	V	96.1	Very high	92.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	155.4	-178.8	-58.1	0	0	0	0	110.9	F323 V378 V395 W444 F467	F323-V401 HydrophobicContact CE1-CG1 3.86Å; F323-V401 HydrophobicContact CZ-CG1 4.43Å; V378-V401 HydrophobicContact CG1-CB 4.04Å; V378-V401 HydrophobicContact CG1-CG1 3.83Å; V395-V401 HydrophobicContact CG1-CG1 3.76Å; V401-W444 HydrophobicContact CG2-CB 4.24Å; V401-W444 WeakPolarHBondContact CG2-O 3.42Å; V401-W444 PolarHBondContact N-O 2.88Å; V401-W444 PolarHBondContact O-N 3.37Å; V401-F467 HydrophobicContact CG2-CE1 4.47Å
402	Q	95.8	Very high	93.2	Very high	18 Å²	18	36.2 Å²	36.2	8%	0.084	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.2	162.4	-75.3	180	-24.8	0	0	108.4	K379 P381 L411 N442 L443	K379-Q402 HydrophobicContact CB-CB 4.12Å; K379-Q402 PolarHBondContact N-O 2.96Å; K379-Q402 PolarHBondContact O-N 3.16Å; P381-Q402 HydrophobicContact CB-CG 4.16Å; Q402-L411 HydrophobicContact CB-CD2 3.81Å; Q402-L411 HydrophobicContact CG-CD2 4.14Å; Q402-N442 PolarHBondContact NE2-ND2 2.69Å; Q402-N442 VanDerWaalsContact NE2-ND2 3.15Å; Q402-N442 PolarHBondContact NE2-OD1 2.9Å; Q402-N442 VanDerWaalsContact NE2-OD1 3.11Å; Q402-L443 HydrophobicContact CG-CD2 3.96Å
403	L	96.7	Very high	93.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.5	172.4	-67.1	173.9	0	0	0	108.6	L329 W376 V378 L412 F467	L329-L403 HydrophobicContact CD1-CD1 3.96Å; L329-L403 HydrophobicContact CD1-CD2 4.38Å; W376-L403 HydrophobicContact CE3-CB 4.03Å; V378-L403 HydrophobicContact CG2-CD2 4.11Å; L403-L412 HydrophobicContact CB-CB 3.9Å; L403-L412 HydrophobicContact CB-CD2 4.2Å; L403-L412 HydrophobicContact CD1-CD2 3.65Å; L403-L412 PolarHBondContact O-N 3.12Å; L403-F467 HydrophobicContact CD1-CD1 3.96Å; L403-F467 HydrophobicContact CD1-CD2 4.44Å; L403-F467 HydrophobicContact CD1-CE1 3.87Å; L403-F467 HydrophobicContact CD1-CE2 4.36Å; L403-F467 HydrophobicContact CD1-CG 4.24Å; L403-F467 HydrophobicContact CD1-CZ 4.07Å; L403-F467 HydrophobicContact CD2-CE1 4.37Å; L403-F467 HydrophobicContact CG-CE1 4.48Å
404	V	95.2	Very high	94	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.03	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.4	-180	179.4	0	0	0	0	108.7	W376 I377 K379 L386 G406 R410 L411	W376-V404 CarbonylContact C-O 3.58Å; W376-V404 WeakPolarHBondContact CA-O 3.36Å; I377-V404 HydrophobicContact CB-CB 4.22Å; I377-V404 PolarHBondContact N-O 3.27Å; I377-V404 PolarHBondContact O-N 3.32Å; K379-V404 HydrophobicContact CB-CG2 4.06Å; K379-V404 HydrophobicContact CD-CG2 4.01Å; L386-V404 HydrophobicContact CD2-CB 4.46Å; L386-V404 HydrophobicContact CD2-CG1 4.41Å; L386-V404 HydrophobicContact CD2-CG2 4.11Å; V404-G406 PolarHBondContact O-N 3.45Å; V404-R410 CarbonylContact C-O 3.59Å; V404-R410 WeakPolarHBondContact CA-O 3.17Å; V404-L411 HydrophobicContact CG2-CD2 3.57Å; V404-L411 HydrophobicContact CG2-CG 4.3Å
405	H	95.2	Very high	94	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	126.4	176.4	-178.8	-125.6	0	0	0	110.4	S343 N373 W376 M407 T408 T409 R410	S343-H405 PolarHBondContact O-CE1 3.23Å; S343-H405 PolarHBondContact O-NE2 3.39Å; S343-H405 VanDerWaalsContact O-NE2 3.15Å; N373-H405 PolarHBondContact O-NE2 3.1Å; W376-H405 HydrophobicContact CE3-CB 4.09Å; W376-H405 HydrophobicContact CH2-CB 4.13Å; W376-H405 HydrophobicContact CZ3-CB 3.8Å; H405-M407 PolarHBondContact O-N 2.98Å; H405-T408 PolarHBondContact ND1-N 2.87Å; H405-T408 PolarHBondContact ND1-OG1 2.65Å; H405-T409 WeakPolarHBondContact O-CA 3.35Å; H405-T409 PolarHBondContact O-N 3.31Å; H405-R410 PolarHBondContact N-O 3.44Å
406	G	89.3	Confident	93.8	Very high	5 Å²	5	34.6 Å²	34.6	5%	0.052	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-43.2	-168.8	0	0	0	0	0	113.6	W375 V404	W375-G406 WeakPolarHBondContact O-CA 3.27Å; W375-G406 PolarHBondContact O-N 2.93Å; V404-G406 PolarHBondContact O-N 3.45Å
407	M	89.9	Confident	93.6	Very high	40 Å²	40	30.2 Å²	30.2	20%	0.197	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-42.9	-176.4	-70.6	-60.8	-64.8	0	0	113.7	I372 H405 Q521 E525 L528	I372-M407 HydrophobicContact CG2-CE 4.43Å; I372-M407 HydrophobicContact CG2-CG 3.72Å; I372-M407 HydrophobicContact CG2-SD 3.45Å; I372-M407 WeakPolarHBondContact CG2-SD 3.26Å; H405-M407 PolarHBondContact O-N 2.98Å; M407-Q521 PolarHBondContact O-NE2 2.77Å; M407-E525 HydrophobicContact CE-CG 3.84Å; M407-E525 HydrophobicContact SD-CG 3.97Å; M407-L528 HydrophobicContact SD-CD1 3.79Å
408	T	91.4	Very high	93.6	Very high	18 Å²	18	30.3 Å²	30.3	11%	0.11	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-7.3	-176.5	67.6	0	0	0	0	113.6	K345 Q362 H405 R410	K345-T408 HydrophobicContact CG-CG2 4.02Å; Q362-T408 PolarHBondContact NE2-OG1 2.89Å; Q362-T408 VanDerWaalsContact NE2-OG1 3.15Å; Q362-T408 PolarHBondContact OE1-OG1 3.03Å; H405-T408 PolarHBondContact ND1-N 2.87Å; H405-T408 PolarHBondContact ND1-OG1 2.65Å; T408-R410 PolarHBondContact O-N 3.34Å
409	T	90.6	Very high	93.6	Very high	52 Å²	52	29 Å²	29	32%	0.319	16%	0.156	S	C	.	.			trans	57.2	14.4	-177.3	67	0	0	0	0	114.6	H405 Q521	H405-T409 WeakPolarHBondContact O-CA 3.35Å; H405-T409 PolarHBondContact O-N 3.31Å; T409-Q521 HydrophobicContact CG2-CG 4.44Å
410	R	92.8	Very high	93.5	Very high	100 Å²	100	27.4 Å²	27.4	38%	0.377	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-81.6	153.7	177.1	-60.5	-53.1	-173.5	162.6	-2.4	110.9	V404 H405 T408 C430 Y431	V404-R410 CarbonylContact C-O 3.59Å; V404-R410 WeakPolarHBondContact CA-O 3.17Å; H405-R410 PolarHBondContact N-O 3.44Å; T408-R410 PolarHBondContact O-N 3.34Å; R410-C430 HydrophobicContact CB-CB 3.75Å; R410-Y431 WeakPolarHBondContact CD-O 3.36Å
411	L	95	Very high	93.2	Very high	37 Å²	37	27.3 Å²	27.3	19%	0.194	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-94.8	132.6	-175.5	-73.3	144	0	0	0	110.3	Q402 V404 N413 C430 Y431 N442	Q402-L411 HydrophobicContact CB-CD2 3.81Å; Q402-L411 HydrophobicContact CG-CD2 4.14Å; V404-L411 HydrophobicContact CG2-CD2 3.57Å; V404-L411 HydrophobicContact CG2-CG 4.3Å; L411-N413 PolarHBondContact O-N 2.84Å; L411-C430 CarbonylContact O-C 3.5Å; L411-C430 WeakPolarHBondContact O-CA 3.17Å; L411-Y431 PolarHBondContact O-N 3.47Å; L411-N442 HydrophobicContact CB-CB 3.97Å; L411-N442 VanDerWaalsContact CD1-ND2 3.28Å; L411-N442 WeakPolarHBondContact CD1-ND2 3.49Å
412	L	97.3	Very high	93	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	126.4	170.9	-171.5	69.7	0	0	0	109.5	L341 V364 W376 L403 V428 N442 W444 L476	L341-L412 HydrophobicContact CD2-CD2 4.33Å; V364-L412 HydrophobicContact CB-CD1 4.39Å; V364-L412 HydrophobicContact CG1-CD1 3.88Å; V364-L412 HydrophobicContact CG2-CD1 3.89Å; W376-L412 HydrophobicContact CH2-CB 4.4Å; W376-L412 HydrophobicContact CH2-CD1 3.83Å; W376-L412 HydrophobicContact CZ3-CB 3.81Å; W376-L412 HydrophobicContact CZ3-CD1 4.11Å; W376-L412 HydrophobicContact CZ3-CG 4.46Å; L403-L412 HydrophobicContact CB-CB 3.9Å; L403-L412 HydrophobicContact CB-CD2 4.2Å; L403-L412 HydrophobicContact CD1-CD2 3.65Å; L403-L412 PolarHBondContact O-N 3.12Å; L412-V428 HydrophobicContact CD1-CG1 3.6Å; L412-V428 HydrophobicContact CG-CG1 4.34Å; L412-N442 WeakPolarHBondContact O-CA 3.4Å; L412-W444 HydrophobicContact CD2-CZ2 3.92Å; L412-W444 HydrophobicContact CG-CZ2 3.89Å; L412-W444 PolarHBondContact O-NE1 3.31Å; L412-L476 HydrophobicContact CD2-CD1 4.5Å; L412-L476 HydrophobicContact CD2-CD2 4.22Å
413	N	95.3	Very high	92.7	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.9	-170.3	176	80.3	0	0	0	109.5	Q361 L411 H415 S429 Q441	Q361-N413 PolarHBondContact OE1-ND2 3.36Å; L411-N413 PolarHBondContact O-N 2.84Å; N413-H415 PolarHBondContact ND2-ND1 3.07Å; N413-H415 VanDerWaalsContact ND2-ND1 3.18Å; N413-S429 WeakPolarHBondContact CA-O 3.32Å; N413-S429 PolarHBondContact N-O 3.19Å; N413-S429 PolarHBondContact ND2-OG 3.27Å; N413-S429 PolarHBondContact O-N 3.28Å; N413-S429 VanDerWaalsContact O-O 3.07Å; N413-Q441 WeakPolarHBondContact OD1-CA 3.45Å; N413-Q441 PolarHBondContact OD1-N 3.01Å; N413-Q441 PolarHBondContact OD1-O 2.77Å
414	T	94.5	Very high	92.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	153.7	163.8	-170.7	0	0	0	0	108.2	Q426 E427 W444 H469	T414-Q426 WeakPolarHBondContact OG1-CB 3.39Å; T414-E427 PolarHBondContact OG1-O 2.97Å; T414-W444 HydrophobicContact CG2-CH2 3.62Å; T414-W444 HydrophobicContact CG2-CZ2 3.94Å; T414-W444 HydrophobicContact CG2-CZ3 4.41Å; T414-H469 HydrophobicContact CG2-CB 3.67Å; T414-H469 WeakPolarHBondContact CG2-ND1 3.35Å; T414-H469 PolarHBondContact O-CE1 3.24Å
415	H	91.6	Very high	92.2	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.023	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	174.3	-167.5	53.3	-69	0	0	0	109	S359 N413 V417 E427 S429	S359-H415 WeakPolarHBondContact CB-NE2 3.3Å; N413-H415 PolarHBondContact ND2-ND1 3.07Å; N413-H415 VanDerWaalsContact ND2-ND1 3.18Å; H415-V417 WeakPolarHBondContact CD2-CG2 3.45Å; H415-V417 WeakPolarHBondContact NE2-CG2 3.29Å; H415-V417 PolarHBondContact O-N 2.83Å; H415-E427 IonicContact CE1-OE1 3.65Å; H415-S429 PolarHBondContact CE1-OG 2.84Å
416	D	89.4	Confident	92.2	Very high	145 Å²	145	40.5 Å²	40.5	78%	0.775	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	53.4	-175	-155.1	30.7	0	0	0	112.6
417	V	91.5	Very high	92.5	Very high	33 Å²	33	40.3 Å²	40.3	20%	0.2	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.4	171.4	170.8	0	0	0	0	107.1	H415 Q426 E427	H415-V417 WeakPolarHBondContact CD2-CG2 3.45Å; H415-V417 WeakPolarHBondContact NE2-CG2 3.29Å; H415-V417 PolarHBondContact O-N 2.83Å; V417-Q426 CarbonylContact O-C 3.54Å; V417-Q426 WeakPolarHBondContact O-CA 2.97Å; V417-E427 HydrophobicContact CB-CB 4.28Å; V417-E427 HydrophobicContact CG1-CB 4.11Å; V417-E427 WeakPolarHBondContact CG1-OE2 3.31Å; V417-E427 PolarHBondContact O-N 2.67Å
418	A	92.7	Very high	92.8	Very high	37 Å²	37	38.4 Å²	38.4	31%	0.306	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	140.4	-176.9	0	0	0	0	0	111.5	R356 P423 S425	R356-A418 VanDerWaalsContact NH1-CB 3.26Å; A418-P423 WeakPolarHBondContact CB-O 3.2Å; A418-S425 WeakPolarHBondContact CA-O 3.46Å
419	A	94	Very high	93	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.			trans	-62.8	153	-179.5	0	0	0	0	0	112.5	R356 L421 S422 S425 V494	R356-A419 PolarHBondContact NH1-O 3.39Å; R356-A419 PolarHBondContact NH2-O 3.32Å; A419-L421 PolarHBondContact O-N 3Å; A419-S422 WeakPolarHBondContact CB-O 3.3Å; A419-S425 PolarHBondContact N-O 3.45Å; A419-V494 HydrophobicContact CB-CB 4.33Å; A419-V494 HydrophobicContact CB-CG1 3.6Å
420	P	91.8	Very high	93.3	Very high	7 Å²	7	35 Å²	35	5%	0.045	19%	0.185	C	C	.	.	S	Bend	trans	-60.2	-41.2	-171.4	16.5	-28.9	0	0	0	114.6	Y348 Y352 R356 L483 W486 E492	Y348-P420 HydrophobicContact CE1-CG 4.24Å; Y352-P420 HydrophobicContact CD1-CB 3.89Å; Y352-P420 HydrophobicContact CE1-CB 3.63Å; Y352-P420 HydrophobicContact CE1-CG 4.44Å; Y352-P420 HydrophobicContact CE2-CB 4.26Å; Y352-P420 HydrophobicContact CG-CB 4.33Å; R356-P420 VanDerWaalsContact NH2-C 3.32Å; R356-P420 PolarHBondContact NH2-O 2.91Å; P420-L483 HydrophobicContact CB-CD2 4.38Å; P420-L483 HydrophobicContact CG-CD2 3.77Å; P420-W486 HydrophobicContact CB-CH2 3.88Å; P420-W486 HydrophobicContact CB-CZ2 3.89Å; P420-W486 HydrophobicContact CG-CH2 4.01Å; P420-W486 HydrophobicContact CG-CZ2 4.49Å; P420-E492 VanDerWaalsContact CD-OE1 3.26Å; P420-E492 WeakPolarHBondContact CD-OE1 3.46Å; P420-E492 HydrophobicContact CG-CG 4.32Å; P420-E492 WeakPolarHBondContact CG-OE1 3.13Å
421	L	91.6	Very high	93.3	Very high	69 Å²	69	31.8 Å²	31.8	36%	0.361	17%	0.173	S	C	.	.	S	Bend	trans	-108	-28.4	179.2	-58.6	177.3	0	0	0	112.2	A419 P423 A481 H482 L483 P484 E492	A419-L421 PolarHBondContact O-N 3Å; L421-P423 WeakPolarHBondContact O-CD 3.38Å; L421-A481 HydrophobicContact CB-CB 4.34Å; L421-A481 HydrophobicContact CD1-CB 3.67Å; L421-H482 WeakPolarHBondContact CD1-O 3.34Å; L421-L483 HydrophobicContact CD1-CD2 4.09Å; L421-L483 HydrophobicContact CG-CD2 4.31Å; L421-P484 HydrophobicContact CD2-CG 4.46Å; L421-E492 PolarHBondContact N-OE1 3.29Å
422	S	91.3	Very high	93.1	Very high	27 Å²	27	31.2 Å²	31.2	19%	0.189	17%	0.17	C	C	.	.			trans	-107.4	81.1	-177.3	-58.5	0	0	0	0	112.2	A419 H424 S425 S479 E492	A419-S422 WeakPolarHBondContact CB-O 3.3Å; S422-H424 PolarHBondContact O-N 3.14Å; S422-S425 PolarHBondContact O-N 2.96Å; S422-S479 PolarHBondContact OG-OG 3.04Å; S422-S479 VanDerWaalsContact OG-OG 3.04Å; S422-E492 WeakPolarHBondContact CB-OE2 3.48Å; S422-E492 PolarHBondContact N-OE1 3.02Å; S422-E492 PolarHBondContact OG-OE2 3.44Å
423	P	89.6	Confident	92.4	Very high	64 Å²	64	35.7 Å²	35.7	42%	0.416	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.4	-170.2	25.8	-36.5	0	0	0	115.1	A418 L421 S425	A418-P423 WeakPolarHBondContact CB-O 3.2Å; L421-P423 WeakPolarHBondContact O-CD 3.38Å; P423-S425 VanDerWaalsContact C-N 3.31Å
424	H	89.7	Confident	91.8	Very high	183 Å²	183	40.4 Å²	40.4	85%	0.847	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-13.2	177.5	-54.7	-62.4	0	0	0	113.4	S422	S422-H424 PolarHBondContact O-N 3.14Å
425	S	92.6	Very high	90.9	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.063	25%	0.252	C	S	.	.	S	Bend	trans	-106.8	161.7	179	-62.2	0	0	0	0	111.3	A418 A419 S422 P423	A418-S425 WeakPolarHBondContact CA-O 3.46Å; A419-S425 PolarHBondContact N-O 3.45Å; S422-S425 PolarHBondContact O-N 2.96Å; P423-S425 VanDerWaalsContact C-N 3.31Å
426	Q	94.3	Very high	89.8	Confident	17 Å²	17	53.1 Å²	53.1	8%	0.079	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	143	178.4	-64.3	-174	-37.9	0	0	111.5	T414 V417 T472 V494 G495	T414-Q426 WeakPolarHBondContact OG1-CB 3.39Å; V417-Q426 CarbonylContact O-C 3.54Å; V417-Q426 WeakPolarHBondContact O-CA 2.97Å; Q426-T472 VanDerWaalsContact OE1-CB 3.24Å; Q426-T472 PolarHBondContact OE1-OG1 3.21Å; Q426-V494 WeakPolarHBondContact O-CA 3.29Å; Q426-G495 WeakPolarHBondContact CB-O 3.17Å; Q426-G495 PolarHBondContact N-O 3.16Å; Q426-G495 PolarHBondContact O-N 3.09Å
427	E	95.4	Very high	88.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	134.6	170.5	-166	-159.9	112.7	0	0	109.3	Y348 Y352 S359 T414 H415 V417	Y348-E427 HydrophobicContact CD2-CG 4.35Å; Y348-E427 VanDerWaalsContact CD2-OE1 3.29Å; Y348-E427 WeakPolarHBondContact CD2-OE1 3.5Å; Y348-E427 HydrophobicContact CE2-CG 4.06Å; Y352-E427 PolarHBondContact OH-OE2 3.36Å; S359-E427 WeakPolarHBondContact CB-OE1 3.21Å; S359-E427 PolarHBondContact N-OE2 2.83Å; S359-E427 PolarHBondContact OG-OE1 3.19Å; S359-E427 PolarHBondContact OG-OE2 3.18Å; T414-E427 PolarHBondContact OG1-O 2.97Å; H415-E427 IonicContact CE1-OE1 3.65Å; V417-E427 HydrophobicContact CB-CB 4.28Å; V417-E427 HydrophobicContact CG1-CB 4.11Å; V417-E427 WeakPolarHBondContact CG1-OE2 3.31Å; V417-E427 PolarHBondContact O-N 2.67Å
428	V	96.6	Very high	88	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.9	171.6	178.1	0	0	0	0	107.8	Y348 V364 L412 L476 V493	Y348-V428 WeakPolarHBondContact CE2-O 3.1Å; Y348-V428 PolarHBondContact OH-O 2.72Å; Y348-V428 VanDerWaalsContact OH-O 3.07Å; V364-V428 HydrophobicContact CB-CG1 4.19Å; V364-V428 HydrophobicContact CG1-CG1 4.07Å; L412-V428 HydrophobicContact CD1-CG1 3.6Å; L412-V428 HydrophobicContact CG-CG1 4.34Å; V428-L476 HydrophobicContact CB-CD1 4.41Å; V428-L476 HydrophobicContact CG1-CD1 3.79Å; V428-L476 HydrophobicContact CG2-CD1 3.92Å; V428-V493 HydrophobicContact CB-CG1 4.35Å; V428-V493 HydrophobicContact CG1-CG1 4.33Å; V428-V493 HydrophobicContact CG2-CG1 4.46Å
429	S	96.1	Very high	87.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	165	-172.6	62.3	0	0	0	0	111.3	Q361 V364 N413 H415	Q361-S429 PolarHBondContact OE1-OG 3.46Å; V364-S429 VanDerWaalsContact CG2-C 3.44Å; N413-S429 WeakPolarHBondContact CA-O 3.32Å; N413-S429 PolarHBondContact N-O 3.19Å; N413-S429 PolarHBondContact ND2-OG 3.27Å; N413-S429 PolarHBondContact O-N 3.28Å; N413-S429 VanDerWaalsContact O-O 3.07Å; H415-S429 PolarHBondContact CE1-OG 2.84Å
430	C	95.9	Very high	87.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.7	164.5	-95.3	0	0	0	0	107.7	S343 Q362 V364 R410 L411 I432	S343-C430 PolarHBondContact OG-SG 3.15Å; Q362-C430 HydrophobicContact CB-CB 3.61Å; Q362-C430 WeakPolarHBondContact CB-O 3.32Å; Q362-C430 HydrophobicContact CG-CB 3.94Å; Q362-C430 PolarHBondContact N-O 3.35Å; Q362-C430 PolarHBondContact O-N 3.15Å; V364-C430 HydrophobicContact CG2-CB 4.11Å; R410-C430 HydrophobicContact CB-CB 3.75Å; L411-C430 CarbonylContact O-C 3.5Å; L411-C430 WeakPolarHBondContact O-CA 3.17Å; C430-I432 PolarHBondContact O-N 3.05Å
431	Y	94.1	Very high	87.3	Confident	32 Å²	32	62 Å²	62	13%	0.125	34%	0.336	C	S	.	.			trans	-60.9	128.9	-170.7	-179.8	-100.3	0	0	0	112.2	R410 L411 D433 M438 A440	R410-Y431 WeakPolarHBondContact CD-O 3.36Å; L411-Y431 PolarHBondContact O-N 3.47Å; Y431-D433 HydrophobicContact CE1-CB 3.77Å; Y431-M438 PolarHBondContact OH-O 2.85Å; Y431-A440 HydrophobicContact CD1-CB 3.7Å; Y431-A440 HydrophobicContact CD2-CB 4.05Å; Y431-A440 HydrophobicContact CE1-CB 3.8Å; Y431-A440 HydrophobicContact CE2-CB 4.15Å; Y431-A440 HydrophobicContact CG-CB 3.82Å
432	I	89.3	Confident	87.4	Confident	24 Å²	24	59.4 Å²	59.4	12%	0.123	32%	0.323	C	S	.	.			trans	-113.3	121.2	169.5	-59.6	176.4	0	0	0	107.2	T347 Q362 C430 Y434	T347-I432 HydrophobicContact CG2-CD1 3.68Å; Q362-I432 HydrophobicContact CB-CD1 3.98Å; Q362-I432 HydrophobicContact CB-CG1 4.2Å; C430-I432 PolarHBondContact O-N 3.05Å; I432-Y434 HydrophobicContact CB-CD2 4.22Å; I432-Y434 HydrophobicContact CB-CE2 3.7Å; I432-Y434 HydrophobicContact CD1-CE2 4.48Å; I432-Y434 WeakPolarHBondContact CD1-OH 3.47Å; I432-Y434 HydrophobicContact CG2-CD1 4.2Å; I432-Y434 HydrophobicContact CG2-CD2 4.06Å; I432-Y434 HydrophobicContact CG2-CE1 3.85Å; I432-Y434 HydrophobicContact CG2-CE2 3.7Å; I432-Y434 HydrophobicContact CG2-CG 4.3Å; I432-Y434 WeakPolarHBondContact O-CD2 3.33Å; I432-Y434 PolarHBondContact O-N 3.49Å
433	D	83.5	Confident	87.6	Confident	95 Å²	95	60.5 Å²	60.5	51%	0.508	33%	0.326	S	S	.	.			trans	-75.8	102.8	172.1	-169.4	-4	0	0	0	109.2	Y431 N435	Y431-D433 HydrophobicContact CE1-CB 3.77Å; D433-N435 WeakPolarHBondContact OD1-CA 3.21Å; D433-N435 PolarHBondContact OD1-N 2.95Å
434	Y	81.7	Confident	88	Confident	101 Å²	101	57.5 Å²	57.5	40%	0.396	31%	0.307	S	S	.	.			trans	-86.8	10.5	173.3	-71.9	-70.6	0	0	0	112.7	H360 I432 I436	H360-Y434 PolarHBondContact O-OH 3.16Å; I432-Y434 HydrophobicContact CB-CD2 4.22Å; I432-Y434 HydrophobicContact CB-CE2 3.7Å; I432-Y434 HydrophobicContact CD1-CE2 4.48Å; I432-Y434 WeakPolarHBondContact CD1-OH 3.47Å; I432-Y434 HydrophobicContact CG2-CD1 4.2Å; I432-Y434 HydrophobicContact CG2-CD2 4.06Å; I432-Y434 HydrophobicContact CG2-CE1 3.85Å; I432-Y434 HydrophobicContact CG2-CE2 3.7Å; I432-Y434 HydrophobicContact CG2-CG 4.3Å; I432-Y434 WeakPolarHBondContact O-CD2 3.33Å; I432-Y434 PolarHBondContact O-N 3.49Å; Y434-I436 PolarHBondContact O-N 2.89Å
435	N	76.6	Confident	88.3	Confident	155 Å²	155	53.6 Å²	53.6	83%	0.829	29%	0.287	S	S	*	.	S	Bend	trans	62	30.4	-173.2	-135.7	9.4	0	0	0	112.2	D433	D433-N435 WeakPolarHBondContact OD1-CA 3.21Å; D433-N435 PolarHBondContact OD1-N 2.95Å
436	I	69.2	Low	88.4	Confident	117 Å²	117	53.1 Å²	53.1	60%	0.6	28%	0.284	S	S	*	.	S	Bend	trans	-107.4	145.3	178.2	-51.7	172.4	0	0	0	107.1	Y434 M438	Y434-I436 PolarHBondContact O-N 2.89Å; I436-M438 PolarHBondContact O-N 2.86Å
437	S	68.2	Low	88.4	Confident	124 Å²	124	53.3 Å²	53.3	87%	0.867	29%	0.285	S	S	*	.	S	Bend	trans	-61.4	13.2	-168.5	62.8	0	0	0	0	117.5	P439	S437-P439 VanDerWaalsContact O-CD 3.27Å; S437-P439 WeakPolarHBondContact O-CD 3.3Å
438	M	74.2	Confident	88.3	Confident	110 Å²	110	53.4 Å²	53.4	54%	0.542	29%	0.286	S	S	.	.			trans	-97.2	103.1	178.9	-150.5	-178.8	-86.4	0	0	109.4	Y431 I436	Y431-M438 PolarHBondContact OH-O 2.85Å; I436-M438 PolarHBondContact O-N 2.86Å
439	P	83.3	Confident	87.9	Confident	93 Å²	93	56.2 Å²	56.2	60%	0.604	30%	0.303	S	S	*	.			trans	-66.1	149.7	-179.6	28.7	-34.9	0	0	0	110.4	S437 Q441	S437-P439 VanDerWaalsContact O-CD 3.27Å; S437-P439 WeakPolarHBondContact O-CD 3.3Å; P439-Q441 PolarHBondContact O-N 3.23Å
440	A	87.2	Confident	87.5	Confident	36 Å²	36	60 Å²	60	30%	0.298	32%	0.323	S	S	.	.			trans	-58.6	129	174.6	0	0	0	0	0	111.1	Y431	Y431-A440 HydrophobicContact CD1-CB 3.7Å; Y431-A440 HydrophobicContact CD2-CB 4.05Å; Y431-A440 HydrophobicContact CE1-CB 3.8Å; Y431-A440 HydrophobicContact CE2-CB 4.15Å; Y431-A440 HydrophobicContact CG-CB 3.82Å
441	Q	92.7	Very high	86.9	Confident	46 Å²	46	64.1 Å²	64.1	22%	0.215	34%	0.339	C	S	.	.			trans	-107.4	79.2	171.3	-59.2	-176.1	18.5	0	0	107.9	N413 P439 H469	N413-Q441 WeakPolarHBondContact OD1-CA 3.45Å; N413-Q441 PolarHBondContact OD1-N 3.01Å; N413-Q441 PolarHBondContact OD1-O 2.77Å; P439-Q441 PolarHBondContact O-N 3.23Å; Q441-H469 PolarHBondContact O-NE2 3.42Å
442	N	93.4	Very high	86.3	Confident	15 Å²	15	72 Å²	72	8%	0.08	38%	0.377	C	S	.	.			trans	-117.2	14.4	-166.1	63.2	-0.2	0	0	0	113.7	Q402 L411 L412 W444	Q402-N442 PolarHBondContact NE2-ND2 2.69Å; Q402-N442 VanDerWaalsContact NE2-ND2 3.15Å; Q402-N442 PolarHBondContact NE2-OD1 2.9Å; Q402-N442 VanDerWaalsContact NE2-OD1 3.11Å; L411-N442 HydrophobicContact CB-CB 3.97Å; L411-N442 VanDerWaalsContact CD1-ND2 3.28Å; L411-N442 WeakPolarHBondContact CD1-ND2 3.49Å; L412-N442 WeakPolarHBondContact O-CA 3.4Å; N442-W444 VanDerWaalsContact O-CD1 3.29Å
443	L	96.5	Very high	86.1	Confident	50 Å²	50	73.1 Å²	73.1	26%	0.262	39%	0.387	S	S	.	.			trans	-93.7	122.9	-177.9	-61.8	-177.2	0	0	0	110.1	P381 I400 Q402 H469 V470	P381-L443 HydrophobicContact CB-CD2 3.67Å; P381-L443 HydrophobicContact CG-CD2 4.21Å; I400-L443 HydrophobicContact CG2-CB 3.93Å; I400-L443 HydrophobicContact CG2-CD2 4.12Å; I400-L443 HydrophobicContact CG2-CG 4.44Å; Q402-L443 HydrophobicContact CG-CD2 3.96Å; L443-H469 PolarHBondContact O-CD2 3.45Å; L443-H469 VanDerWaalsContact O-CD2 3.29Å; L443-V470 HydrophobicContact CB-CB 4.01Å; L443-V470 HydrophobicContact CB-CG2 3.9Å; L443-V470 WeakPolarHBondContact O-CG2 3.37Å; L443-V470 PolarHBondContact O-N 3.41Å
444	W	96.9	Very high	86	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.7	-179.7	-61	86.7	0	0	0	109.6	I400 V401 L412 T414 N442 F467 V468 H469 L476	I400-W444 CarbonylContact C-O 3.51Å; I400-W444 WeakPolarHBondContact CA-O 3.45Å; V401-W444 HydrophobicContact CG2-CB 4.24Å; V401-W444 WeakPolarHBondContact CG2-O 3.42Å; V401-W444 PolarHBondContact N-O 2.88Å; V401-W444 PolarHBondContact O-N 3.37Å; L412-W444 HydrophobicContact CD2-CZ2 3.92Å; L412-W444 HydrophobicContact CG-CZ2 3.89Å; L412-W444 PolarHBondContact O-NE1 3.31Å; T414-W444 HydrophobicContact CG2-CH2 3.62Å; T414-W444 HydrophobicContact CG2-CZ2 3.94Å; T414-W444 HydrophobicContact CG2-CZ3 4.41Å; N442-W444 VanDerWaalsContact O-CD1 3.29Å; W444-F467 HydrophobicContact CB-CB 4.4Å; W444-F467 HydrophobicContact CB-CD1 4.45Å; W444-F467 HydrophobicContact CD2-CB 4.3Å; W444-F467 HydrophobicContact CE3-CB 3.68Å; W444-F467 HydrophobicContact CZ3-CB 4.33Å; W444-V468 CarbonylContact C-O 3.58Å; W444-H469 HydrophobicContact CE3-CB 3.91Å; W444-H469 HydrophobicContact CH2-CB 4.15Å; W444-H469 HydrophobicContact CZ3-CB 3.71Å; W444-L476 HydrophobicContact CH2-CB 4.49Å; W444-L476 HydrophobicContact CH2-CD1 4.19Å; W444-L476 HydrophobicContact CZ3-CB 4.04Å
445	K	95.9	Very high	86	Confident	101 Å²	101	76.9 Å²	76.9	44%	0.439	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.4	171.1	-175.8	179.7	-178.3	179.5	0	109.3	V468 V470	K445-V468 HydrophobicContact CB-CB 4.38Å; K445-V468 PolarHBondContact N-O 3.46Å; K445-V468 PolarHBondContact O-N 2.87Å; K445-V470 HydrophobicContact CB-CG2 4.24Å
446	L	95.5	Very high	86.5	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	121.6	177.4	-172.1	77.1	0	0	0	110.9	V395 H397 G398 D399 I448 W458 V465 F467	V395-L446 HydrophobicContact CG1-CD2 3.7Å; H397-L446 PolarHBondContact ND1-O 3.26Å; G398-L446 WeakPolarHBondContact CA-O 3.2Å; G398-L446 PolarHBondContact N-O 3.03Å; D399-L446 PolarHBondContact O-N 2.94Å; L446-I448 HydrophobicContact CD2-CD1 4.5Å; L446-I448 HydrophobicContact CD2-CG1 4.24Å; L446-I448 HydrophobicContact CG-CG1 4.48Å; L446-W458 HydrophobicContact CD1-CD2 4Å; L446-W458 HydrophobicContact CD1-CE3 3.92Å; L446-W458 HydrophobicContact CD1-CH2 4.19Å; L446-W458 HydrophobicContact CD1-CZ2 4.23Å; L446-W458 HydrophobicContact CD1-CZ3 4.02Å; L446-W458 HydrophobicContact CD2-CB 3.74Å; L446-W458 HydrophobicContact CD2-CD2 3.69Å; L446-W458 HydrophobicContact CD2-CE3 3.59Å; L446-W458 HydrophobicContact CD2-CG 3.78Å; L446-W458 HydrophobicContact CD2-CZ3 4.4Å; L446-W458 HydrophobicContact CG-CE3 4.42Å; L446-V465 HydrophobicContact CD1-CB 3.81Å; L446-V465 HydrophobicContact CD1-CG1 4.05Å; L446-V465 HydrophobicContact CD1-CG2 4.08Å; L446-F467 HydrophobicContact CD1-CD1 4.07Å; L446-F467 HydrophobicContact CD1-CE1 3.59Å; L446-F467 HydrophobicContact CD1-CZ 4.2Å
447	D	93.8	Very high	87.5	Confident	20 Å²	20	66.8 Å²	66.8	11%	0.107	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114.6	173.1	177.2	38.5	0	0	0	110.5	H397 R451 V465 R466 V468	H397-D447 IonicContact CE1-OD1 2.74Å; H397-D447 PolarHBondContact CE1-OD1 3.32Å; H397-D447 IonicContact ND1-OD1 3.89Å; H397-D447 IonicContact NE2-OD1 3.68Å; D447-R451 IonicContact OD1-CZ 3.14Å; D447-R451 IonicContact OD1-NH1 3.89Å; D447-R451 PolarHBondContact OD1-NH1 2.54Å; D447-V465 CarbonylContact O-C 3.53Å; D447-V465 VanDerWaalsContact O-CA 3.29Å; D447-V465 WeakPolarHBondContact O-CA 3.38Å; D447-R466 HydrophobicContact CB-CB 4.25Å; D447-R466 PolarHBondContact N-O 3.22Å; D447-R466 PolarHBondContact O-N 3.36Å; D447-R466 IonicContact OD2-CZ 2.9Å; D447-R466 IonicContact OD2-NE 2.91Å; D447-R466 PolarHBondContact OD2-NE 2.88Å; D447-R466 IonicContact OD2-NH2 3.76Å; D447-R466 PolarHBondContact OD2-NH2 3.23Å; D447-V468 HydrophobicContact CB-CG2 4.24Å
448	I	93	Very high	88.7	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111.5	-179.7	-55.1	-179.9	0	0	0	107.4	H397 L446 R451 W458 E464 V465	H397-I448 HydrophobicContact CB-CB 4.45Å; H397-I448 HydrophobicContact CB-CD1 4.03Å; H397-I448 HydrophobicContact CB-CG1 4.13Å; H397-I448 PolarHBondContact ND1-N 3.15Å; L446-I448 HydrophobicContact CD2-CD1 4.5Å; L446-I448 HydrophobicContact CD2-CG1 4.24Å; L446-I448 HydrophobicContact CG-CG1 4.48Å; I448-R451 HydrophobicContact CB-CB 4.3Å; I448-R451 HydrophobicContact CG2-CB 4.1Å; I448-R451 WeakPolarHBondContact O-CD 3.4Å; I448-R451 WeakPolarHBondContact O-CG 3.34Å; I448-R451 PolarHBondContact O-NH1 3.19Å; I448-W458 HydrophobicContact CD1-CB 4.33Å; I448-E464 CarbonylContact C-O 3.55Å; I448-V465 HydrophobicContact CG1-CG1 4.05Å
449	V	89.1	Confident	89.3	Confident	60 Å²	60	59 Å²	59	36%	0.364	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-47.9	-171.8	-177.8	0	0	0	0	111.1	R451 E464 R466 V507	V449-R451 PolarHBondContact O-N 3.07Å; V449-E464 HydrophobicContact CB-CB 4.35Å; V449-E464 PolarHBondContact N-O 3.15Å; V449-R466 HydrophobicContact CG2-CG 3.63Å; V449-V507 HydrophobicContact CG2-CG2 4.4Å
450	N	86.6	Confident	89.5	Confident	78 Å²	78	54.6 Å²	54.6	42%	0.417	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	38.8	-176.3	68.1	-26.1	0	0	0	113.2	L462 E464	N450-L462 PolarHBondContact ND2-O 3.34Å; N450-E464 HydrophobicContact CB-CB 4.42Å; N450-E464 PolarHBondContact OD1-N 2.89Å
451	R	84.1	Confident	89.3	Confident	88 Å²	88	53.6 Å²	53.6	33%	0.332	27%	0.265	S	S	.	.			trans	-81	141.6	178.5	67.2	-177.7	179.7	-95.6	8.2	111.8	H397 D447 I448 V449 D456	H397-R451 PolarHBondContact CE1-NH1 2.91Å; H397-R451 VanDerWaalsContact CE1-NH1 3.28Å; H397-R451 PolarHBondContact NE2-NH1 3.42Å; H397-R451 PolarHBondContact NE2-NH2 3.22Å; D447-R451 IonicContact OD1-CZ 3.14Å; D447-R451 IonicContact OD1-NH1 3.89Å; D447-R451 PolarHBondContact OD1-NH1 2.54Å; I448-R451 HydrophobicContact CB-CB 4.3Å; I448-R451 HydrophobicContact CG2-CB 4.1Å; I448-R451 WeakPolarHBondContact O-CD 3.4Å; I448-R451 WeakPolarHBondContact O-CG 3.34Å; I448-R451 PolarHBondContact O-NH1 3.19Å; V449-R451 PolarHBondContact O-N 3.07Å; R451-D456 WeakPolarHBondContact CA-OD2 3.45Å; R451-D456 HydrophobicContact CB-CB 4.27Å
452	E	80.9	Confident	88.8	Confident	196 Å²	196	55 Å²	55	92%	0.916	27%	0.274	S	S	*	.	S	Bend	trans	-92.1	-34.7	167.9	-67.2	-176.7	177.8	0	0	110.6	D456	E452-D456 PolarHBondContact N-OD2 3.17Å
453	S	84.8	Confident	88.5	Confident	49 Å²	49	54.7 Å²	54.7	34%	0.343	27%	0.273	S	S	.	.	S	Bend	trans	-129.5	153.7	-179.4	93.3	0	0	0	0	112.1	Q455 D456	S453-Q455 PolarHBondContact O-N 2.99Å; S453-Q455 PolarHBondContact OG-N 3.19Å; S453-D456 WeakPolarHBondContact CB-OD1 3.48Å; S453-D456 PolarHBondContact N-OD2 3.38Å; S453-D456 VanDerWaalsContact N-OD2 3.09Å; S453-D456 WeakPolarHBondContact O-CB 3.38Å; S453-D456 PolarHBondContact O-N 3.14Å; S453-D456 PolarHBondContact OG-N 2.98Å; S453-D456 PolarHBondContact OG-OD1 3.42Å
454	N	82.1	Confident	88.2	Confident	123 Å²	123	55.8 Å²	55.8	66%	0.658	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.5	173.6	-71.5	-25	0	0	0	113.2
455	Q	82.7	Confident	88.1	Confident	152 Å²	152	55.8 Å²	55.8	71%	0.71	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	1.6	176	-63.2	-169.4	-4.8	0	0	112.7	S453 T457	S453-Q455 PolarHBondContact O-N 2.99Å; S453-Q455 PolarHBondContact OG-N 3.19Å; Q455-T457 PolarHBondContact O-N 3.5Å
456	D	86.1	Confident	88	Confident	41 Å²	41	53 Å²	53	22%	0.219	26%	0.263	C	S	.	.			trans	-62.6	134.6	-176	-70.5	-3.5	0	0	0	111.6	H397 R451 E452 S453	H397-D456 PolarHBondContact N-O 3.18Å; R451-D456 WeakPolarHBondContact CA-OD2 3.45Å; R451-D456 HydrophobicContact CB-CB 4.27Å; E452-D456 PolarHBondContact N-OD2 3.17Å; S453-D456 WeakPolarHBondContact CB-OD1 3.48Å; S453-D456 PolarHBondContact N-OD2 3.38Å; S453-D456 VanDerWaalsContact N-OD2 3.09Å; S453-D456 WeakPolarHBondContact O-CB 3.38Å; S453-D456 PolarHBondContact O-N 3.14Å; S453-D456 PolarHBondContact OG-N 2.98Å; S453-D456 PolarHBondContact OG-OD1 3.42Å
457	T	90.7	Very high	88	Confident	18 Å²	18	53 Å²	53	11%	0.11	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-86.2	149.1	176.3	52.5	0	0	0	0	110.5	E320 P394 R396 Q455 K459	E320-T457 PolarHBondContact OE1-OG1 3.47Å; P394-T457 HydrophobicContact CB-CG2 3.94Å; P394-T457 HydrophobicContact CG-CG2 4.14Å; R396-T457 HydrophobicContact CG-CG2 4.16Å; Q455-T457 PolarHBondContact O-N 3.5Å; T457-K459 PolarHBondContact O-N 3.42Å
458	W	92.6	Very high	88.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.267	C	S	.	.			trans	-70.3	112.3	175.1	-172	10.7	0	0	0	110.1	V321 L329 V378 V395 L446 I448 V465 F467 V510	V321-W458 HydrophobicContact CB-CB 4.26Å; V321-W458 HydrophobicContact CB-CD2 3.96Å; V321-W458 HydrophobicContact CB-CE3 3.99Å; V321-W458 HydrophobicContact CB-CG 4.09Å; V321-W458 HydrophobicContact CG1-CD2 4.06Å; V321-W458 HydrophobicContact CG1-CE3 3.65Å; V321-W458 HydrophobicContact CG1-CH2 4.5Å; V321-W458 HydrophobicContact CG1-CZ3 3.9Å; V321-W458 HydrophobicContact CG2-CD2 4.14Å; V321-W458 HydrophobicContact CG2-CG 4.19Å; V321-W458 PolarHBondContact N-O 3.36Å; L329-W458 HydrophobicContact CD2-CH2 4.24Å; L329-W458 HydrophobicContact CD2-CZ2 3.91Å; V378-W458 HydrophobicContact CG1-CZ3 4Å; V378-W458 HydrophobicContact CG2-CH2 4.1Å; V378-W458 HydrophobicContact CG2-CZ3 3.8Å; V395-W458 HydrophobicContact CB-CB 4.39Å; V395-W458 HydrophobicContact CB-CE3 4.14Å; V395-W458 HydrophobicContact CG1-CE3 4.15Å; V395-W458 WeakPolarHBondContact O-CB 3.29Å; V395-W458 PolarHBondContact O-N 2.82Å; L446-W458 HydrophobicContact CD1-CD2 4Å; L446-W458 HydrophobicContact CD1-CE3 3.92Å; L446-W458 HydrophobicContact CD1-CH2 4.19Å; L446-W458 HydrophobicContact CD1-CZ2 4.23Å; L446-W458 HydrophobicContact CD1-CZ3 4.02Å; L446-W458 HydrophobicContact CD2-CB 3.74Å; L446-W458 HydrophobicContact CD2-CD2 3.69Å; L446-W458 HydrophobicContact CD2-CE3 3.59Å; L446-W458 HydrophobicContact CD2-CG 3.78Å; L446-W458 HydrophobicContact CD2-CZ3 4.4Å; L446-W458 HydrophobicContact CG-CE3 4.42Å; I448-W458 HydrophobicContact CD1-CB 4.33Å; W458-V465 HydrophobicContact CD2-CG1 4.49Å; W458-V465 HydrophobicContact CG-CG1 4.22Å; W458-V465 HydrophobicContact CZ2-CG2 3.81Å; W458-V465 VanDerWaalsContact NE1-CG1 3.33Å; W458-F467 AromaticContact CH2-CE1 3.72Å; W458-F467 HydrophobicContact CH2-CE1 3.72Å; W458-F467 AromaticContact CH2-CZ 3.49Å; W458-F467 HydrophobicContact CH2-CZ 3.49Å; W458-F467 VanDerWaalsContact CH2-CZ 3.49Å; W458-F467 HydrophobicContact CZ2-CE1 4.26Å; W458-F467 AromaticContact CZ2-CZ 3.7Å; W458-F467 HydrophobicContact CZ2-CZ 3.7Å; W458-F467 HydrophobicContact CZ3-CE1 4.29Å; W458-F467 HydrophobicContact CZ3-CZ 4.47Å; W458-V510 HydrophobicContact CH2-CG2 4.16Å; W458-V510 HydrophobicContact CZ2-CG2 3.31Å
459	K	88	Confident	88.2	Confident	71 Å²	71	53.3 Å²	53.3	31%	0.309	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-106.3	140.3	-178.1	-66.5	168.4	-173.9	171.1	0	111	L319 T457 L462 S463	L319-K459 HydrophobicContact CD2-CD 4.49Å; L319-K459 CarbonylContact O-C 3.59Å; L319-K459 VanDerWaalsContact O-CA 3.29Å; L319-K459 WeakPolarHBondContact O-CA 3.38Å; T457-K459 PolarHBondContact O-N 3.42Å; K459-L462 HydrophobicContact CB-CB 4.41Å; K459-S463 PolarHBondContact N-OG 2.8Å; K459-S463 VanDerWaalsContact O-CB 3.27Å; K459-S463 WeakPolarHBondContact O-CB 3.45Å; K459-S463 PolarHBondContact O-N 3.4Å; K459-S463 PolarHBondContact O-OG 2.84Å
460	T	87.3	Confident	88.5	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	144.6	172.5	55.7	0	0	0	0	110.6	P318 L319 V321 L462 V510 H513 R538	P318-T460 WeakPolarHBondContact O-CG2 3.38Å; P318-T460 PolarHBondContact O-OG1 3.43Å; L319-T460 PolarHBondContact O-N 3.25Å; L319-T460 PolarHBondContact O-OG1 2.86Å; V321-T460 HydrophobicContact CG2-CG2 3.91Å; T460-L462 PolarHBondContact O-N 3.47Å; T460-V510 HydrophobicContact CG2-CG1 3.89Å; T460-H513 HydrophobicContact CG2-CB 3.36Å; T460-H513 WeakPolarHBondContact CG2-ND1 3.46Å; T460-R538 PolarHBondContact O-NH1 3.3Å; T460-R538 PolarHBondContact O-NH2 3.36Å; T460-R538 PolarHBondContact OG1-NH1 2.86Å; T460-R538 PolarHBondContact OG1-NH2 3.11Å
461	I	82.4	Confident	88.8	Confident	14 Å²	14	54.6 Å²	54.6	7%	0.072	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	-39.5	176.6	-58.1	171.4	0	0	0	116.2	A301 A304 T314 V510	A301-I461 HydrophobicContact CB-CG2 3.59Å; A304-I461 HydrophobicContact CB-CD1 3.88Å; T314-I461 HydrophobicContact CG2-CD1 4.21Å; I461-V510 WeakPolarHBondContact CA-O 3.42Å; I461-V510 PolarHBondContact N-O 3.47Å
462	L	82.1	Confident	89.1	Confident	76 Å²	76	51.4 Å²	51.4	40%	0.398	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-41.2	-174.3	-64.5	176.9	0	0	0	112.1	N450 K459 T460 E464	N450-L462 PolarHBondContact ND2-O 3.34Å; K459-L462 HydrophobicContact CB-CB 4.41Å; T460-L462 PolarHBondContact O-N 3.47Å; L462-E464 PolarHBondContact O-N 2.77Å
463	S	87.6	Confident	89.6	Confident	8 Å²	8	45.4 Å²	45.4	6%	0.056	24%	0.244	C	C	.	.			trans	-80.3	125.7	-177.7	-64.2	0	0	0	0	110.6	K459	K459-S463 PolarHBondContact N-OG 2.8Å; K459-S463 VanDerWaalsContact O-CB 3.27Å; K459-S463 WeakPolarHBondContact O-CB 3.45Å; K459-S463 PolarHBondContact O-N 3.4Å; K459-S463 PolarHBondContact O-OG 2.84Å
464	E	90.5	Very high	90	Very high	74 Å²	74	43.1 Å²	43.1	35%	0.346	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.7	167.4	-76	-177	-174.5	0	0	108.1	V332 I448 V449 N450 L462 V507	V332-E464 HydrophobicContact CG2-CG 4.37Å; I448-E464 CarbonylContact C-O 3.55Å; V449-E464 HydrophobicContact CB-CB 4.35Å; V449-E464 PolarHBondContact N-O 3.15Å; N450-E464 HydrophobicContact CB-CB 4.42Å; N450-E464 PolarHBondContact OD1-N 2.89Å; L462-E464 PolarHBondContact O-N 2.77Å; E464-V507 HydrophobicContact CB-CG1 3.54Å; E464-V507 HydrophobicContact CG-CG1 3.97Å
465	V	94	Very high	90.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.5	-172.1	-58.4	0	0	0	0	112.7	L446 D447 I448 W458 F467 W508	L446-V465 HydrophobicContact CD1-CB 3.81Å; L446-V465 HydrophobicContact CD1-CG1 4.05Å; L446-V465 HydrophobicContact CD1-CG2 4.08Å; D447-V465 CarbonylContact O-C 3.53Å; D447-V465 VanDerWaalsContact O-CA 3.29Å; D447-V465 WeakPolarHBondContact O-CA 3.38Å; I448-V465 HydrophobicContact CG1-CG1 4.05Å; W458-V465 HydrophobicContact CD2-CG1 4.49Å; W458-V465 HydrophobicContact CG-CG1 4.22Å; W458-V465 HydrophobicContact CZ2-CG2 3.81Å; W458-V465 VanDerWaalsContact NE1-CG1 3.33Å; V465-F467 HydrophobicContact CG2-CE2 4.06Å; V465-F467 HydrophobicContact CG2-CZ 4Å; V465-W508 HydrophobicContact CG2-CB 4.38Å; V465-W508 WeakPolarHBondContact CG2-O 3.32Å; V465-W508 PolarHBondContact N-O 3.4Å; V465-W508 PolarHBondContact O-N 2.81Å
466	R	93.8	Very high	91.1	Very high	41 Å²	41	30 Å²	30	16%	0.155	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.3	169.6	-61.5	-174.2	-69.8	-174.4	-8.9	108.8	D447 V449 I475 M506 V507	D447-R466 HydrophobicContact CB-CB 4.25Å; D447-R466 PolarHBondContact N-O 3.22Å; D447-R466 PolarHBondContact O-N 3.36Å; D447-R466 IonicContact OD2-CZ 2.9Å; D447-R466 IonicContact OD2-NE 2.91Å; D447-R466 PolarHBondContact OD2-NE 2.88Å; D447-R466 IonicContact OD2-NH2 3.76Å; D447-R466 PolarHBondContact OD2-NH2 3.23Å; V449-R466 HydrophobicContact CG2-CG 3.63Å; R466-I475 HydrophobicContact CB-CG2 4.04Å; R466-I475 HydrophobicContact CG-CG2 4.47Å; R466-M506 WeakPolarHBondContact CG-O 3.36Å; R466-V507 HydrophobicContact CG-CG2 4.42Å
467	F	95.6	Very high	91.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	108.7	171.7	-62	-76.5	0	0	0	108.4	L329 V401 L403 W444 L446 W458 V465 I475 L476 W508	L329-F467 HydrophobicContact CD1-CE2 3.75Å; L329-F467 HydrophobicContact CD1-CZ 3.85Å; L329-F467 HydrophobicContact CD2-CE2 3.96Å; L329-F467 HydrophobicContact CD2-CZ 3.85Å; L329-F467 HydrophobicContact CG-CE2 4.47Å; V401-F467 HydrophobicContact CG2-CE1 4.47Å; L403-F467 HydrophobicContact CD1-CD1 3.96Å; L403-F467 HydrophobicContact CD1-CD2 4.44Å; L403-F467 HydrophobicContact CD1-CE1 3.87Å; L403-F467 HydrophobicContact CD1-CE2 4.36Å; L403-F467 HydrophobicContact CD1-CG 4.24Å; L403-F467 HydrophobicContact CD1-CZ 4.07Å; L403-F467 HydrophobicContact CD2-CE1 4.37Å; L403-F467 HydrophobicContact CG-CE1 4.48Å; W444-F467 HydrophobicContact CB-CB 4.4Å; W444-F467 HydrophobicContact CB-CD1 4.45Å; W444-F467 HydrophobicContact CD2-CB 4.3Å; W444-F467 HydrophobicContact CE3-CB 3.68Å; W444-F467 HydrophobicContact CZ3-CB 4.33Å; L446-F467 HydrophobicContact CD1-CD1 4.07Å; L446-F467 HydrophobicContact CD1-CE1 3.59Å; L446-F467 HydrophobicContact CD1-CZ 4.2Å; W458-F467 AromaticContact CH2-CE1 3.72Å; W458-F467 HydrophobicContact CH2-CE1 3.72Å; W458-F467 AromaticContact CH2-CZ 3.49Å; W458-F467 HydrophobicContact CH2-CZ 3.49Å; W458-F467 VanDerWaalsContact CH2-CZ 3.49Å; W458-F467 HydrophobicContact CZ2-CE1 4.26Å; W458-F467 AromaticContact CZ2-CZ 3.7Å; W458-F467 HydrophobicContact CZ2-CZ 3.7Å; W458-F467 HydrophobicContact CZ3-CE1 4.29Å; W458-F467 HydrophobicContact CZ3-CZ 4.47Å; V465-F467 HydrophobicContact CG2-CE2 4.06Å; V465-F467 HydrophobicContact CG2-CZ 4Å; F467-I475 WeakPolarHBondContact O-CA 3.12Å; F467-L476 HydrophobicContact CB-CB 4.07Å; F467-L476 HydrophobicContact CD2-CD2 3.98Å; F467-L476 PolarHBondContact O-N 2.9Å; F467-W508 HydrophobicContact CD2-CG 4.43Å; F467-W508 HydrophobicContact CE2-CB 4.16Å; F467-W508 HydrophobicContact CE2-CG 4.34Å
468	V	94.9	Very high	91.4	Very high	30 Å²	30	29.3 Å²	29.3	18%	0.182	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114.7	178.7	-172.4	0	0	0	0	108.5	W444 K445 D447 V470 I475	W444-V468 CarbonylContact C-O 3.58Å; K445-V468 HydrophobicContact CB-CB 4.38Å; K445-V468 PolarHBondContact N-O 3.46Å; K445-V468 PolarHBondContact O-N 2.87Å; D447-V468 HydrophobicContact CB-CG2 4.24Å; V468-V470 PolarHBondContact O-N 2.94Å; V468-I475 HydrophobicContact CG2-CG1 4.33Å
469	H	95.9	Very high	91.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	127	177.1	-174.3	-128.5	0	0	0	110.7	T414 Q441 L443 W444 T472 S473 A474	T414-H469 HydrophobicContact CG2-CB 3.67Å; T414-H469 WeakPolarHBondContact CG2-ND1 3.35Å; T414-H469 PolarHBondContact O-CE1 3.24Å; Q441-H469 PolarHBondContact O-NE2 3.42Å; L443-H469 PolarHBondContact O-CD2 3.45Å; L443-H469 VanDerWaalsContact O-CD2 3.29Å; W444-H469 HydrophobicContact CE3-CB 3.91Å; W444-H469 HydrophobicContact CH2-CB 4.15Å; W444-H469 HydrophobicContact CZ3-CB 3.71Å; H469-T472 PolarHBondContact ND1-N 3.04Å; H469-T472 PolarHBondContact ND1-OG1 2.96Å; H469-S473 WeakPolarHBondContact O-CA 3.37Å; H469-S473 PolarHBondContact O-N 2.93Å; H469-A474 VanDerWaalsContact CB-O 3.3Å; H469-A474 WeakPolarHBondContact CB-O 3.49Å; H469-A474 PolarHBondContact N-O 3.47Å
470	V	94.6	Very high	91	Very high	68 Å²	68	29.8 Å²	29.8	41%	0.412	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-41.3	-171.7	174.7	0	0	0	0	111.7	I400 L443 K445 V468	I400-V470 HydrophobicContact CD1-CG2 4.4Å; I400-V470 HydrophobicContact CG1-CG2 4.42Å; I400-V470 HydrophobicContact CG2-CG2 4.21Å; L443-V470 HydrophobicContact CB-CB 4.01Å; L443-V470 HydrophobicContact CB-CG2 3.9Å; L443-V470 WeakPolarHBondContact O-CG2 3.37Å; L443-V470 PolarHBondContact O-N 3.41Å; K445-V470 HydrophobicContact CB-CG2 4.24Å; V468-V470 PolarHBondContact O-N 2.94Å
471	N	93	Very high	91.1	Very high	96 Å²	96	31.3 Å²	31.3	51%	0.513	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-40.4	-173.4	-68.2	55.5	0	0	0	112.9
472	T	91.7	Very high	91.5	Very high	21 Å²	21	36 Å²	36	13%	0.129	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-6.5	-174.4	66.4	0	0	0	0	113.9	Q426 H469 A474 K497	Q426-T472 VanDerWaalsContact OE1-CB 3.24Å; Q426-T472 PolarHBondContact OE1-OG1 3.21Å; H469-T472 PolarHBondContact ND1-N 3.04Å; H469-T472 PolarHBondContact ND1-OG1 2.96Å; T472-A474 PolarHBondContact O-N 3.32Å; T472-A474 VanDerWaalsContact O-N 3.14Å; T472-A474 WeakPolarHBondContact OG1-CB 3.35Å; T472-A474 PolarHBondContact OG1-N 2.78Å; T472-K497 WeakPolarHBondContact O-CE 3.46Å
473	S	91.8	Very high	92	Very high	71 Å²	71	32.5 Å²	32.5	50%	0.497	19%	0.191	S	C	.	.			trans	57.8	13.7	-171.3	67.4	0	0	0	0	115.1	H469	H469-S473 WeakPolarHBondContact O-CA 3.37Å; H469-S473 PolarHBondContact O-N 2.93Å
474	A	92.4	Very high	92.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	143	175.9	0	0	0	0	0	111	H469 T472 E496	H469-A474 VanDerWaalsContact CB-O 3.3Å; H469-A474 WeakPolarHBondContact CB-O 3.49Å; H469-A474 PolarHBondContact N-O 3.47Å; T472-A474 PolarHBondContact O-N 3.32Å; T472-A474 VanDerWaalsContact O-N 3.14Å; T472-A474 WeakPolarHBondContact OG1-CB 3.35Å; T472-A474 PolarHBondContact OG1-N 2.78Å; A474-E496 CarbonylContact C-O 3.59Å
475	I	93.7	Very high	92.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137.2	176.2	-53.3	170.4	0	0	0	109	R466 F467 V468 K477 G495 E496 L498 M506	R466-I475 HydrophobicContact CB-CG2 4.04Å; R466-I475 HydrophobicContact CG-CG2 4.47Å; F467-I475 WeakPolarHBondContact O-CA 3.12Å; V468-I475 HydrophobicContact CG2-CG1 4.33Å; I475-K477 PolarHBondContact O-N 3.31Å; I475-G495 WeakPolarHBondContact O-CA 3.24Å; I475-E496 PolarHBondContact N-O 3.16Å; I475-E496 PolarHBondContact O-N 3.11Å; I475-L498 HydrophobicContact CD1-CB 4.13Å; I475-L498 HydrophobicContact CD1-CD1 3.3Å; I475-L498 HydrophobicContact CD1-CG 3.65Å; I475-L498 HydrophobicContact CG1-CD1 4.27Å; I475-M506 HydrophobicContact CD1-SD 3.95Å; I475-M506 HydrophobicContact CG2-CB 3.95Å; I475-M506 HydrophobicContact CG2-CG 4.41Å
476	L	94.7	Very high	92.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	117.3	172.2	-169.6	71	0	0	0	110.8	L341 L412 V428 W444 F467 V493 W508	L341-L476 HydrophobicContact CD1-CD2 4.38Å; L341-L476 HydrophobicContact CD2-CD2 4.23Å; L412-L476 HydrophobicContact CD2-CD1 4.5Å; L412-L476 HydrophobicContact CD2-CD2 4.22Å; V428-L476 HydrophobicContact CB-CD1 4.41Å; V428-L476 HydrophobicContact CG1-CD1 3.79Å; V428-L476 HydrophobicContact CG2-CD1 3.92Å; W444-L476 HydrophobicContact CH2-CB 4.49Å; W444-L476 HydrophobicContact CH2-CD1 4.19Å; W444-L476 HydrophobicContact CZ3-CB 4.04Å; F467-L476 HydrophobicContact CB-CB 4.07Å; F467-L476 HydrophobicContact CD2-CD2 3.98Å; F467-L476 PolarHBondContact O-N 2.9Å; L476-V493 HydrophobicContact CD1-CG1 3.48Å; L476-V493 VanDerWaalsContact CD1-CG1 3.48Å; L476-V493 HydrophobicContact CG-CG1 4.11Å; L476-W508 HydrophobicContact CD2-CZ2 4.08Å; L476-W508 HydrophobicContact CG-CZ2 4.03Å; L476-W508 PolarHBondContact O-NE1 2.57Å
477	K	91.3	Very high	92.3	Very high	33 Å²	33	36 Å²	36	14%	0.143	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147	-173.3	177.7	-173.7	172.6	-166.4	0	111.7	I475 V494 E496 S505 M506	I475-K477 PolarHBondContact O-N 3.31Å; K477-V494 HydrophobicContact CB-CG2 4.21Å; K477-V494 PolarHBondContact N-O 2.85Å; K477-V494 PolarHBondContact O-N 3.3Å; K477-E496 HydrophobicContact CD-CB 4.15Å; K477-E496 WeakPolarHBondContact CD-OE2 3.33Å; K477-E496 VanDerWaalsContact CE-OE2 3.28Å; K477-E496 WeakPolarHBondContact CE-OE2 3.42Å; K477-E496 IonicContact NZ-OE1 3.62Å; K477-E496 IonicContact NZ-OE2 2.62Å; K477-E496 PolarHBondContact NZ-OE2 3.31Å; K477-S505 WeakPolarHBondContact CA-O 3.34Å; K477-S505 VanDerWaalsContact CE-OG 3.28Å; K477-S505 WeakPolarHBondContact CE-OG 3.49Å; K477-M506 HydrophobicContact CB-CG 4.12Å; K477-M506 HydrophobicContact CD-CE 4.12Å; K477-M506 HydrophobicContact CD-CG 4.22Å; K477-M506 HydrophobicContact CG-CG 4.05Å
478	L	90.5	Very high	92.2	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.063	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.8	163.5	-165.1	90.5	0	0	0	110.6	C339 C366 L491 S505	C339-L478 HydrophobicContact CB-CD1 4.48Å; C366-L478 HydrophobicContact CB-CD1 3.46Å; C366-L478 VanDerWaalsContact CB-CD1 3.46Å; C366-L478 WeakPolarHBondContact SG-CD1 3.36Å; L478-L491 HydrophobicContact CD1-CB 4.06Å; L478-L491 HydrophobicContact CD2-CD1 4.48Å; L478-S505 PolarHBondContact N-O 2.85Å
479	S	88.2	Confident	92.1	Very high	36 Å²	36	48 Å²	48	25%	0.252	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-35.6	177.2	158.2	0	0	0	0	112.2	S422 A481 E492	S422-S479 PolarHBondContact OG-OG 3.04Å; S422-S479 VanDerWaalsContact OG-OG 3.04Å; S479-A481 VanDerWaalsContact C-N 3.31Å; S479-E492 WeakPolarHBondContact CB-OE2 3.35Å; S479-E492 PolarHBondContact N-O 2.66Å; S479-E492 PolarHBondContact OG-OE2 3.21Å
480	G	85	Confident	92	Very high	45 Å²	45	48.7 Å²	48.7	46%	0.464	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.1	-11.1	-174.1	0	0	0	0	0	113.6
481	A	88.5	Confident	91.9	Very high	33 Å²	33	46.2 Å²	46.2	27%	0.273	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	143.9	174.4	0	0	0	0	0	112.2	L421 S479 E492	L421-A481 HydrophobicContact CB-CB 4.34Å; L421-A481 HydrophobicContact CD1-CB 3.67Å; S479-A481 VanDerWaalsContact C-N 3.31Å; A481-E492 PolarHBondContact O-N 3.25Å
482	H	90.8	Very high	92	Very high	111 Å²	111	41.7 Å²	41.7	51%	0.514	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.6	172.6	-71	-90.3	0	0	0	110.5	L421 R489	L421-H482 WeakPolarHBondContact CD1-O 3.34Å; H482-R489 PolarHBondContact ND1-O 2.94Å
483	L	93	Very high	92.1	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-62	153.6	174.2	-66.5	176.8	0	0	0	111.2	T365 P420 L421 W486 R489 Q490 E492	T365-L483 HydrophobicContact CG2-CD1 3.61Å; P420-L483 HydrophobicContact CB-CD2 4.38Å; P420-L483 HydrophobicContact CG-CD2 3.77Å; L421-L483 HydrophobicContact CD1-CD2 4.09Å; L421-L483 HydrophobicContact CG-CD2 4.31Å; L483-W486 HydrophobicContact CB-CH2 4.46Å; L483-W486 HydrophobicContact CD1-CH2 4.2Å; L483-W486 HydrophobicContact CD1-CZ3 4.11Å; L483-W486 HydrophobicContact CD2-CH2 3.69Å; L483-W486 HydrophobicContact CD2-CZ2 4.23Å; L483-W486 HydrophobicContact CD2-CZ3 4.42Å; L483-W486 HydrophobicContact CG-CH2 4.34Å; L483-R489 VanDerWaalsContact O-CA 3.25Å; L483-R489 WeakPolarHBondContact O-CA 3.36Å; L483-Q490 WeakPolarHBondContact CB-O 3.29Å; L483-Q490 PolarHBondContact N-O 3.26Å; L483-E492 HydrophobicContact CD2-CB 3.87Å; L483-E492 HydrophobicContact CD2-CG 4.03Å; L483-E492 HydrophobicContact CG-CB 4.23Å
484	P	93.3	Very high	92.3	Very high	27 Å²	27	37.4 Å²	37.4	18%	0.175	19%	0.191	C	C	.	.			trans	-64.3	-176.6	173.3	-20.9	33.4	0	0	0	112.7	L421 W486 G487 F488 R489	L421-P484 HydrophobicContact CD2-CG 4.46Å; P484-W486 HydrophobicContact CG-CZ2 4.25Å; P484-W486 PolarHBondContact O-N 3.01Å; P484-W486 VanDerWaalsContact O-N 3.1Å; P484-G487 CarbonylContact O-C 3.46Å; P484-G487 WeakPolarHBondContact O-CA 3.47Å; P484-G487 PolarHBondContact O-N 3.46Å; P484-F488 PolarHBondContact O-N 2.85Å; P484-R489 PolarHBondContact O-N 3.12Å
485	D	93.5	Very high	92.3	Very high	109 Å²	109	37.5 Å²	37.5	58%	0.583	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-57.7	-30.3	-175.4	-67.7	-28.6	0	0	0	113.4	G487 F488 R489	D485-G487 PolarHBondContact O-N 3Å; D485-F488 PolarHBondContact O-N 2.99Å; D485-R489 IonicContact OD1-CZ 3.4Å; D485-R489 IonicContact OD1-NE 2.89Å; D485-R489 PolarHBondContact OD1-NE 2.92Å; D485-R489 IonicContact OD1-NH2 2.99Å; D485-R489 PolarHBondContact OD1-NH2 2.7Å
486	W	93.1	Very high	92.2	Very high	59 Å²	59	38.6 Å²	38.6	22%	0.223	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-65.2	-20.7	175	60.8	-106.9	0	0	0	114.1	Y348 P349 Y352 Q363 P420 L483 P484	Y348-W486 AromaticContact CD1-CH2 3.68Å; Y348-W486 HydrophobicContact CD1-CH2 3.68Å; Y348-W486 AromaticContact CD1-CZ3 3.5Å; Y348-W486 HydrophobicContact CD1-CZ3 3.5Å; Y348-W486 AromaticContact CE1-CH2 3.82Å; Y348-W486 HydrophobicContact CE1-CH2 3.82Å; Y348-W486 AromaticContact CE1-CZ3 3.71Å; Y348-W486 HydrophobicContact CE1-CZ3 3.71Å; P349-W486 HydrophobicContact CG-CD2 4.02Å; P349-W486 HydrophobicContact CG-CE3 4.47Å; P349-W486 HydrophobicContact CG-CG 4.26Å; P349-W486 HydrophobicContact CG-CZ2 4.47Å; Y352-W486 HydrophobicContact CD1-CZ2 4.43Å; Q363-W486 PolarHBondContact NE2-O 3.15Å; Q363-W486 VanDerWaalsContact NE2-O 3.15Å; P420-W486 HydrophobicContact CB-CH2 3.88Å; P420-W486 HydrophobicContact CB-CZ2 3.89Å; P420-W486 HydrophobicContact CG-CH2 4.01Å; P420-W486 HydrophobicContact CG-CZ2 4.49Å; L483-W486 HydrophobicContact CB-CH2 4.46Å; L483-W486 HydrophobicContact CD1-CH2 4.2Å; L483-W486 HydrophobicContact CD1-CZ3 4.11Å; L483-W486 HydrophobicContact CD2-CH2 3.69Å; L483-W486 HydrophobicContact CD2-CZ2 4.23Å; L483-W486 HydrophobicContact CD2-CZ3 4.42Å; L483-W486 HydrophobicContact CG-CH2 4.34Å; P484-W486 HydrophobicContact CG-CZ2 4.25Å; P484-W486 PolarHBondContact O-N 3.01Å; P484-W486 VanDerWaalsContact O-N 3.1Å
487	G	92.7	Very high	91.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-106.4	18.1	175	0	0	0	0	0	112.4	P484 D485 R489 Q490	P484-G487 CarbonylContact O-C 3.46Å; P484-G487 WeakPolarHBondContact O-CA 3.47Å; P484-G487 PolarHBondContact O-N 3.46Å; D485-G487 PolarHBondContact O-N 3Å; G487-R489 PolarHBondContact O-N 2.63Å; G487-R489 VanDerWaalsContact O-N 3.08Å; G487-Q490 WeakPolarHBondContact O-CB 3.23Å; G487-Q490 WeakPolarHBondContact O-CG 3.32Å; G487-Q490 PolarHBondContact O-N 2.97Å; G487-Q490 VanDerWaalsContact O-N 3.09Å
488	F	94.3	Very high	90.9	Very high	117 Å²	117	46.6 Å²	46.6	51%	0.513	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	27.3	177.4	-50.1	-76.8	0	0	0	114.6	H344 N346 P484 D485 Q490	H344-F488 AromaticContact CD2-CE2 3.82Å; H344-F488 AromaticContact NE2-CD2 3.8Å; H344-F488 AromaticContact NE2-CE2 3.57Å; N346-F488 HydrophobicContact CB-CE2 4.48Å; P484-F488 PolarHBondContact O-N 2.85Å; D485-F488 PolarHBondContact O-N 2.99Å; F488-Q490 HydrophobicContact CB-CG 4.16Å; F488-Q490 PolarHBondContact O-N 3.47Å; F488-Q490 VanDerWaalsContact O-N 3.12Å
489	R	92.3	Very high	89.5	Confident	166 Å²	166	51.1 Å²	51.1	63%	0.626	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	21.2	-176.7	-54.6	-178.1	-174.9	-174.7	-1	114.8	H482 L483 P484 D485 G487	H482-R489 PolarHBondContact ND1-O 2.94Å; L483-R489 VanDerWaalsContact O-CA 3.25Å; L483-R489 WeakPolarHBondContact O-CA 3.36Å; P484-R489 PolarHBondContact O-N 3.12Å; D485-R489 IonicContact OD1-CZ 3.4Å; D485-R489 IonicContact OD1-NE 2.89Å; D485-R489 PolarHBondContact OD1-NE 2.92Å; D485-R489 IonicContact OD1-NH2 2.99Å; D485-R489 PolarHBondContact OD1-NH2 2.7Å; G487-R489 PolarHBondContact O-N 2.63Å; G487-R489 VanDerWaalsContact O-N 3.08Å
490	Q	93.8	Very high	88.1	Confident	15 Å²	15	54.8 Å²	54.8	7%	0.07	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-73.3	163.4	173.5	-60.6	177.9	-19	0	0	110.5	H344 T365 Y367 L483 G487 F488	H344-Q490 PolarHBondContact CE1-OE1 2.92Å; H344-Q490 VanDerWaalsContact CE1-OE1 3.27Å; T365-Q490 HydrophobicContact CG2-CB 4.26Å; T365-Q490 PolarHBondContact OG1-OE1 3.35Å; Y367-Q490 HydrophobicContact CD2-CG 4.02Å; L483-Q490 WeakPolarHBondContact CB-O 3.29Å; L483-Q490 PolarHBondContact N-O 3.26Å; G487-Q490 WeakPolarHBondContact O-CB 3.23Å; G487-Q490 WeakPolarHBondContact O-CG 3.32Å; G487-Q490 PolarHBondContact O-N 2.97Å; G487-Q490 VanDerWaalsContact O-N 3.09Å; F488-Q490 HydrophobicContact CB-CG 4.16Å; F488-Q490 PolarHBondContact O-N 3.47Å; F488-Q490 VanDerWaalsContact O-N 3.12Å
491	L	92.7	Very high	86.5	Confident	15 Å²	15	53.9 Å²	53.9	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	140.8	-178	-72.4	163	0	0	0	111.5	C339 C366 L478	C339-L491 HydrophobicContact CB-CD1 4.31Å; C339-L491 WeakPolarHBondContact SG-CD1 3.33Å; C366-L491 HydrophobicContact CB-CB 4.07Å; C366-L491 PolarHBondContact N-O 2.95Å; C366-L491 PolarHBondContact O-N 3.41Å; L478-L491 HydrophobicContact CD1-CB 4.06Å; L478-L491 HydrophobicContact CD2-CD1 4.48Å
492	E	94.2	Very high	85	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.6	178.7	-174.6	-168.2	-138.4	0	0	111.3	P420 L421 S422 S479 A481 L483 V494	P420-E492 VanDerWaalsContact CD-OE1 3.26Å; P420-E492 WeakPolarHBondContact CD-OE1 3.46Å; P420-E492 HydrophobicContact CG-CG 4.32Å; P420-E492 WeakPolarHBondContact CG-OE1 3.13Å; L421-E492 PolarHBondContact N-OE1 3.29Å; S422-E492 WeakPolarHBondContact CB-OE2 3.48Å; S422-E492 PolarHBondContact N-OE1 3.02Å; S422-E492 PolarHBondContact OG-OE2 3.44Å; S479-E492 WeakPolarHBondContact CB-OE2 3.35Å; S479-E492 PolarHBondContact N-O 2.66Å; S479-E492 PolarHBondContact OG-OE2 3.21Å; A481-E492 PolarHBondContact O-N 3.25Å; L483-E492 HydrophobicContact CD2-CB 3.87Å; L483-E492 HydrophobicContact CD2-CG 4.03Å; L483-E492 HydrophobicContact CG-CB 4.23Å; E492-V494 HydrophobicContact CG-CG1 3.65Å
493	V	95	Very high	83.8	Confident	1 Å²	1	57 Å²	57	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.3	172	179.6	0	0	0	0	108.8	L341 C366 V428 L476 W508	L341-V493 HydrophobicContact CD1-CG1 4.08Å; L341-V493 HydrophobicContact CD1-CG2 4.18Å; C366-V493 HydrophobicContact CB-CG2 3.6Å; V428-V493 HydrophobicContact CB-CG1 4.35Å; V428-V493 HydrophobicContact CG1-CG1 4.33Å; V428-V493 HydrophobicContact CG2-CG1 4.46Å; L476-V493 HydrophobicContact CD1-CG1 3.48Å; L476-V493 VanDerWaalsContact CD1-CG1 3.48Å; L476-V493 HydrophobicContact CG-CG1 4.11Å; V493-W508 HydrophobicContact CG2-CH2 4.48Å
494	V	94.4	Very high	82.7	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	159.9	-172.1	-56.3	0	0	0	0	112.1	A419 Q426 K477 E492	A419-V494 HydrophobicContact CB-CB 4.33Å; A419-V494 HydrophobicContact CB-CG1 3.6Å; Q426-V494 WeakPolarHBondContact O-CA 3.29Å; K477-V494 HydrophobicContact CB-CG2 4.21Å; K477-V494 PolarHBondContact N-O 2.85Å; K477-V494 PolarHBondContact O-N 3.3Å; E492-V494 HydrophobicContact CG-CG1 3.65Å
495	G	93.9	Very high	82.1	Confident	2 Å²	2	61.9 Å²	61.9	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.8	169.2	0	0	0	0	0	110.6	Q426 I475	Q426-G495 WeakPolarHBondContact CB-O 3.17Å; Q426-G495 PolarHBondContact N-O 3.16Å; Q426-G495 PolarHBondContact O-N 3.09Å; I475-G495 WeakPolarHBondContact O-CA 3.24Å
496	E	90.9	Very high	81.7	Confident	23 Å²	23	56.8 Å²	56.8	11%	0.107	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.6	-179.1	-168.5	176	-140.4	0	0	112.2	A474 I475 K477 L500	A474-E496 CarbonylContact C-O 3.59Å; I475-E496 PolarHBondContact N-O 3.16Å; I475-E496 PolarHBondContact O-N 3.11Å; K477-E496 HydrophobicContact CD-CB 4.15Å; K477-E496 WeakPolarHBondContact CD-OE2 3.33Å; K477-E496 VanDerWaalsContact CE-OE2 3.28Å; K477-E496 WeakPolarHBondContact CE-OE2 3.42Å; K477-E496 IonicContact NZ-OE1 3.62Å; K477-E496 IonicContact NZ-OE2 2.62Å; K477-E496 PolarHBondContact NZ-OE2 3.31Å; E496-L500 HydrophobicContact CG-CD1 4.43Å; E496-L500 VanDerWaalsContact OE1-CD1 3.31Å; E496-L500 WeakPolarHBondContact OE1-CD1 3.49Å
497	K	85.5	Confident	81.6	Confident	112 Å²	112	54.6 Å²	54.6	49%	0.487	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	145.2	176.9	-69.5	-179.9	-179.6	174	0	111	T472 S499	T472-K497 WeakPolarHBondContact O-CE 3.46Å; K497-S499 PolarHBondContact O-N 3.37Å
498	L	73.1	Confident	81.6	Confident	89 Å²	89	54.6 Å²	54.6	47%	0.466	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-61.9	-6.7	-172.7	-142.6	140.6	0	0	0	115.2	I475 L500 G501	I475-L498 HydrophobicContact CD1-CB 4.13Å; I475-L498 HydrophobicContact CD1-CD1 3.3Å; I475-L498 HydrophobicContact CD1-CG 3.65Å; I475-L498 HydrophobicContact CG1-CD1 4.27Å; L498-L500 PolarHBondContact O-N 2.88Å; L498-G501 PolarHBondContact O-N 3.23Å
499	S	60.5	Low	81.5	Confident	108 Å²	108	49.6 Å²	49.6	76%	0.755	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-62.3	-11.3	-175	40.2	0	0	0	0	115.4	K497	K497-S499 PolarHBondContact O-N 3.37Å
500	L	58.7	Low	81.5	Confident	113 Å²	113	41.7 Å²	41.7	59%	0.592	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-98.3	3.4	-179.6	-81.9	139.6	0	0	0	114.8	E496 L498	E496-L500 HydrophobicContact CG-CD1 4.43Å; E496-L500 VanDerWaalsContact OE1-CD1 3.31Å; E496-L500 WeakPolarHBondContact OE1-CD1 3.49Å; L498-L500 PolarHBondContact O-N 2.88Å
501	G	53.2	Low	81.2	Confident	26 Å²	26	41 Å²	41	27%	0.268	23%	0.228	S	C	.	.			trans	91.6	157.7	179.6	0	0	0	0	0	113.5	L498 H503	L498-G501 PolarHBondContact O-N 3.23Å; G501-H503 PolarHBondContact O-N 2.85Å
502	P	55.8	Low	81	Confident	111 Å²	111	41.4 Å²	41.4	72%	0.721	23%	0.23	S	C	*	.			trans	-72.8	101.5	-177.4	28.3	-31.6	0	0	0	110.4
503	H	65.5	Low	80.7	Confident	99 Å²	99	41.5 Å²	41.5	46%	0.458	23%	0.23	S	C	.	.			trans	-92.6	141.8	170.3	-74.6	-73.9	0	0	0	110.6	G501 S505 M506	G501-H503 PolarHBondContact O-N 2.85Å; H503-S505 PolarHBondContact O-N 3.12Å; H503-M506 HydrophobicContact CB-CE 4.45Å; H503-M506 WeakPolarHBondContact O-CB 3.48Å; H503-M506 PolarHBondContact O-N 3.27Å
504	E	70.3	Confident	80.2	Confident	113 Å²	113	42.8 Å²	42.8	53%	0.528	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-53.1	-25.1	176.1	-68.1	-172.1	170.2	0	0	112.3	S333 K335 M506 V507	S333-E504 VanDerWaalsContact CB-C 3.46Å; K335-E504 IonicContact NZ-OE2 3.75Å; E504-M506 PolarHBondContact O-N 3.04Å; E504-V507 WeakPolarHBondContact O-CB 3.42Å; E504-V507 PolarHBondContact O-N 3.11Å
505	S	80.1	Confident	79.6	Confident	20 Å²	20	46.4 Å²	46.4	14%	0.14	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-70.2	-8.7	179.7	58.6	0	0	0	0	116.3	S333 K477 L478 H503 V507	S333-S505 WeakPolarHBondContact OG-CA 3.39Å; S333-S505 WeakPolarHBondContact OG-CB 3.45Å; S333-S505 PolarHBondContact OG-N 3.05Å; K477-S505 WeakPolarHBondContact CA-O 3.34Å; K477-S505 VanDerWaalsContact CE-OG 3.28Å; K477-S505 WeakPolarHBondContact CE-OG 3.49Å; L478-S505 PolarHBondContact N-O 2.85Å; H503-S505 PolarHBondContact O-N 3.12Å; S505-V507 VanDerWaalsContact C-N 3.34Å
506	M	86.2	Confident	78.6	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-87.8	-7.9	172.2	-59.9	175.5	-177	0	0	112.3	R466 I475 K477 H503 E504	R466-M506 WeakPolarHBondContact CG-O 3.36Å; I475-M506 HydrophobicContact CD1-SD 3.95Å; I475-M506 HydrophobicContact CG2-CB 3.95Å; I475-M506 HydrophobicContact CG2-CG 4.41Å; K477-M506 HydrophobicContact CB-CG 4.12Å; K477-M506 HydrophobicContact CD-CE 4.12Å; K477-M506 HydrophobicContact CD-CG 4.22Å; K477-M506 HydrophobicContact CG-CG 4.05Å; H503-M506 HydrophobicContact CB-CE 4.45Å; H503-M506 WeakPolarHBondContact O-CB 3.48Å; H503-M506 PolarHBondContact O-N 3.27Å; E504-M506 PolarHBondContact O-N 3.04Å
507	V	90.3	Very high	77.7	Confident	14 Å²	14	54.8 Å²	54.8	9%	0.085	28%	0.28	C	S	.	.			trans	-101.5	133.4	-170.5	-171.5	0	0	0	0	110.9	V332 V449 E464 R466 E504 S505	V332-V507 HydrophobicContact CB-CB 4.19Å; V332-V507 HydrophobicContact CB-CG1 4.23Å; V332-V507 HydrophobicContact CG2-CB 4.16Å; V332-V507 HydrophobicContact CG2-CG1 3.73Å; V332-V507 PolarHBondContact N-O 2.92Å; V449-V507 HydrophobicContact CG2-CG2 4.4Å; E464-V507 HydrophobicContact CB-CG1 3.54Å; E464-V507 HydrophobicContact CG-CG1 3.97Å; R466-V507 HydrophobicContact CG-CG2 4.42Å; E504-V507 WeakPolarHBondContact O-CB 3.42Å; E504-V507 PolarHBondContact O-N 3.11Å; S505-V507 VanDerWaalsContact C-N 3.34Å
508	W	93.2	Very high	76.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.7	179.9	-59	82	0	0	0	110.1	L329 K330 L341 V465 F467 L476 V493	L329-W508 HydrophobicContact CB-CE3 4.23Å; K330-W508 CarbonylContact O-C 3.52Å; K330-W508 VanDerWaalsContact O-CA 3.27Å; K330-W508 WeakPolarHBondContact O-CA 3.48Å; L341-W508 HydrophobicContact CB-CH2 4.39Å; L341-W508 HydrophobicContact CB-CZ3 3.91Å; L341-W508 HydrophobicContact CD1-CH2 4.11Å; L341-W508 HydrophobicContact CD1-CZ3 4.46Å; V465-W508 HydrophobicContact CG2-CB 4.38Å; V465-W508 WeakPolarHBondContact CG2-O 3.32Å; V465-W508 PolarHBondContact N-O 3.4Å; V465-W508 PolarHBondContact O-N 2.81Å; F467-W508 HydrophobicContact CD2-CG 4.43Å; F467-W508 HydrophobicContact CE2-CB 4.16Å; F467-W508 HydrophobicContact CE2-CG 4.34Å; L476-W508 HydrophobicContact CD2-CZ2 4.08Å; L476-W508 HydrophobicContact CG-CZ2 4.03Å; L476-W508 PolarHBondContact O-NE1 2.57Å; V493-W508 HydrophobicContact CG2-CH2 4.48Å
509	N	91.9	Very high	76	Confident	12 Å²	12	51 Å²	51	6%	0.064	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.6	169.7	70.2	-15.2	0	0	0	110.4	S300 L329 K330 V332	S300-N509 WeakPolarHBondContact CB-ND2 3.23Å; S300-N509 PolarHBondContact OG-ND2 3.02Å; L329-N509 WeakPolarHBondContact CA-O 3.22Å; K330-N509 VanDerWaalsContact CB-OD1 3.3Å; K330-N509 WeakPolarHBondContact CB-OD1 3.39Å; K330-N509 PolarHBondContact N-O 3.2Å; K330-N509 PolarHBondContact O-N 2.84Å; K330-N509 PolarHBondContact O-OD1 2.88Å; V332-N509 HydrophobicContact CG2-CB 4.31Å
510	V	91.9	Very high	76.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.9	171.2	169.2	0	0	0	0	108.1	V321 V327 T328 L329 W458 T460 I461 H513	V321-V510 HydrophobicContact CG2-CG1 4.4Å; V321-V510 HydrophobicContact CG2-CG2 4.24Å; V327-V510 HydrophobicContact CB-CG1 3.76Å; V327-V510 HydrophobicContact CB-CG2 4.1Å; V327-V510 HydrophobicContact CG1-CG1 3.69Å; V327-V510 HydrophobicContact CG1-CG2 4.21Å; V327-V510 HydrophobicContact CG2-CG2 4.35Å; T328-V510 WeakPolarHBondContact O-CA 3.27Å; L329-V510 HydrophobicContact CD2-CG2 3.7Å; W458-V510 HydrophobicContact CH2-CG2 4.16Å; W458-V510 HydrophobicContact CZ2-CG2 3.31Å; T460-V510 HydrophobicContact CG2-CG1 3.89Å; I461-V510 WeakPolarHBondContact CA-O 3.42Å; I461-V510 PolarHBondContact N-O 3.47Å; V510-H513 HydrophobicContact CG1-CB 4.09Å
511	E	87.3	Confident	76.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-56.2	-178.9	-173.1	171.4	-99.8	0	0	111.3	S300 L310 T314 Q317 T328 K330 W340 K370	S300-E511 PolarHBondContact OG-OE1 2.84Å; L310-E511 HydrophobicContact CD1-CG 3.61Å; L310-E511 HydrophobicContact CD2-CG 3.9Å; L310-E511 HydrophobicContact CG-CG 4.38Å; T314-E511 VanDerWaalsContact CG2-O 3.3Å; T314-E511 WeakPolarHBondContact CG2-O 3.31Å; Q317-E511 PolarHBondContact NE2-O 3.18Å; Q317-E511 VanDerWaalsContact NE2-O 3.1Å; Q317-E511 PolarHBondContact OE1-O 3.45Å; T328-E511 PolarHBondContact O-N 2.8Å; K330-E511 HydrophobicContact CB-CB 4.43Å; K330-E511 WeakPolarHBondContact CD-OE1 3.34Å; K330-E511 IonicContact NZ-OE1 2.64Å; K330-E511 PolarHBondContact NZ-OE1 3.24Å; W340-E511 VanDerWaalsContact CZ2-OE2 3.24Å; W340-E511 WeakPolarHBondContact CZ2-OE2 3.29Å; W340-E511 PolarHBondContact NE1-OE2 3.39Å; K370-E511 WeakPolarHBondContact CE-OE2 3.37Å; K370-E511 IonicContact NZ-OE2 2.71Å; K370-E511 PolarHBondContact NZ-OE2 2.93Å
512	E	89	Confident	77.1	Confident	23 Å²	23	56.6 Å²	56.6	11%	0.107	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	142.8	177	-57.4	177.8	-146.3	0	0	110.5	I313 T314 Q317 V327 T328 K370 W375	I313-E512 VanDerWaalsContact CG2-CD 3.47Å; I313-E512 HydrophobicContact CG2-CG 4Å; I313-E512 WeakPolarHBondContact CG2-OE2 3.21Å; T314-E512 HydrophobicContact CG2-CG 4.3Å; Q317-E512 VanDerWaalsContact OE1-CA 3.3Å; V327-E512 CarbonylContact C-O 3.47Å; V327-E512 VanDerWaalsContact CA-O 3.25Å; V327-E512 WeakPolarHBondContact CA-O 3.44Å; T328-E512 HydrophobicContact CG2-CB 4.17Å; T328-E512 PolarHBondContact N-O 3.35Å; T328-E512 WeakPolarHBondContact OG1-CB 3.42Å; T328-E512 PolarHBondContact OG1-N 3.14Å; K370-E512 WeakPolarHBondContact CD-OE1 3.46Å; K370-E512 WeakPolarHBondContact CE-OE1 3.37Å; K370-E512 IonicContact NZ-OE1 3.11Å; K370-E512 PolarHBondContact NZ-OE1 3.03Å; W375-E512 HydrophobicContact CH2-CB 3.61Å; W375-E512 HydrophobicContact CZ2-CB 3.88Å; W375-E512 VanDerWaalsContact CZ2-OE2 3.31Å; W375-E512 WeakPolarHBondContact CZ2-OE2 3.23Å; W375-E512 HydrophobicContact CZ3-CB 4.43Å
513	H	87.5	Confident	77.8	Confident	3 Å²	3	55.9 Å²	55.9	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	137.2	-176.5	176.1	-146.4	0	0	0	111.8	Q317 P318 E320 S325 Q326 V327 T460 V510 Y515	Q317-H513 HydrophobicContact CB-CB 4.35Å; Q317-H513 VanDerWaalsContact CB-O 3.32Å; Q317-H513 WeakPolarHBondContact CB-O 3.34Å; P318-H513 WeakPolarHBondContact CD-O 3.13Å; P318-H513 PolarHBondContact O-ND1 3.03Å; E320-H513 PolarHBondContact O-CE1 3.49Å; E320-H513 VanDerWaalsContact O-CE1 3.24Å; S325-H513 WeakPolarHBondContact CB-NE2 3.08Å; S325-H513 PolarHBondContact OG-NE2 3.45Å; Q326-H513 WeakPolarHBondContact O-CA 3.26Å; Q326-H513 PolarHBondContact O-CD2 3.39Å; V327-H513 HydrophobicContact CG1-CB 4.26Å; T460-H513 HydrophobicContact CG2-CB 3.36Å; T460-H513 WeakPolarHBondContact CG2-ND1 3.46Å; V510-H513 HydrophobicContact CG1-CB 4.09Å; H513-Y515 AromaticContact CE1-CE1 3.68Å; H513-Y515 AromaticContact NE2-CD1 3.81Å; H513-Y515 AromaticContact NE2-CE1 3.75Å
514	R	84.7	Confident	77.8	Confident	28 Å²	28	51.9 Å²	51.9	11%	0.106	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.4	170.2	66.6	-176.8	107	-165.6	9.2	110.9	Q326 W375 G516 E527 L528 T532	Q326-R514 HydrophobicContact CB-CG 3.62Å; Q326-R514 PolarHBondContact N-O 2.96Å; Q326-R514 PolarHBondContact O-N 2.82Å; W375-R514 HydrophobicContact CE3-CG 4.48Å; W375-R514 HydrophobicContact CH2-CG 4.32Å; W375-R514 HydrophobicContact CZ3-CG 3.79Å; R514-G516 PolarHBondContact O-N 2.96Å; R514-E527 PolarHBondContact NH1-O 3.4Å; R514-L528 PolarHBondContact NH2-O 3.08Å; R514-T532 HydrophobicContact CB-CG2 4.45Å
515	Y	81.5	Confident	77.6	Confident	77 Å²	77	49.5 Å²	49.5	30%	0.302	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	112.7	169	-67.7	-37.8	0	0	0	109.4	P318 E320 A322 S325 V388 P392 H513	P318-Y515 HydrophobicContact CB-CD1 4.42Å; P318-Y515 HydrophobicContact CB-CD2 4.08Å; P318-Y515 HydrophobicContact CB-CE1 3.83Å; P318-Y515 HydrophobicContact CB-CE2 3.42Å; P318-Y515 VanDerWaalsContact CB-CE2 3.42Å; P318-Y515 WeakPolarHBondContact CB-OH 2.86Å; P318-Y515 HydrophobicContact CG-CD1 4.04Å; P318-Y515 HydrophobicContact CG-CD2 3.63Å; P318-Y515 HydrophobicContact CG-CE1 3.96Å; P318-Y515 HydrophobicContact CG-CE2 3.54Å; P318-Y515 HydrophobicContact CG-CG 3.89Å; E320-Y515 PolarHBondContact O-OH 3.26Å; A322-Y515 HydrophobicContact CB-CE1 3.99Å; S325-Y515 WeakPolarHBondContact OG-CD1 3.19Å; V388-Y515 HydrophobicContact CB-CD1 4.37Å; V388-Y515 HydrophobicContact CG1-CD1 3.93Å; V388-Y515 HydrophobicContact CG1-CE1 4.35Å; V388-Y515 HydrophobicContact CG1-CG 4.23Å; V388-Y515 HydrophobicContact CG2-CD1 3.74Å; V388-Y515 HydrophobicContact CG2-CG 4.14Å; P392-Y515 HydrophobicContact CB-CE1 4.4Å; P392-Y515 HydrophobicContact CG-CE2 4.13Å; H513-Y515 AromaticContact CE1-CE1 3.68Å; H513-Y515 AromaticContact NE2-CD1 3.81Å; H513-Y515 AromaticContact NE2-CE1 3.75Å
516	G	74.4	Confident	77	Confident	3 Å²	3	54.1 Å²	54.1	3%	0.031	24%	0.244	C	C	.	.			trans	-66.5	132.4	176.4	0	0	0	0	0	110.7	V387 V388 R514	V387-G516 WeakPolarHBondContact CG1-O 3.49Å; V388-G516 PolarHBondContact N-O 2.87Å; R514-G516 PolarHBondContact O-N 2.96Å
517	R	70.4	Confident	76.2	Confident	199 Å²	199	56.3 Å²	56.3	75%	0.751	25%	0.254	S	S	*	.			trans	-112.7	-30.7	176	-55.9	-177.3	-161.9	-178.2	5.1	111.9	H519 E527	R517-H519 PolarHBondContact O-N 3.04Å; R517-E527 WeakPolarHBondContact CB-OE1 3.48Å; R517-E527 PolarHBondContact N-OE2 2.89Å
518	G	62.8	Low	74.8	Confident	4 Å²	4	56.2 Å²	56.2	4%	0.041	25%	0.252	C	S	.	.			trans	-67.4	124.1	-178.8	0	0	0	0	0	114.2	R524 E527	G518-R524 WeakPolarHBondContact O-CG 3.25Å; G518-E527 PolarHBondContact N-OE1 3.45Å; G518-E527 PolarHBondContact N-OE2 3.3Å
519	H	61.2	Low	73.4	Confident	117 Å²	117	62.2 Å²	62.2	54%	0.542	28%	0.28	S	S	.	.			trans	-80.2	-40.1	174	-89.9	-81.3	0	0	0	111.4	R517 E523 R524	R517-H519 PolarHBondContact O-N 3.04Å; H519-E523 PolarHBondContact N-OE2 3.11Å; H519-R524 PolarHBondContact O-NH1 3.08Å
520	E	61.8	Low	71.6	Confident	127 Å²	127	64.7 Å²	64.7	59%	0.593	30%	0.298	S	S	*	.	S	Bend	trans	-88.2	149.9	-177.3	-63.9	-167.2	169.2	0	0	112.4	K522 E523 R524	E520-K522 VanDerWaalsContact C-N 3.28Å; E520-K522 PolarHBondContact O-N 3.18Å; E520-E523 HydrophobicContact CB-CG 4.25Å; E520-E523 PolarHBondContact O-N 3.42Å; E520-R524 PolarHBondContact O-N 3.1Å
521	Q	66.4	Low	69.8	Low	81 Å²	81	70.2 Å²	70.2	38%	0.379	34%	0.335	S	S	.	.	H	α-helix	trans	-60.4	-38.5	-177.8	-176.9	167.2	-10.3	0	0	112.4	M407 T409 R524 E525	M407-Q521 PolarHBondContact O-NE2 2.77Å; T409-Q521 HydrophobicContact CG2-CG 4.44Å; Q521-R524 WeakPolarHBondContact O-CB 3.33Å; Q521-R524 PolarHBondContact O-N 3.04Å; Q521-E525 WeakPolarHBondContact O-CG 3.49Å; Q521-E525 PolarHBondContact O-N 2.58Å
522	K	66.6	Low	67.9	Low	157 Å²	157	72.6 Å²	72.6	68%	0.683	35%	0.349	S	S	*	.	H	α-helix	trans	-68.4	-36.6	-179.5	-158.4	177.1	-175.8	-178.1	0	112.6	E520 E525 L526	E520-K522 VanDerWaalsContact C-N 3.28Å; E520-K522 PolarHBondContact O-N 3.18Å; K522-E525 PolarHBondContact O-N 2.8Å; K522-L526 WeakPolarHBondContact O-CG 3.48Å; K522-L526 PolarHBondContact O-N 2.99Å; K522-L526 VanDerWaalsContact O-N 3.08Å
523	E	71	Confident	65.5	Low	95 Å²	95	79.4 Å²	79.4	44%	0.444	38%	0.381	S	S	.	.	H	α-helix	trans	-67.1	-40.9	173.2	-64.5	179.9	155.5	0	0	111	H519 E520 L526 E527	H519-E523 PolarHBondContact N-OE2 3.11Å; E520-E523 HydrophobicContact CB-CG 4.25Å; E520-E523 PolarHBondContact O-N 3.42Å; E523-L526 PolarHBondContact O-N 3.28Å; E523-E527 WeakPolarHBondContact O-CG 3.33Å; E523-E527 PolarHBondContact O-N 2.96Å
524	R	66	Low	63	Low	16 Å²	16	86.2 Å²	86.2	6%	0.06	41%	0.412	C	S	.	.	H	α-helix	trans	-61.5	-43.9	173.7	-71.1	-166.6	-67.3	-94.9	0.1	111.9	G518 H519 E520 Q521 L526 E527 L528	G518-R524 WeakPolarHBondContact O-CG 3.25Å; H519-R524 PolarHBondContact O-NH1 3.08Å; E520-R524 PolarHBondContact O-N 3.1Å; Q521-R524 WeakPolarHBondContact O-CB 3.33Å; Q521-R524 PolarHBondContact O-N 3.04Å; R524-L526 VanDerWaalsContact C-N 3.31Å; R524-L526 PolarHBondContact O-N 3.47Å; R524-E527 PolarHBondContact O-N 3.31Å; R524-L528 WeakPolarHBondContact O-CB 3.25Å; R524-L528 WeakPolarHBondContact O-CG 3.1Å; R524-L528 PolarHBondContact O-N 3.39Å
525	E	66.6	Low	60.7	Low	62 Å²	62	91.6 Å²	91.6	29%	0.29	44%	0.443	S	S	.	.	H	α-helix	trans	-57.8	-45	175.3	-73.1	175.3	-179.1	0	0	110.9	M407 Q521 K522 L528 H529	M407-E525 HydrophobicContact CE-CG 3.84Å; M407-E525 HydrophobicContact SD-CG 3.97Å; Q521-E525 WeakPolarHBondContact O-CG 3.49Å; Q521-E525 PolarHBondContact O-N 2.58Å; K522-E525 PolarHBondContact O-N 2.8Å; E525-L528 PolarHBondContact O-N 3.09Å; E525-H529 PolarHBondContact O-CD2 2.74Å; E525-H529 PolarHBondContact O-N 3.43Å
526	L	67	Low	58.8	Low	118 Å²	118	93.7 Å²	93.7	62%	0.618	46%	0.459	S	S	*	.	H	α-helix	trans	-64.8	-41.2	175.8	-71.7	164.6	0	0	0	113.2	K522 E523 R524 L528 H529 S530	K522-L526 WeakPolarHBondContact O-CG 3.48Å; K522-L526 PolarHBondContact O-N 2.99Å; K522-L526 VanDerWaalsContact O-N 3.08Å; E523-L526 PolarHBondContact O-N 3.28Å; R524-L526 VanDerWaalsContact C-N 3.31Å; R524-L526 PolarHBondContact O-N 3.47Å; L526-L528 VanDerWaalsContact C-N 3.32Å; L526-L528 PolarHBondContact O-N 2.99Å; L526-H529 PolarHBondContact O-N 3.2Å; L526-S530 PolarHBondContact O-N 3.19Å
527	E	68.2	Low	57.6	Low	47 Å²	47	98 Å²	98	22%	0.22	49%	0.488	C	S	.	.	H	α-helix	trans	-61.2	-42.3	174.5	-77.6	-178.3	176.7	0	0	111.2	R514 R517 G518 E523 R524 H529 S530	R514-E527 PolarHBondContact NH1-O 3.4Å; R517-E527 WeakPolarHBondContact CB-OE1 3.48Å; R517-E527 PolarHBondContact N-OE2 2.89Å; G518-E527 PolarHBondContact N-OE1 3.45Å; G518-E527 PolarHBondContact N-OE2 3.3Å; E523-E527 WeakPolarHBondContact O-CG 3.33Å; E523-E527 PolarHBondContact O-N 2.96Å; R524-E527 PolarHBondContact O-N 3.31Å; E527-H529 PolarHBondContact O-N 2.93Å; E527-S530 PolarHBondContact O-N 3.13Å; E527-S530 PolarHBondContact O-OG 2.65Å
528	L	62.2	Low	56.9	Low	11 Å²	11	91.2 Å²	91.2	6%	0.058	46%	0.462	C	S	.	.	H	α-helix	trans	-61.3	-30	178.9	-72.9	170.5	0	0	0	112	I372 W375 M407 R514 R524 E525 L526	I372-L528 HydrophobicContact CG2-CB 4.26Å; I372-L528 HydrophobicContact CG2-CD1 4.21Å; W375-L528 HydrophobicContact CB-CD2 3.83Å; W375-L528 HydrophobicContact CD2-CD2 3.75Å; W375-L528 HydrophobicContact CE3-CD2 4.22Å; W375-L528 HydrophobicContact CG-CD2 3.55Å; M407-L528 HydrophobicContact SD-CD1 3.79Å; R514-L528 PolarHBondContact NH2-O 3.08Å; R524-L528 WeakPolarHBondContact O-CB 3.25Å; R524-L528 WeakPolarHBondContact O-CG 3.1Å; R524-L528 PolarHBondContact O-N 3.39Å; E525-L528 PolarHBondContact O-N 3.09Å; L526-L528 VanDerWaalsContact C-N 3.32Å; L526-L528 PolarHBondContact O-N 2.99Å
529	H	63.6	Low	56.9	Low	127 Å²	127	98.5 Å²	98.5	59%	0.588	50%	0.5	S	S	*	.	H	α-helix	trans	-78	-15.3	174.5	-71.9	-61.9	0	0	0	114.8	I372 E525 L526 E527	I372-H529 VanDerWaalsContact CD1-CE1 3.43Å; I372-H529 WeakPolarHBondContact CD1-CE1 3.34Å; E525-H529 PolarHBondContact O-CD2 2.74Å; E525-H529 PolarHBondContact O-N 3.43Å; L526-H529 PolarHBondContact O-N 3.2Å; E527-H529 PolarHBondContact O-N 2.93Å
530	S	54.5	Low	57.6	Low	63 Å²	63	94.6 Å²	94.6	44%	0.441	48%	0.483	S	S	.	.	S	Bend	trans	-87.4	140.4	-176.9	70.2	0	0	0	0	113	L526 E527	L526-S530 PolarHBondContact O-N 3.19Å; E527-S530 PolarHBondContact O-N 3.13Å; E527-S530 PolarHBondContact O-OG 2.65Å
531	P	52.3	Low	58.7	Low	117 Å²	117	91.9 Å²	91.9	76%	0.76	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-75.6	138.9	179.7	29	-32.5	0	0	0	112.1
532	T	49.4	Very low	59.8	Low	50 Å²	50	89.9 Å²	89.9	31%	0.307	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-79.6	122.6	172.7	39	0	0	0	0	110.5	I313 R514	I313-T532 PolarHBondContact O-OG1 2.98Å; R514-T532 HydrophobicContact CB-CG2 4.45Å
533	Q	37	Very low	61	Low	166 Å²	166	87 Å²	87	78%	0.776	46%	0.459	S	S	*	.			trans	-135.1	100.6	172.5	-83.1	-171.6	-26.6	0	0	110.4
534	H	36.6	Very low	61.8	Low	145 Å²	145	84.2 Å²	84.2	67%	0.671	45%	0.452	S	S	*	.			trans	-145.9	166.1	156.6	-77.2	78.8	0	0	0	107	Q315 G316	Q315-H534 CarbonylContact C-O 3.52Å; G316-H534 WeakPolarHBondContact CA-O 3.44Å; G316-H534 PolarHBondContact N-O 3.25Å
535	D	34.8	Very low	63	Low	142 Å²	142	86.3 Å²	86.3	76%	0.759	46%	0.46	S	S	*	.			trans	-113.4	109.9	-171.1	-71.9	-41.8	0	0	0	113.1
536	I	41.8	Very low	64.2	Low	121 Å²	121	84.9 Å²	84.9	62%	0.621	45%	0.453	S	S	*	.			trans	-148.2	119.3	158.3	-52.5	177.8	0	0	0	108.3
537	S	49.1	Very low	65.4	Low	93 Å²	93	82.6 Å²	82.6	65%	0.65	45%	0.447	S	S	*	.			trans	-95.1	143.3	171.7	62.7	0	0	0	0	110.6
538	R	56.3	Low	66.4	Low	56 Å²	56	82 Å²	82	21%	0.211	44%	0.444	C	S	.	.			trans	-99.5	129.5	170.8	-74.8	-171	176.7	136.3	-18.1	109.9	L319 T460 L540	L319-R538 VanDerWaalsContact CD1-NE 3.3Å; T460-R538 PolarHBondContact O-NH1 3.3Å; T460-R538 PolarHBondContact O-NH2 3.36Å; T460-R538 PolarHBondContact OG1-NH1 2.86Å; T460-R538 PolarHBondContact OG1-NH2 3.11Å; R538-L540 PolarHBondContact O-N 3.49Å
539	N	62	Low	67.8	Low	157 Å²	157	81.5 Å²	81.5	84%	0.84	44%	0.441	S	S	*	.			trans	-87.9	101.6	174.5	-75.8	-18.9	0	0	0	110
540	L	75.8	Confident	69.2	Low	35 Å²	35	76.6 Å²	76.6	18%	0.183	42%	0.418	C	S	.	.			trans	-70.3	136.5	163.8	-125.2	107.9	0	0	0	109.6	A301 R538 A544 R545	A301-L540 HydrophobicContact CB-CD1 3.48Å; A301-L540 VanDerWaalsContact CB-CD1 3.48Å; A301-L540 WeakPolarHBondContact O-CD1 3.34Å; R538-L540 PolarHBondContact O-N 3.49Å; L540-A544 HydrophobicContact CD2-CB 3.77Å; L540-R545 HydrophobicContact CB-CG 3.99Å; L540-R545 HydrophobicContact CD2-CG 3.68Å; L540-R545 HydrophobicContact CG-CG 4.47Å; L540-R545 PolarHBondContact O-NE 2.88Å
541	S	86.6	Confident	70.8	Confident	71 Å²	71	80.8 Å²	80.8	50%	0.497	43%	0.425	S	S	.	.			trans	-63.1	150.8	175.8	78.2	0	0	0	0	110.6	M543 A544 R545	S541-M543 VanDerWaalsContact C-N 3.28Å; S541-M543 PolarHBondContact O-N 3.2Å; S541-A544 PolarHBondContact O-N 3.23Å; S541-A544 WeakPolarHBondContact OG-CB 3.3Å; S541-A544 PolarHBondContact OG-N 3.1Å; S541-R545 PolarHBondContact O-N 3.49Å
542	F	89.5	Confident	72.5	Confident	39 Å²	39	75.9 Å²	75.9	17%	0.171	39%	0.391	C	S	.	.	H	α-helix	trans	-59.7	-40.8	175.4	165.3	-116.3	0	0	0	111.4	L278 F281 Y282 L285 A544 R545 F546	L278-F542 WeakPolarHBondContact O-CZ 3.34Å; F281-F542 HydrophobicContact CB-CE2 4.42Å; F281-F542 HydrophobicContact CB-CZ 4.29Å; Y282-F542 AromaticContact CD2-CD1 3.96Å; Y282-F542 HydrophobicContact CD2-CD1 3.96Å; Y282-F542 AromaticContact CD2-CD2 3.89Å; Y282-F542 HydrophobicContact CD2-CD2 3.89Å; Y282-F542 HydrophobicContact CD2-CE1 4.14Å; Y282-F542 HydrophobicContact CD2-CE2 4.07Å; Y282-F542 AromaticContact CD2-CG 3.86Å; Y282-F542 HydrophobicContact CD2-CG 3.86Å; Y282-F542 HydrophobicContact CD2-CZ 4.21Å; Y282-F542 HydrophobicContact CG-CE2 4.47Å; Y282-F542 HydrophobicContact CG-CZ 4.45Å; L285-F542 HydrophobicContact CD1-CD2 4.05Å; L285-F542 HydrophobicContact CD1-CE2 3.96Å; F542-A544 PolarHBondContact O-N 2.71Å; F542-R545 PolarHBondContact O-N 3.3Å; F542-F546 HydrophobicContact CE2-CB 4.11Å; F542-F546 HydrophobicContact CZ-CB 4.16Å; F542-F546 VanDerWaalsContact O-CB 3.3Å; F542-F546 WeakPolarHBondContact O-CB 3.41Å; F542-F546 PolarHBondContact O-N 3.47Å
543	M	91.5	Very high	74.3	Confident	96 Å²	96	74.2 Å²	74.2	47%	0.473	38%	0.38	S	S	.	.	H	α-helix	trans	-60.7	-42.7	179.4	-70.8	-67.1	103.7	0	0	112.4	L278 S541 F546 S547	L278-M543 HydrophobicContact CD2-CE 4.37Å; S541-M543 VanDerWaalsContact C-N 3.28Å; S541-M543 PolarHBondContact O-N 3.2Å; M543-F546 PolarHBondContact O-N 3.5Å; M543-S547 WeakPolarHBondContact O-CB 3Å; M543-S547 PolarHBondContact O-N 2.9Å; M543-S547 PolarHBondContact O-OG 3.22Å; M543-S547 VanDerWaalsContact O-OG 3.08Å
544	A	87.7	Confident	76.7	Confident	36 Å²	36	71.8 Å²	71.8	30%	0.298	37%	0.372	S	S	.	.	H	α-helix	trans	-64.9	-42.8	177.1	0	0	0	0	0	111.7	L540 S541 F542 S547 E548	L540-A544 HydrophobicContact CD2-CB 3.77Å; S541-A544 PolarHBondContact O-N 3.23Å; S541-A544 WeakPolarHBondContact OG-CB 3.3Å; S541-A544 PolarHBondContact OG-N 3.1Å; F542-A544 PolarHBondContact O-N 2.71Å; A544-S547 PolarHBondContact O-OG 3.24Å; A544-E548 VanDerWaalsContact O-CB 3.31Å; A544-E548 WeakPolarHBondContact O-CB 3.44Å; A544-E548 PolarHBondContact O-N 3.22Å
545	R	89.5	Confident	78.8	Confident	61 Å²	61	67.9 Å²	67.9	23%	0.23	36%	0.358	C	S	.	.	H	α-helix	trans	-63	-43.1	174.9	-71.4	-174.1	-77	163.6	-3.7	112	L285 F302 L540 S541 F542 L549	L285-R545 HydrophobicContact CD1-CB 3.79Å; F302-R545 HydrophobicContact CD2-CB 4.06Å; F302-R545 HydrophobicContact CD2-CG 3.83Å; F302-R545 HydrophobicContact CE2-CB 3.65Å; F302-R545 HydrophobicContact CE2-CG 3.81Å; L540-R545 HydrophobicContact CB-CG 3.99Å; L540-R545 HydrophobicContact CD2-CG 3.68Å; L540-R545 HydrophobicContact CG-CG 4.47Å; L540-R545 PolarHBondContact O-NE 2.88Å; S541-R545 PolarHBondContact O-N 3.49Å; F542-R545 PolarHBondContact O-N 3.3Å; R545-L549 WeakPolarHBondContact O-CB 3.45Å; R545-L549 PolarHBondContact O-N 3.1Å
546	F	93.1	Very high	80.8	Confident	31 Å²	31	63.5 Å²	63.5	14%	0.136	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-49.6	178	167.9	-104.2	0	0	0	111.6	Y277 L278 F281 F542 M543 E548 L549 Q550	Y277-F546 HydrophobicContact CD1-CE2 4.47Å; Y277-F546 HydrophobicContact CD1-CZ 4.31Å; Y277-F546 HydrophobicContact CE1-CE2 4.07Å; Y277-F546 AromaticContact CE1-CZ 3.97Å; Y277-F546 HydrophobicContact CE1-CZ 3.97Å; L278-F546 HydrophobicContact CD2-CD1 3.97Å; L278-F546 HydrophobicContact CD2-CD2 4.45Å; L278-F546 HydrophobicContact CD2-CE1 3.53Å; L278-F546 HydrophobicContact CD2-CE2 4.06Å; L278-F546 HydrophobicContact CD2-CG 4.4Å; L278-F546 HydrophobicContact CD2-CZ 3.57Å; F281-F546 HydrophobicContact CB-CD2 3.58Å; F281-F546 HydrophobicContact CB-CE2 3.91Å; F281-F546 HydrophobicContact CD1-CD2 4.06Å; F281-F546 HydrophobicContact CD1-CE2 4.22Å; F281-F546 HydrophobicContact CD2-CD2 4.12Å; F281-F546 AromaticContact CD2-CE2 3.59Å; F281-F546 HydrophobicContact CD2-CE2 3.59Å; F281-F546 HydrophobicContact CE2-CE2 4.21Å; F281-F546 AromaticContact CG-CD2 3.62Å; F281-F546 HydrophobicContact CG-CD2 3.62Å; F281-F546 AromaticContact CG-CE2 3.61Å; F281-F546 HydrophobicContact CG-CE2 3.61Å; F542-F546 HydrophobicContact CE2-CB 4.11Å; F542-F546 HydrophobicContact CZ-CB 4.16Å; F542-F546 VanDerWaalsContact O-CB 3.3Å; F542-F546 WeakPolarHBondContact O-CB 3.41Å; F542-F546 PolarHBondContact O-N 3.47Å; M543-F546 PolarHBondContact O-N 3.5Å; F546-E548 VanDerWaalsContact C-N 3.34Å; F546-E548 PolarHBondContact O-N 3.15Å; F546-L549 PolarHBondContact O-N 3.13Å; F546-Q550 HydrophobicContact CD1-CG 4.5Å; F546-Q550 HydrophobicContact CD2-CG 3.86Å; F546-Q550 HydrophobicContact CE1-CG 4.09Å; F546-Q550 HydrophobicContact CE2-CG 3.39Å; F546-Q550 HydrophobicContact CG-CG 4.4Å; F546-Q550 HydrophobicContact CZ-CG 3.53Å; F546-Q550 WeakPolarHBondContact O-CB 3.27Å; F546-Q550 VanDerWaalsContact O-CG 3.29Å; F546-Q550 WeakPolarHBondContact O-CG 3.47Å; F546-Q550 PolarHBondContact O-N 3.25Å
547	S	91.6	Very high	81.9	Confident	70 Å²	70	65.1 Å²	65.1	49%	0.49	34%	0.338	S	S	.	.	H	α-helix	trans	-64.2	-40.8	-179.5	58.8	0	0	0	0	111.8	M543 A544 W551	M543-S547 WeakPolarHBondContact O-CB 3Å; M543-S547 PolarHBondContact O-N 2.9Å; M543-S547 PolarHBondContact O-OG 3.22Å; M543-S547 VanDerWaalsContact O-OG 3.08Å; A544-S547 PolarHBondContact O-OG 3.24Å; S547-W551 VanDerWaalsContact O-CB 3.29Å; S547-W551 WeakPolarHBondContact O-CB 3.47Å; S547-W551 PolarHBondContact O-N 3.28Å
548	E	90	Very high	82.5	Confident	35 Å²	35	65 Å²	65	16%	0.164	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-48.9	175.9	-173.7	-179.9	166.4	0	0	111	S299 A544 F546 Q550 W551 K552	S299-E548 WeakPolarHBondContact CA-OE1 3.37Å; S299-E548 WeakPolarHBondContact CB-OE1 3.47Å; S299-E548 PolarHBondContact N-OE1 2.71Å; S299-E548 VanDerWaalsContact OG-CD 3.29Å; S299-E548 PolarHBondContact OG-OE1 2.67Å; S299-E548 VanDerWaalsContact OG-OE1 3.1Å; S299-E548 PolarHBondContact OG-OE2 3.11Å; A544-E548 VanDerWaalsContact O-CB 3.31Å; A544-E548 WeakPolarHBondContact O-CB 3.44Å; A544-E548 PolarHBondContact O-N 3.22Å; F546-E548 VanDerWaalsContact C-N 3.34Å; F546-E548 PolarHBondContact O-N 3.15Å; E548-Q550 PolarHBondContact O-N 3.03Å; E548-W551 PolarHBondContact O-N 2.83Å; E548-K552 WeakPolarHBondContact O-CG 3.45Å; E548-K552 PolarHBondContact O-N 2.87Å
549	L	91.6	Very high	82.4	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-58.2	-49.9	178.2	179.8	65.9	0	0	0	111.1	F81 L83 F281 L285 R545 F546 W551 K552 M553	F81-L549 HydrophobicContact CE2-CD1 4.27Å; F81-L549 HydrophobicContact CZ-CD1 4.04Å; L83-L549 HydrophobicContact CD1-CD1 3.36Å; F281-L549 HydrophobicContact CD1-CD2 3.73Å; F281-L549 HydrophobicContact CE1-CD2 3.83Å; L285-L549 HydrophobicContact CD2-CD2 4.06Å; L285-L549 HydrophobicContact CG-CD2 4.38Å; R545-L549 WeakPolarHBondContact O-CB 3.45Å; R545-L549 PolarHBondContact O-N 3.1Å; F546-L549 PolarHBondContact O-N 3.13Å; L549-W551 PolarHBondContact O-N 3.04Å; L549-K552 PolarHBondContact O-N 2.8Å; L549-M553 HydrophobicContact CD1-CG 4.4Å; L549-M553 HydrophobicContact CD1-SD 4.35Å; L549-M553 HydrophobicContact CD2-SD 4.49Å; L549-M553 HydrophobicContact CG-CG 4.45Å; L549-M553 HydrophobicContact CG-SD 3.95Å; L549-M553 VanDerWaalsContact O-CG 3.26Å; L549-M553 WeakPolarHBondContact O-CG 3.32Å; L549-M553 PolarHBondContact O-N 3.17Å
550	Q	91.5	Very high	82	Confident	23 Å²	23	68.2 Å²	68.2	11%	0.107	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-46.2	178	-75.4	-65.1	-81.9	0	0	112.2	Y227 Y277 F546 E548 K552 M553 L554	Y227-Q550 PolarHBondContact OH-NE2 2.86Å; Y227-Q550 PolarHBondContact OH-OE1 2.58Å; Y277-Q550 PolarHBondContact OH-OE1 3.28Å; F546-Q550 HydrophobicContact CD1-CG 4.5Å; F546-Q550 HydrophobicContact CD2-CG 3.86Å; F546-Q550 HydrophobicContact CE1-CG 4.09Å; F546-Q550 HydrophobicContact CE2-CG 3.39Å; F546-Q550 HydrophobicContact CG-CG 4.4Å; F546-Q550 HydrophobicContact CZ-CG 3.53Å; F546-Q550 WeakPolarHBondContact O-CB 3.27Å; F546-Q550 VanDerWaalsContact O-CG 3.29Å; F546-Q550 WeakPolarHBondContact O-CG 3.47Å; F546-Q550 PolarHBondContact O-N 3.25Å; E548-Q550 PolarHBondContact O-N 3.03Å; Q550-K552 VanDerWaalsContact C-N 3.29Å; Q550-K552 PolarHBondContact O-N 3.24Å; Q550-M553 PolarHBondContact O-N 3.37Å; Q550-L554 WeakPolarHBondContact O-CG 3.25Å; Q550-L554 PolarHBondContact O-N 2.89Å; Q550-L554 VanDerWaalsContact O-N 3.09Å
551	W	89	Confident	81.2	Confident	152 Å²	152	73.8 Å²	73.8	58%	0.576	38%	0.375	S	S	*	.	H	α-helix	trans	-59.3	-43.2	177.5	-175.9	-105.2	0	0	0	111.4	S547 E548 L549 L554 T555	S547-W551 VanDerWaalsContact O-CB 3.29Å; S547-W551 WeakPolarHBondContact O-CB 3.47Å; S547-W551 PolarHBondContact O-N 3.28Å; E548-W551 PolarHBondContact O-N 2.83Å; L549-W551 PolarHBondContact O-N 3.04Å; W551-L554 PolarHBondContact O-N 2.59Å; W551-T555 HydrophobicContact CD2-CG2 4Å; W551-T555 HydrophobicContact CE3-CG2 4.48Å; W551-T555 HydrophobicContact CG-CG2 4.43Å; W551-T555 HydrophobicContact CH2-CG2 4.38Å; W551-T555 HydrophobicContact CZ2-CG2 3.88Å; W551-T555 WeakPolarHBondContact O-CB 3.46Å; W551-T555 WeakPolarHBondContact O-CG2 3.4Å; W551-T555 PolarHBondContact O-N 2.66Å; W551-T555 PolarHBondContact O-OG1 3.06Å
552	K	87.2	Confident	80.3	Confident	13 Å²	13	79.3 Å²	79.3	6%	0.057	39%	0.393	C	S	.	.	H	α-helix	trans	-66.4	-43.1	177.4	-67	-57	174.4	77.6	0	112.5	L83 I297 M298 K335 E548 L549 Q550 L554 T555 L556	L83-K552 HydrophobicContact CD1-CB 4.46Å; L83-K552 HydrophobicContact CD2-CB 4.3Å; I297-K552 PolarHBondContact O-NZ 3.26Å; M298-K552 HydrophobicContact CE-CB 3.73Å; M298-K552 HydrophobicContact CE-CG 3.77Å; M298-K552 HydrophobicContact SD-CB 4.41Å; M298-K552 HydrophobicContact SD-CG 4.03Å; K335-K552 VanDerWaalsContact CE-CE 3.46Å; E548-K552 WeakPolarHBondContact O-CG 3.45Å; E548-K552 PolarHBondContact O-N 2.87Å; L549-K552 PolarHBondContact O-N 2.8Å; Q550-K552 VanDerWaalsContact C-N 3.29Å; Q550-K552 PolarHBondContact O-N 3.24Å; K552-L554 PolarHBondContact O-N 3.07Å; K552-T555 PolarHBondContact O-N 3.3Å; K552-L556 HydrophobicContact CB-CD1 3.85Å; K552-L556 HydrophobicContact CD-CD1 4.46Å; K552-L556 WeakPolarHBondContact O-CB 3.43Å; K552-L556 WeakPolarHBondContact O-CD1 3.16Å; K552-L556 PolarHBondContact O-N 3.31Å
553	M	88.7	Confident	79.7	Confident	15 Å²	15	80.7 Å²	80.7	7%	0.074	40%	0.399	C	S	.	.	H	α-helix	trans	-58.6	-32.3	175.2	-67.9	173.2	73.9	0	0	112.9	L83 D84 G87 F281 L549 Q550	L83-M553 HydrophobicContact CD1-CG 3.69Å; D84-M553 WeakPolarHBondContact O-CE 3.44Å; G87-M553 VanDerWaalsContact C-CE 3.46Å; G87-M553 WeakPolarHBondContact O-CE 3.44Å; F281-M553 HydrophobicContact CE1-SD 3.88Å; F281-M553 HydrophobicContact CZ-CE 4.37Å; F281-M553 HydrophobicContact CZ-SD 4.17Å; L549-M553 HydrophobicContact CD1-CG 4.4Å; L549-M553 HydrophobicContact CD1-SD 4.35Å; L549-M553 HydrophobicContact CD2-SD 4.49Å; L549-M553 HydrophobicContact CG-CG 4.45Å; L549-M553 HydrophobicContact CG-SD 3.95Å; L549-M553 VanDerWaalsContact O-CG 3.26Å; L549-M553 WeakPolarHBondContact O-CG 3.32Å; L549-M553 PolarHBondContact O-N 3.17Å; Q550-M553 PolarHBondContact O-N 3.37Å
554	L	85.8	Confident	79.3	Confident	116 Å²	116	83.4 Å²	83.4	61%	0.607	41%	0.411	S	S	*	.	H	α-helix	trans	-88.4	-24.6	-179	-66.4	173.2	0	0	0	114.1	Y227 Q550 W551 K552	Y227-L554 HydrophobicContact CE2-CD2 4.17Å; Q550-L554 WeakPolarHBondContact O-CG 3.25Å; Q550-L554 PolarHBondContact O-N 2.89Å; Q550-L554 VanDerWaalsContact O-N 3.09Å; W551-L554 PolarHBondContact O-N 2.59Å; K552-L554 PolarHBondContact O-N 3.07Å
555	T	82.2	Confident	79.2	Confident	62 Å²	62	83.6 Å²	83.6	38%	0.38	40%	0.404	S	S	.	.	H	α-helix	trans	-105.2	-20.2	-172.9	54.2	0	0	0	0	114.4	W551 K552 K557	W551-T555 HydrophobicContact CD2-CG2 4Å; W551-T555 HydrophobicContact CE3-CG2 4.48Å; W551-T555 HydrophobicContact CG-CG2 4.43Å; W551-T555 HydrophobicContact CH2-CG2 4.38Å; W551-T555 HydrophobicContact CZ2-CG2 3.88Å; W551-T555 WeakPolarHBondContact O-CB 3.46Å; W551-T555 WeakPolarHBondContact O-CG2 3.4Å; W551-T555 PolarHBondContact O-N 2.66Å; W551-T555 PolarHBondContact O-OG1 3.06Å; K552-T555 PolarHBondContact O-N 3.3Å; T555-K557 PolarHBondContact O-N 2.96Å; T555-K557 VanDerWaalsContact O-N 3.08Å
556	L	76.2	Confident	79.2	Confident	51 Å²	51	83.1 Å²	83.1	27%	0.267	41%	0.41	S	S	.	.			trans	-64.2	113.5	172.4	-96.9	119.9	0	0	0	109.6	L83 I297 K552	L83-L556 HydrophobicContact CD2-CD1 3.26Å; L83-L556 HydrophobicContact CD2-CG 4.48Å; I297-L556 HydrophobicContact CD1-CD2 4.18Å; I297-L556 HydrophobicContact CG2-CD1 3.83Å; I297-L556 HydrophobicContact CG2-CD2 4.23Å; I297-L556 HydrophobicContact CG2-CG 4.4Å; K552-L556 HydrophobicContact CB-CD1 3.85Å; K552-L556 HydrophobicContact CD-CD1 4.46Å; K552-L556 WeakPolarHBondContact O-CB 3.43Å; K552-L556 WeakPolarHBondContact O-CD1 3.16Å; K552-L556 PolarHBondContact O-N 3.31Å
557	K	65.5	Low	79.1	Confident	155 Å²	155	82 Å²	82	67%	0.674	41%	0.406	S	S	*	.			trans	-97.4	115.8	160.7	-68.2	-170.4	172.1	-162.7	0	106.6	T555 E658	T555-K557 PolarHBondContact O-N 2.96Å; T555-K557 VanDerWaalsContact O-N 3.08Å; K557-E658 IonicContact NZ-OE2 2.74Å
558	N	61.4	Low	79.1	Confident	90 Å²	90	82 Å²	82	48%	0.481	40%	0.403	S	S	.	.			trans	-67.1	137.1	164.5	-86.4	-35.8	0	0	0	107.8	D85 D560	D85-N558 PolarHBondContact OD2-ND2 3.49Å; N558-D560 PolarHBondContact O-N 3.25Å; N558-D560 VanDerWaalsContact O-N 3.08Å
559	E	54.2	Low	79.3	Confident	176 Å²	176	81 Å²	81	82%	0.822	40%	0.4	S	S	*	.			trans	-58.3	117.1	174.8	-72.2	-174.7	164	0	0	108.5	L561	E559-L561 VanDerWaalsContact C-N 3.31Å; E559-L561 PolarHBondContact O-N 3.09Å
560	D	53.6	Low	79.4	Confident	105 Å²	105	86.4 Å²	86.4	56%	0.561	43%	0.428	S	S	*	.			trans	-67.4	80.7	-168.8	-64.1	-60.7	0	0	0	111.5	N558 E562	N558-D560 PolarHBondContact O-N 3.25Å; N558-D560 VanDerWaalsContact O-N 3.08Å; D560-E562 PolarHBondContact O-N 2.92Å; D560-E562 VanDerWaalsContact O-N 3.14Å
561	L	58.9	Low	79.5	Confident	152 Å²	152	87.9 Å²	87.9	80%	0.796	44%	0.435	S	S	*	.			trans	-70.7	104	161.5	-76.8	163.3	0	0	0	107.5	E559 H563 M660	E559-L561 VanDerWaalsContact C-N 3.31Å; E559-L561 PolarHBondContact O-N 3.09Å; L561-H563 PolarHBondContact O-N 3.25Å; L561-H563 VanDerWaalsContact O-N 3.11Å; L561-M660 VanDerWaalsContact O-SD 3.38Å
562	E	66.8	Low	79.7	Confident	187 Å²	187	80.7 Å²	80.7	87%	0.874	41%	0.408	S	S	*	.			trans	-48.4	118.4	176.9	-74.5	-174.2	163.6	0	0	110.9	D560	D560-E562 PolarHBondContact O-N 2.92Å; D560-E562 VanDerWaalsContact O-N 3.14Å
563	H	78.1	Confident	80	Confident	67 Å²	67	82.1 Å²	82.1	31%	0.31	42%	0.416	S	S	.	.			trans	-88.7	134.9	176.2	-170.9	-90.6	0	0	0	110.3	F64 L561 Y565 S566 M660 F662	F64-H563 AromaticContact CE2-CE1 3.61Å; F64-H563 AromaticContact CE2-NE2 3.9Å; F64-H563 AromaticContact CZ-CE1 3.87Å; L561-H563 PolarHBondContact O-N 3.25Å; L561-H563 VanDerWaalsContact O-N 3.11Å; H563-Y565 VanDerWaalsContact C-N 3.26Å; H563-Y565 AromaticContact CE1-CD2 3.64Å; H563-Y565 PolarHBondContact ND1-N 3.24Å; H563-Y565 PolarHBondContact O-N 3.35Å; H563-Y565 VanDerWaalsContact O-N 3.16Å; H563-S566 WeakPolarHBondContact O-CB 3.39Å; H563-S566 PolarHBondContact O-N 3.31Å; H563-S566 PolarHBondContact O-OG 2.94Å; H563-M660 HydrophobicContact CB-SD 4.27Å; H563-F662 HydrophobicContact CB-CE1 4.44Å; H563-F662 HydrophobicContact CB-CZ 4.3Å; H563-F662 AromaticContact ND1-CE1 3.64Å
564	Q	82.6	Confident	80.1	Confident	153 Å²	153	84.1 Å²	84.1	72%	0.715	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-36.9	-175.9	-176.8	-178	-9.9	0	0	113.7	S566	Q564-S566 VanDerWaalsContact C-N 3.33Å
565	Y	85.7	Confident	80.5	Confident	41 Å²	41	78.6 Å²	78.6	16%	0.161	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	13	178.9	-60.8	-79.3	0	0	0	113.8	H563 I579 A580 F662	H563-Y565 VanDerWaalsContact C-N 3.26Å; H563-Y565 AromaticContact CE1-CD2 3.64Å; H563-Y565 PolarHBondContact ND1-N 3.24Å; H563-Y565 PolarHBondContact O-N 3.35Å; H563-Y565 VanDerWaalsContact O-N 3.16Å; Y565-I579 HydrophobicContact CD1-CG2 4.47Å; Y565-I579 HydrophobicContact CG-CG2 4.18Å; Y565-A580 HydrophobicContact CE1-CB 3.98Å; Y565-A580 HydrophobicContact CE2-CB 4.49Å; Y565-A580 WeakPolarHBondContact OH-CB 3.37Å; Y565-F662 WeakPolarHBondContact O-CD1 3.3Å
566	S	89.1	Confident	80.9	Confident	51 Å²	51	78.1 Å²	78.1	36%	0.357	40%	0.395	S	S	.	.			trans	-64	149.7	170.1	65.2	0	0	0	0	109.8	H563 Q564 L661	H563-S566 WeakPolarHBondContact O-CB 3.39Å; H563-S566 PolarHBondContact O-N 3.31Å; H563-S566 PolarHBondContact O-OG 2.94Å; Q564-S566 VanDerWaalsContact C-N 3.33Å; S566-L661 WeakPolarHBondContact CA-O 3.49Å
567	S	91.6	Very high	81.5	Confident	8 Å²	8	77 Å²	77	6%	0.056	39%	0.39	C	S	.	.			trans	-143.1	151.9	-170.9	54.8	0	0	0	0	110.8	E571 W572 L661 F662 L663	S567-E571 WeakPolarHBondContact CA-OE2 2.99Å; S567-E571 WeakPolarHBondContact CB-OE2 3.24Å; S567-W572 PolarHBondContact OG-NE1 2.75Å; S567-L661 PolarHBondContact N-O 3.34Å; S567-L661 PolarHBondContact OG-O 3.19Å; S567-F662 VanDerWaalsContact OG-CA 3.3Å; S567-F662 WeakPolarHBondContact OG-CA 2.81Å; S567-L663 PolarHBondContact OG-N 2.76Å
568	T	92.4	Very high	82.8	Confident	68 Å²	68	69.9 Å²	69.9	42%	0.417	36%	0.36	S	S	.	.			trans	-91.5	152.2	176.2	68.2	0	0	0	0	111.2	L570 E571 W572	T568-L570 PolarHBondContact O-N 2.69Å; T568-L570 VanDerWaalsContact O-N 3.13Å; T568-E571 PolarHBondContact N-OE2 3.18Å; T568-E571 WeakPolarHBondContact O-CB 3.21Å; T568-E571 PolarHBondContact O-N 3.35Å; T568-E571 VanDerWaalsContact O-N 3.15Å; T568-E571 WeakPolarHBondContact OG1-CG 3.5Å; T568-E571 PolarHBondContact OG1-OE1 3.29Å; T568-W572 PolarHBondContact O-NE1 3.02Å
569	P	93.6	Very high	84.3	Confident	15 Å²	15	65.7 Å²	65.7	10%	0.097	34%	0.337	C	S	.	.	H	α-helix	trans	-55.2	-33.5	179.1	-28.7	36.4	0	0	0	114.1	E571 W572 Y651 F654 F655 L661	P569-E571 PolarHBondContact O-N 2.62Å; P569-W572 HydrophobicContact CB-CE3 4.08Å; P569-W572 HydrophobicContact CB-CH2 4.38Å; P569-W572 HydrophobicContact CB-CZ3 4.01Å; P569-W572 HydrophobicContact CG-CH2 4.12Å; P569-W572 HydrophobicContact CG-CZ3 4.21Å; P569-W572 WeakPolarHBondContact O-CB 3.49Å; P569-W572 PolarHBondContact O-N 2.75Å; P569-Y651 HydrophobicContact CB-CE2 3.98Å; P569-Y651 VanDerWaalsContact O-CE2 3.32Å; P569-Y651 WeakPolarHBondContact O-CE2 3.34Å; P569-Y651 PolarHBondContact O-OH 3.4Å; P569-Y651 VanDerWaalsContact O-OH 3.1Å; P569-F654 HydrophobicContact CB-CB 4.45Å; P569-F654 HydrophobicContact CG-CB 3.91Å; P569-F655 HydrophobicContact CB-CD1 4.36Å; P569-F655 HydrophobicContact CB-CD2 4.2Å; P569-F655 HydrophobicContact CB-CE1 3.97Å; P569-F655 HydrophobicContact CB-CE2 3.79Å; P569-F655 HydrophobicContact CB-CG 4.48Å; P569-F655 HydrophobicContact CB-CZ 3.67Å; P569-L661 HydrophobicContact CG-CD1 3.93Å
570	L	93.4	Very high	86.2	Confident	115 Å²	115	57.8 Å²	57.8	60%	0.602	30%	0.302	S	S	*	.	H	α-helix	trans	-66.4	-39	-179	-170.8	64.1	0	0	0	112.5	T568 W572 L573	T568-L570 PolarHBondContact O-N 2.69Å; T568-L570 VanDerWaalsContact O-N 3.13Å; L570-W572 PolarHBondContact O-N 2.91Å; L570-L573 PolarHBondContact O-N 3.5Å
571	E	93.2	Very high	88.1	Confident	54 Å²	54	52.8 Å²	52.8	25%	0.252	28%	0.275	S	S	.	.	H	α-helix	trans	-63.2	-23.6	178	-70	153.9	-155.3	0	0	112.4	S567 T568 P569 T574 L575 D576 T577	S567-E571 WeakPolarHBondContact CA-OE2 2.99Å; S567-E571 WeakPolarHBondContact CB-OE2 3.24Å; T568-E571 PolarHBondContact N-OE2 3.18Å; T568-E571 WeakPolarHBondContact O-CB 3.21Å; T568-E571 PolarHBondContact O-N 3.35Å; T568-E571 VanDerWaalsContact O-N 3.15Å; T568-E571 WeakPolarHBondContact OG1-CG 3.5Å; T568-E571 PolarHBondContact OG1-OE1 3.29Å; P569-E571 PolarHBondContact O-N 2.62Å; E571-T574 PolarHBondContact O-OG1 3.24Å; E571-L575 WeakPolarHBondContact O-CA 3.29Å; E571-L575 PolarHBondContact O-N 2.79Å; E571-D576 HydrophobicContact CB-CB 4.3Å; E571-D576 HydrophobicContact CG-CB 4.39Å; E571-D576 PolarHBondContact O-N 3.44Å; E571-T577 HydrophobicContact CB-CG2 4.1Å; E571-T577 HydrophobicContact CG-CG2 4.29Å; E571-T577 WeakPolarHBondContact OE2-CG2 3.39Å
572	W	94.4	Very high	89.8	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.4	-34.5	178.6	-53.8	-18.3	0	0	0	111.8	S567 T568 P569 L570 L575 W600 Y651 F654 L661 L663 H665 Y666	S567-W572 PolarHBondContact OG-NE1 2.75Å; T568-W572 PolarHBondContact O-NE1 3.02Å; P569-W572 HydrophobicContact CB-CE3 4.08Å; P569-W572 HydrophobicContact CB-CH2 4.38Å; P569-W572 HydrophobicContact CB-CZ3 4.01Å; P569-W572 HydrophobicContact CG-CH2 4.12Å; P569-W572 HydrophobicContact CG-CZ3 4.21Å; P569-W572 WeakPolarHBondContact O-CB 3.49Å; P569-W572 PolarHBondContact O-N 2.75Å; L570-W572 PolarHBondContact O-N 2.91Å; W572-L575 PolarHBondContact O-N 3.09Å; W572-W600 VanDerWaalsContact O-CE2 3.3Å; W572-W600 WeakPolarHBondContact O-CZ2 3.27Å; W572-W600 PolarHBondContact O-NE1 2.83Å; W572-Y651 HydrophobicContact CE3-CD2 4.16Å; W572-Y651 HydrophobicContact CE3-CE2 4.06Å; W572-F654 HydrophobicContact CH2-CB 3.96Å; W572-F654 HydrophobicContact CH2-CD1 4.16Å; W572-F654 HydrophobicContact CH2-CD2 4.2Å; W572-F654 AromaticContact CH2-CG 3.84Å; W572-F654 HydrophobicContact CH2-CG 3.84Å; W572-F654 HydrophobicContact CZ3-CB 3.86Å; W572-F654 HydrophobicContact CZ3-CD1 4.5Å; W572-F654 AromaticContact CZ3-CD2 3.73Å; W572-F654 HydrophobicContact CZ3-CD2 3.73Å; W572-F654 HydrophobicContact CZ3-CE2 4.46Å; W572-F654 AromaticContact CZ3-CG 3.76Å; W572-F654 HydrophobicContact CZ3-CG 3.76Å; W572-L661 HydrophobicContact CH2-CB 4.03Å; W572-L661 HydrophobicContact CH2-CD1 4.01Å; W572-L661 HydrophobicContact CH2-CG 4.44Å; W572-L661 HydrophobicContact CZ2-CB 3.67Å; W572-L661 HydrophobicContact CZ2-CD1 4.29Å; W572-L663 HydrophobicContact CB-CD1 4.24Å; W572-L663 HydrophobicContact CG-CD1 4.19Å; W572-H665 HydrophobicContact CH2-CB 3.94Å; W572-H665 HydrophobicContact CZ2-CB 4.39Å; W572-H665 HydrophobicContact CZ3-CB 4.38Å; W572-Y666 HydrophobicContact CB-CD1 4.17Å; W572-Y666 HydrophobicContact CB-CD2 3.97Å; W572-Y666 HydrophobicContact CB-CG 3.73Å; W572-Y666 HydrophobicContact CD2-CG 4.48Å; W572-Y666 AromaticContact CE3-CD2 3.9Å; W572-Y666 HydrophobicContact CE3-CD2 3.9Å; W572-Y666 HydrophobicContact CE3-CG 4.2Å; W572-Y666 HydrophobicContact CG-CG 4.36Å
573	L	92.6	Very high	91	Very high	43 Å²	43	39.6 Å²	39.6	23%	0.225	21%	0.211	C	C	.	.	H	α-helix	trans	-68.3	-38.7	179.7	-75.1	172.4	0	0	0	112.4	L570 W647 Y651 Y666	L570-L573 PolarHBondContact O-N 3.5Å; L573-W647 HydrophobicContact CD2-CZ2 3.99Å; L573-Y651 HydrophobicContact CD1-CE1 3.9Å; L573-Y651 WeakPolarHBondContact CD1-OH 3.29Å; L573-Y651 HydrophobicContact CD2-CE1 4.46Å; L573-Y651 HydrophobicContact CG-CE1 4.27Å; L573-Y651 HydrophobicContact CG-CE2 4.41Å; L573-Y651 WeakPolarHBondContact CG-OH 3.32Å; L573-Y666 HydrophobicContact CD2-CE2 4.35Å; L573-Y666 WeakPolarHBondContact CD2-OH 3.4Å
574	T	90.9	Very high	91.5	Very high	57 Å²	57	38.6 Å²	38.6	35%	0.35	21%	0.206	S	C	.	.	H	α-helix	trans	-85.5	-14	-179.5	47.3	0	0	0	0	112.5	E571 D576 K737	E571-T574 PolarHBondContact O-OG1 3.24Å; T574-D576 VanDerWaalsContact C-N 3.33Å; T574-D576 VanDerWaalsContact CB-OD2 3.27Å; T574-D576 WeakPolarHBondContact CB-OD2 3.14Å; T574-D576 PolarHBondContact OG1-OD2 3.42Å; T574-K737 PolarHBondContact O-NZ 3.46Å
575	L	93.7	Very high	91.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	48	-169.7	-169.2	67.8	0	0	0	110.5	E571 W572 L594 G595 I597 W600 L663 W740	E571-L575 WeakPolarHBondContact O-CA 3.29Å; E571-L575 PolarHBondContact O-N 2.79Å; W572-L575 PolarHBondContact O-N 3.09Å; L575-L594 HydrophobicContact CD1-CD1 4.33Å; L575-L594 HydrophobicContact CD2-CD1 4.15Å; L575-L594 HydrophobicContact CG-CD1 4.2Å; L575-G595 WeakPolarHBondContact CD2-O 3.39Å; L575-I597 HydrophobicContact CD2-CB 4.4Å; L575-W600 HydrophobicContact CB-CD2 4.34Å; L575-W600 HydrophobicContact CB-CG 4.23Å; L575-W600 HydrophobicContact CD1-CD2 4.07Å; L575-W600 HydrophobicContact CD1-CE3 4.1Å; L575-W600 HydrophobicContact CD1-CH2 3.91Å; L575-W600 HydrophobicContact CD1-CZ2 3.9Å; L575-W600 HydrophobicContact CD1-CZ3 4Å; L575-W600 HydrophobicContact CD2-CB 4.47Å; L575-W600 HydrophobicContact CD2-CD2 4.31Å; L575-W600 HydrophobicContact CD2-CE3 4.4Å; L575-W600 HydrophobicContact CD2-CG 4.38Å; L575-W600 HydrophobicContact CG-CD2 4.48Å; L575-L663 HydrophobicContact CD1-CD1 4.33Å; L575-L663 HydrophobicContact CD1-CD2 4.03Å; L575-W740 HydrophobicContact CD2-CZ2 4.09Å; L575-W740 HydrophobicContact CG-CZ2 4.41Å; L575-W740 PolarHBondContact O-NE1 3.3Å
576	D	90.6	Very high	91.5	Very high	53 Å²	53	42.8 Å²	42.8	28%	0.283	22%	0.223	S	C	.	.			trans	-81.6	-24.3	177.2	-70.1	-26.6	0	0	0	111.7	E571 T574 K737 S739	E571-D576 HydrophobicContact CB-CB 4.3Å; E571-D576 HydrophobicContact CG-CB 4.39Å; E571-D576 PolarHBondContact O-N 3.44Å; T574-D576 VanDerWaalsContact C-N 3.33Å; T574-D576 VanDerWaalsContact CB-OD2 3.27Å; T574-D576 WeakPolarHBondContact CB-OD2 3.14Å; T574-D576 PolarHBondContact OG1-OD2 3.42Å; D576-K737 IonicContact OD1-NZ 2.98Å; D576-K737 PolarHBondContact OD1-NZ 3.37Å; D576-S739 CarbonylContact O-C 3.57Å; D576-S739 WeakPolarHBondContact O-CB 3.49Å; D576-S739 PolarHBondContact O-OG 3.02Å
577	T	89.5	Confident	91.4	Very high	26 Å²	26	42.7 Å²	42.7	16%	0.16	22%	0.221	C	C	.	.			trans	-104.7	149.9	177.8	49.4	0	0	0	0	112.6	E571 L663	E571-T577 HydrophobicContact CB-CG2 4.1Å; E571-T577 HydrophobicContact CG-CG2 4.29Å; E571-T577 WeakPolarHBondContact OE2-CG2 3.39Å; T577-L663 WeakPolarHBondContact O-CD2 3.47Å
578	N	92.7	Very high	91.1	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	23%	0.229	C	C	.	.			trans	-133.1	157.3	168.4	71.6	-49.2	0	0	0	109	H592 L594 W740 D741	N578-H592 PolarHBondContact ND2-ND1 2.65Å; N578-H592 VanDerWaalsContact ND2-ND1 3.17Å; N578-L594 HydrophobicContact CB-CD1 3.96Å; N578-W740 WeakPolarHBondContact OD1-CA 3.41Å; N578-D741 PolarHBondContact ND2-O 2.69Å; N578-D741 PolarHBondContact OD1-N 3.29Å
579	I	93.6	Very high	91	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.7	177.3	-49	179	0	0	0	108.7	F64 Y565 Y581 H592 L593 F662 L663 Y664	F64-I579 HydrophobicContact CD1-CG2 4.29Å; F64-I579 HydrophobicContact CD2-CG2 4.32Å; F64-I579 HydrophobicContact CE1-CG2 4.21Å; F64-I579 HydrophobicContact CE2-CG2 4.26Å; F64-I579 HydrophobicContact CG-CG2 4.35Å; F64-I579 HydrophobicContact CZ-CG2 4.2Å; Y565-I579 HydrophobicContact CD1-CG2 4.47Å; Y565-I579 HydrophobicContact CG-CG2 4.18Å; I579-Y581 HydrophobicContact CB-CD1 4.07Å; I579-Y581 HydrophobicContact CB-CE1 3.85Å; I579-Y581 HydrophobicContact CG2-CD1 3.81Å; I579-Y581 HydrophobicContact CG2-CE1 3.69Å; I579-Y581 PolarHBondContact O-N 3.1Å; I579-H592 CarbonylContact O-C 3.6Å; I579-H592 VanDerWaalsContact O-CA 3.32Å; I579-H592 WeakPolarHBondContact O-CA 3.39Å; I579-L593 HydrophobicContact CB-CB 4.12Å; I579-L593 HydrophobicContact CD1-CD2 3.96Å; I579-L593 HydrophobicContact CG1-CD2 4.36Å; I579-L593 PolarHBondContact N-O 3.29Å; I579-L593 PolarHBondContact O-N 2.98Å; I579-F662 HydrophobicContact CD1-CB 3.91Å; I579-F662 HydrophobicContact CD1-CD1 4.11Å; I579-F662 HydrophobicContact CD1-CG 4.43Å; I579-L663 HydrophobicContact CD1-CB 4.11Å; I579-L663 HydrophobicContact CG1-CB 4.38Å; I579-Y664 HydrophobicContact CD1-CD1 3.91Å; I579-Y664 HydrophobicContact CD1-CE1 4.26Å
580	A	92.9	Very high	91	Very high	10 Å²	10	40.1 Å²	40.1	8%	0.083	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	116.3	172.9	0	0	0	0	0	109.6	Y565 L743	Y565-A580 HydrophobicContact CE1-CB 3.98Å; Y565-A580 HydrophobicContact CE2-CB 4.49Å; Y565-A580 WeakPolarHBondContact OH-CB 3.37Å; A580-L743 HydrophobicContact CB-CD1 3.9Å; A580-L743 HydrophobicContact CB-CG 4.27Å
581	Y	93.9	Very high	91.1	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-41.4	-173.8	-92	25.8	0	0	0	112	V63 F64 I113 T170 Q171 L174 L176 I579 I591 L593	V63-Y581 HydrophobicContact CG1-CD2 4.01Å; V63-Y581 HydrophobicContact CG1-CG 4.12Å; V63-Y581 WeakPolarHBondContact CG1-O 3.49Å; F64-Y581 HydrophobicContact CB-CD1 3.73Å; F64-Y581 HydrophobicContact CB-CE1 4.14Å; F64-Y581 HydrophobicContact CB-CG 4.01Å; F64-Y581 HydrophobicContact CD1-CD1 4.21Å; F64-Y581 AromaticContact CD1-CE1 3.8Å; F64-Y581 HydrophobicContact CD1-CE1 3.8Å; F64-Y581 HydrophobicContact CG-CD1 4.07Å; F64-Y581 HydrophobicContact CG-CE1 4.14Å; F64-Y581 PolarHBondContact N-O 2.98Å; I113-Y581 WeakPolarHBondContact CG2-O 3.47Å; T170-Y581 HydrophobicContact CG2-CD2 3.83Å; T170-Y581 HydrophobicContact CG2-CE2 4.12Å; Q171-Y581 PolarHBondContact NE2-OH 3.48Å; L174-Y581 HydrophobicContact CD1-CD2 3.36Å; L174-Y581 HydrophobicContact CD1-CE2 3.72Å; L176-Y581 HydrophobicContact CD1-CE2 3.6Å; I579-Y581 HydrophobicContact CB-CD1 4.07Å; I579-Y581 HydrophobicContact CB-CE1 3.85Å; I579-Y581 HydrophobicContact CG2-CD1 3.81Å; I579-Y581 HydrophobicContact CG2-CE1 3.69Å; I579-Y581 PolarHBondContact O-N 3.1Å; Y581-I591 WeakPolarHBondContact CA-O 3.45Å; Y581-I591 WeakPolarHBondContact CB-O 3.49Å; Y581-I591 HydrophobicContact CD2-CG2 4.4Å; Y581-I591 PolarHBondContact N-O 3.09Å; Y581-L593 HydrophobicContact CD1-CB 4.13Å; Y581-L593 HydrophobicContact CE1-CB 3.75Å; Y581-L593 HydrophobicContact CE1-CD2 4.38Å; Y581-L593 HydrophobicContact CE2-CB 4.43Å
582	W	93.7	Very high	91.2	Very high	8 Å²	8	32.2 Å²	32.2	3%	0.03	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	145.1	-178.1	172.9	83.1	0	0	0	110.7	Y58 P59 V63 H584 A589 Q590 I591	Y58-W582 HydrophobicContact CE1-CH2 4.43Å; Y58-W582 HydrophobicContact CE1-CZ3 4.48Å; P59-W582 HydrophobicContact CB-CD2 4.04Å; P59-W582 HydrophobicContact CB-CE3 4.29Å; P59-W582 HydrophobicContact CB-CH2 3.8Å; P59-W582 HydrophobicContact CB-CZ2 3.57Å; P59-W582 HydrophobicContact CB-CZ3 4.18Å; P59-W582 HydrophobicContact CG-CD2 4Å; P59-W582 HydrophobicContact CG-CE3 4.25Å; P59-W582 HydrophobicContact CG-CG 4.29Å; P59-W582 HydrophobicContact CG-CZ2 4.43Å; V63-W582 HydrophobicContact CG1-CB 4.16Å; V63-W582 HydrophobicContact CG2-CB 4.12Å; V63-W582 HydrophobicContact CG2-CG 4.45Å; W582-H584 HydrophobicContact CH2-CB 3.44Å; W582-H584 VanDerWaalsContact CH2-CB 3.44Å; W582-H584 AromaticContact CH2-CD2 3.48Å; W582-H584 VanDerWaalsContact CH2-CD2 3.48Å; W582-H584 WeakPolarHBondContact CH2-CD2 3.35Å; W582-H584 AromaticContact CH2-CG 3.85Å; W582-H584 HydrophobicContact CZ2-CB 3.68Å; W582-H584 AromaticContact CZ2-CD2 3.49Å; W582-H584 VanDerWaalsContact CZ2-CD2 3.49Å; W582-H584 WeakPolarHBondContact CZ2-CD2 3.5Å; W582-H584 AromaticContact CZ2-CG 3.94Å; W582-H584 HydrophobicContact CZ3-CB 4.05Å; W582-A589 HydrophobicContact CH2-CB 4.5Å; W582-A589 HydrophobicContact CZ3-CB 4.2Å; W582-Q590 CarbonylContact O-C 3.36Å; W582-Q590 WeakPolarHBondContact O-CA 3.11Å; W582-Q590 VanDerWaalsContact O-CB 3.29Å; W582-Q590 WeakPolarHBondContact O-CB 3.46Å; W582-I591 HydrophobicContact CB-CB 4.32Å; W582-I591 HydrophobicContact CE3-CD1 4.08Å; W582-I591 HydrophobicContact CE3-CG1 3.98Å; W582-I591 PolarHBondContact N-O 2.67Å; W582-I591 PolarHBondContact O-N 3.01Å
583	L	91.7	Very high	91.3	Very high	53 Å²	53	32.2 Å²	32.2	28%	0.277	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.9	171.2	176.5	66.4	0	0	0	108	Q590 L743	L583-Q590 HydrophobicContact CD1-CB 3.96Å; L583-L743 HydrophobicContact CB-CD1 4.21Å; L583-L743 HydrophobicContact CD2-CD1 4.19Å
584	H	89.2	Confident	91.4	Very high	46 Å²	46	30.4 Å²	30.4	21%	0.213	16%	0.156	C	C	.	.			trans	-63.9	139	178.2	-169.9	-95.5	0	0	0	110.4	W582 R586 T587 A589 R745	W582-H584 HydrophobicContact CH2-CB 3.44Å; W582-H584 VanDerWaalsContact CH2-CB 3.44Å; W582-H584 AromaticContact CH2-CD2 3.48Å; W582-H584 VanDerWaalsContact CH2-CD2 3.48Å; W582-H584 WeakPolarHBondContact CH2-CD2 3.35Å; W582-H584 AromaticContact CH2-CG 3.85Å; W582-H584 HydrophobicContact CZ2-CB 3.68Å; W582-H584 AromaticContact CZ2-CD2 3.49Å; W582-H584 VanDerWaalsContact CZ2-CD2 3.49Å; W582-H584 WeakPolarHBondContact CZ2-CD2 3.5Å; W582-H584 AromaticContact CZ2-CG 3.94Å; W582-H584 HydrophobicContact CZ3-CB 4.05Å; H584-R586 VanDerWaalsContact C-N 3.35Å; H584-R586 PolarHBondContact ND1-N 3.26Å; H584-R586 VanDerWaalsContact ND1-N 3.18Å; H584-R586 PolarHBondContact O-N 3.2Å; H584-T587 VanDerWaalsContact CB-OG1 3.22Å; H584-T587 WeakPolarHBondContact CB-OG1 3.33Å; H584-T587 PolarHBondContact ND1-N 3.14Å; H584-T587 PolarHBondContact ND1-OG1 2.93Å; H584-A589 HydrophobicContact CB-CB 4.02Å; H584-A589 WeakPolarHBondContact CB-O 3.09Å; H584-A589 PolarHBondContact N-O 3.32Å; H584-R745 PolarHBondContact O-NH2 2.74Å
585	P	84.5	Confident	91.5	Very high	65 Å²	65	27.7 Å²	27.7	42%	0.422	14%	0.14	S	C	.	.	S	Bend	trans	-65.6	-31.7	-176.1	-24.3	33.6	0	0	0	114.7	R745	P585-R745 VanDerWaalsContact O-CZ 3.28Å; P585-R745 PolarHBondContact O-NH1 2.74Å; P585-R745 PolarHBondContact O-NH2 3.39Å
586	R	84.6	Confident	91.7	Very high	217 Å²	217	27.7 Å²	27.7	82%	0.819	14%	0.14	S	C	*	.	S	Bend	trans	-112.4	-18.7	-174.4	-59.8	-176.7	-172.8	177.9	3.3	114.7	H584	H584-R586 VanDerWaalsContact C-N 3.35Å; H584-R586 PolarHBondContact ND1-N 3.26Å; H584-R586 VanDerWaalsContact ND1-N 3.18Å; H584-R586 PolarHBondContact O-N 3.2Å
587	T	85.9	Confident	91.9	Very high	50 Å²	50	26.7 Å²	26.7	31%	0.307	13%	0.134	S	C	.	.	S	Bend	trans	-121.6	167.7	-176.1	66.2	0	0	0	0	108.4	H584 A589	H584-T587 VanDerWaalsContact CB-OG1 3.22Å; H584-T587 WeakPolarHBondContact CB-OG1 3.33Å; H584-T587 PolarHBondContact ND1-N 3.14Å; H584-T587 PolarHBondContact ND1-OG1 2.93Å; T587-A589 PolarHBondContact O-N 3.16Å
588	S	86.5	Confident	92.2	Very high	32 Å²	32	26.7 Å²	26.7	22%	0.224	13%	0.134	C	C	.	.	S	Bend	trans	-84.6	13.7	174.4	50.5	0	0	0	0	113.3	L726	S588-L726 VanDerWaalsContact CB-O 3.23Å; S588-L726 WeakPolarHBondContact CB-O 3.22Å; S588-L726 PolarHBondContact OG-O 2.94Å
589	A	90.5	Very high	92.4	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.017	13%	0.132	C	C	.	.			trans	-68.2	132.5	174.4	0	0	0	0	0	109.7	W582 H584 T587 G722	W582-A589 HydrophobicContact CH2-CB 4.5Å; W582-A589 HydrophobicContact CZ3-CB 4.2Å; H584-A589 HydrophobicContact CB-CB 4.02Å; H584-A589 WeakPolarHBondContact CB-O 3.09Å; H584-A589 PolarHBondContact N-O 3.32Å; T587-A589 PolarHBondContact O-N 3.16Å; A589-G722 WeakPolarHBondContact CB-O 3.43Å
590	Q	93.5	Very high	92.5	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	152.7	-176.6	57.5	-170.9	-22.4	0	0	111.6	W582 L583 H592 L719 L743	W582-Q590 CarbonylContact O-C 3.36Å; W582-Q590 WeakPolarHBondContact O-CA 3.11Å; W582-Q590 VanDerWaalsContact O-CB 3.29Å; W582-Q590 WeakPolarHBondContact O-CB 3.46Å; L583-Q590 HydrophobicContact CD1-CB 3.96Å; Q590-H592 PolarHBondContact OE1-NE2 2.7Å; Q590-L719 HydrophobicContact CG-CD2 3.79Å; Q590-L743 PolarHBondContact NE2-O 3.05Å; Q590-L743 VanDerWaalsContact OE1-CB 3.27Å; Q590-L743 PolarHBondContact OE1-O 2.68Å
591	I	95.2	Very high	92.6	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.8	175.1	-62	171.2	0	0	0	107.7	P59 T170 Y581 W582 L719	P59-I591 HydrophobicContact CG-CD1 3.76Å; T170-I591 HydrophobicContact CG2-CG2 3.67Å; Y581-I591 WeakPolarHBondContact CA-O 3.45Å; Y581-I591 WeakPolarHBondContact CB-O 3.49Å; Y581-I591 HydrophobicContact CD2-CG2 4.4Å; Y581-I591 PolarHBondContact N-O 3.09Å; W582-I591 HydrophobicContact CB-CB 4.32Å; W582-I591 HydrophobicContact CE3-CD1 4.08Å; W582-I591 HydrophobicContact CE3-CG1 3.98Å; W582-I591 PolarHBondContact N-O 2.67Å; W582-I591 PolarHBondContact O-N 3.01Å; I591-L719 CarbonylContact C-O 3.23Å; I591-L719 VanDerWaalsContact CA-O 3.29Å; I591-L719 WeakPolarHBondContact CA-O 3.29Å
592	H	95	Very high	92.7	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.3	173.7	-70.6	-102.7	0	0	0	110.6	N578 I579 Q590 L594 L719 D741	N578-H592 PolarHBondContact ND2-ND1 2.65Å; N578-H592 VanDerWaalsContact ND2-ND1 3.17Å; I579-H592 CarbonylContact O-C 3.6Å; I579-H592 VanDerWaalsContact O-CA 3.32Å; I579-H592 WeakPolarHBondContact O-CA 3.39Å; Q590-H592 PolarHBondContact OE1-NE2 2.7Å; H592-L594 PolarHBondContact O-N 2.87Å; H592-L719 PolarHBondContact N-O 3.45Å; H592-D741 PolarHBondContact CE1-O 2.89Å
593	L	95.9	Very high	92.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	99.7	161.2	-176.1	67.8	0	0	0	108.3	A167 Q171 I579 Y581 L663 Y664	A167-L593 HydrophobicContact CB-CD1 4.05Å; Q171-L593 HydrophobicContact CG-CD1 3.59Å; Q171-L593 VanDerWaalsContact NE2-CD2 3.28Å; I579-L593 HydrophobicContact CB-CB 4.12Å; I579-L593 HydrophobicContact CD1-CD2 3.96Å; I579-L593 HydrophobicContact CG1-CD2 4.36Å; I579-L593 PolarHBondContact N-O 3.29Å; I579-L593 PolarHBondContact O-N 2.98Å; Y581-L593 HydrophobicContact CD1-CB 4.13Å; Y581-L593 HydrophobicContact CE1-CB 3.75Å; Y581-L593 HydrophobicContact CE1-CD2 4.38Å; Y581-L593 HydrophobicContact CE2-CB 4.43Å; L593-L663 HydrophobicContact CD2-CB 4.13Å; L593-L663 HydrophobicContact CD2-CD2 4.15Å; L593-L663 HydrophobicContact CD2-CG 4.26Å; L593-L663 HydrophobicContact CG-CD2 4.18Å; L593-Y664 HydrophobicContact CD2-CD1 4.33Å
594	L	94.6	Very high	93	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	15%	0.145	C	C	.	.			trans	-141.6	131	176.6	-174.8	68.6	0	0	0	109.4	N166 A167 L575 N578 H592 L716 W740	N166-L594 WeakPolarHBondContact CB-O 3.42Å; A167-L594 PolarHBondContact N-O 3Å; L575-L594 HydrophobicContact CD1-CD1 4.33Å; L575-L594 HydrophobicContact CD2-CD1 4.15Å; L575-L594 HydrophobicContact CG-CD1 4.2Å; N578-L594 HydrophobicContact CB-CD1 3.96Å; H592-L594 PolarHBondContact O-N 2.87Å; L594-L716 HydrophobicContact CD2-CD1 4.19Å; L594-L716 HydrophobicContact CD2-CD2 3.91Å; L594-W740 HydrophobicContact CD1-CD2 3.87Å; L594-W740 HydrophobicContact CD1-CE3 4.3Å; L594-W740 HydrophobicContact CD1-CG 4.35Å; L594-W740 HydrophobicContact CD1-CH2 4.21Å; L594-W740 HydrophobicContact CD1-CZ2 3.76Å; L594-W740 HydrophobicContact CD1-CZ3 4.46Å; L594-W740 HydrophobicContact CD2-CD2 4.23Å; L594-W740 HydrophobicContact CD2-CE3 3.82Å; L594-W740 HydrophobicContact CD2-CH2 4.02Å; L594-W740 HydrophobicContact CD2-CZ2 4.41Å; L594-W740 HydrophobicContact CD2-CZ3 3.71Å; L594-W740 HydrophobicContact CG-CH2 4.5Å; L594-W740 HydrophobicContact CG-CZ2 4.5Å
595	G	94.9	Very high	93.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.			trans	-81	163.4	178.3	0	0	0	0	0	113.4	E165 L575 I597	E165-G595 WeakPolarHBondContact OE1-CA 3.37Å; L575-G595 WeakPolarHBondContact CD2-O 3.39Å; G595-I597 PolarHBondContact O-N 3.46Å; G595-I597 VanDerWaalsContact O-N 3.15Å
596	N	96	Very high	94	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.			trans	-73.3	105.1	170.2	-175.2	-32.2	0	0	0	109.4	E165 V598 I599 W600 A709 V712	E165-N596 PolarHBondContact OE1-N 3.08Å; N596-V598 PolarHBondContact O-N 3.14Å; N596-V598 PolarHBondContact OD1-N 2.85Å; N596-V598 VanDerWaalsContact OD1-N 3.15Å; N596-I599 HydrophobicContact CB-CB 4.14Å; N596-I599 HydrophobicContact CB-CD1 3.91Å; N596-I599 HydrophobicContact CB-CG1 4.01Å; N596-I599 PolarHBondContact O-N 2.75Å; N596-W600 WeakPolarHBondContact O-CB 3.29Å; N596-W600 PolarHBondContact O-N 3.09Å; N596-A709 PolarHBondContact ND2-O 3.25Å; N596-V712 WeakPolarHBondContact OD1-CG1 3.33Å
597	I	94.9	Very high	94.5	Very high	31 Å²	31	18.3 Å²	18.3	16%	0.159	11%	0.108	C	C	.	.	H	α-helix	trans	-54.4	-32.5	-174.6	-163.3	167.7	0	0	0	113.4	L575 G595 T601 V712 W736 W740	L575-I597 HydrophobicContact CD2-CB 4.4Å; G595-I597 PolarHBondContact O-N 3.46Å; G595-I597 VanDerWaalsContact O-N 3.15Å; I597-T601 HydrophobicContact CG1-CG2 4.02Å; I597-T601 WeakPolarHBondContact O-CB 3.36Å; I597-T601 VanDerWaalsContact O-CG2 3.26Å; I597-T601 WeakPolarHBondContact O-CG2 3.19Å; I597-T601 PolarHBondContact O-N 2.93Å; I597-T601 PolarHBondContact O-OG1 3.28Å; I597-V712 HydrophobicContact CG2-CG1 4.41Å; I597-W736 HydrophobicContact CG2-CE3 3.79Å; I597-W736 HydrophobicContact CG2-CZ3 3.58Å; I597-W740 HydrophobicContact CB-CH2 4.47Å; I597-W740 HydrophobicContact CD1-CH2 4.16Å; I597-W740 HydrophobicContact CD1-CZ2 4.03Å
598	V	96.3	Very high	95.1	Very high	26 Å²	26	19.7 Å²	19.7	16%	0.158	12%	0.117	C	C	.	.	H	α-helix	trans	-69.6	-44.6	179.7	175.7	0	0	0	0	110.2	N596 T601 S602 W705 A709 V712	N596-V598 PolarHBondContact O-N 3.14Å; N596-V598 PolarHBondContact OD1-N 2.85Å; N596-V598 VanDerWaalsContact OD1-N 3.15Å; V598-T601 PolarHBondContact O-OG1 2.9Å; V598-S602 WeakPolarHBondContact O-CB 3.18Å; V598-S602 PolarHBondContact O-N 3.35Å; V598-S602 PolarHBondContact O-OG 3.09Å; V598-W705 HydrophobicContact CG1-CZ2 4.42Å; V598-W705 VanDerWaalsContact CG1-NE1 3.31Å; V598-A709 HydrophobicContact CG1-CB 4.19Å; V598-V712 HydrophobicContact CG2-CB 4.4Å; V598-V712 HydrophobicContact CG2-CG2 3.64Å
599	I	96.9	Very high	95.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.4	-45.9	177.2	-58.9	179.7	0	0	0	109.6	L161 I164 E165 N596 S602 A603 I674 A709	L161-I599 HydrophobicContact CD2-CD1 3.97Å; L161-I599 HydrophobicContact CD2-CG1 4.04Å; I164-I599 HydrophobicContact CD1-CD1 4.03Å; I164-I599 HydrophobicContact CG1-CD1 3.67Å; E165-I599 WeakPolarHBondContact OE2-CB 3.38Å; N596-I599 HydrophobicContact CB-CB 4.14Å; N596-I599 HydrophobicContact CB-CD1 3.91Å; N596-I599 HydrophobicContact CB-CG1 4.01Å; N596-I599 PolarHBondContact O-N 2.75Å; I599-S602 WeakPolarHBondContact CA-OG 3.37Å; I599-S602 PolarHBondContact O-N 3.41Å; I599-S602 PolarHBondContact O-OG 3.06Å; I599-A603 WeakPolarHBondContact O-CB 3.35Å; I599-A603 PolarHBondContact O-N 3.34Å; I599-I674 HydrophobicContact CG2-CD1 4.26Å; I599-I674 HydrophobicContact CG2-CG1 4.01Å; I599-A709 HydrophobicContact CD1-CB 4.31Å; I599-A709 HydrophobicContact CG1-CB 3.94Å
600	W	95.6	Very high	95.9	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.1	-52.2	-177.2	-153.9	-70.9	0	0	0	112.5	A167 W572 L575 N596 A603 S604 L663 Y666 L667 L670	A167-W600 HydrophobicContact CB-CZ3 3.98Å; W572-W600 VanDerWaalsContact O-CE2 3.3Å; W572-W600 WeakPolarHBondContact O-CZ2 3.27Å; W572-W600 PolarHBondContact O-NE1 2.83Å; L575-W600 HydrophobicContact CB-CD2 4.34Å; L575-W600 HydrophobicContact CB-CG 4.23Å; L575-W600 HydrophobicContact CD1-CD2 4.07Å; L575-W600 HydrophobicContact CD1-CE3 4.1Å; L575-W600 HydrophobicContact CD1-CH2 3.91Å; L575-W600 HydrophobicContact CD1-CZ2 3.9Å; L575-W600 HydrophobicContact CD1-CZ3 4Å; L575-W600 HydrophobicContact CD2-CB 4.47Å; L575-W600 HydrophobicContact CD2-CD2 4.31Å; L575-W600 HydrophobicContact CD2-CE3 4.4Å; L575-W600 HydrophobicContact CD2-CG 4.38Å; L575-W600 HydrophobicContact CG-CD2 4.48Å; N596-W600 WeakPolarHBondContact O-CB 3.29Å; N596-W600 PolarHBondContact O-N 3.09Å; W600-A603 PolarHBondContact O-N 3.41Å; W600-S604 PolarHBondContact O-N 3.37Å; W600-S604 VanDerWaalsContact O-N 3.1Å; W600-S604 PolarHBondContact O-OG 3.34Å; W600-L663 HydrophobicContact CH2-CD1 3.89Å; W600-L663 HydrophobicContact CH2-CG 4.34Å; W600-L663 HydrophobicContact CZ2-CD1 3.84Å; W600-Y666 AromaticContact CE2-CE1 3.88Å; W600-Y666 HydrophobicContact CH2-CD1 4.01Å; W600-Y666 AromaticContact CZ2-CD1 3.35Å; W600-Y666 HydrophobicContact CZ2-CD1 3.35Å; W600-Y666 AromaticContact CZ2-CE1 3.72Å; W600-Y666 HydrophobicContact CZ2-CE1 3.72Å; W600-Y666 HydrophobicContact CZ2-CG 4.47Å; W600-Y666 AromaticContact NE1-CE1 3.87Å; W600-L667 HydrophobicContact CH2-CD2 4.22Å; W600-L667 HydrophobicContact CZ3-CD2 4.41Å; W600-L670 HydrophobicContact CD2-CD1 4.02Å; W600-L670 HydrophobicContact CD2-CD2 4.3Å; W600-L670 HydrophobicContact CE3-CD1 4.11Å; W600-L670 HydrophobicContact CE3-CD2 3.61Å; W600-L670 HydrophobicContact CG-CD1 4.43Å; W600-L670 HydrophobicContact CH2-CD2 3.86Å; W600-L670 HydrophobicContact CZ2-CD2 4.48Å; W600-L670 HydrophobicContact CZ3-CD2 3.37Å
601	T	95.3	Very high	96	Very high	68 Å²	68	22.1 Å²	22.1	42%	0.417	13%	0.133	S	C	.	.	H	α-helix	trans	-67.5	-40.5	-179.4	54.6	0	0	0	0	112	I597 V598 S604 L605	I597-T601 HydrophobicContact CG1-CG2 4.02Å; I597-T601 WeakPolarHBondContact O-CB 3.36Å; I597-T601 VanDerWaalsContact O-CG2 3.26Å; I597-T601 WeakPolarHBondContact O-CG2 3.19Å; I597-T601 PolarHBondContact O-N 2.93Å; I597-T601 PolarHBondContact O-OG1 3.28Å; V598-T601 PolarHBondContact O-OG1 2.9Å; T601-S604 PolarHBondContact O-N 2.79Å; T601-L605 WeakPolarHBondContact O-CB 3.3Å; T601-L605 PolarHBondContact O-N 2.54Å
602	S	96.6	Very high	96.1	Very high	15 Å²	15	27.6 Å²	27.6	11%	0.105	16%	0.161	C	C	.	.	H	α-helix	trans	-68.7	-34.8	177.3	59.8	0	0	0	0	112.7	V598 I599 L605 A606 L677 W705	V598-S602 WeakPolarHBondContact O-CB 3.18Å; V598-S602 PolarHBondContact O-N 3.35Å; V598-S602 PolarHBondContact O-OG 3.09Å; I599-S602 WeakPolarHBondContact CA-OG 3.37Å; I599-S602 PolarHBondContact O-N 3.41Å; I599-S602 PolarHBondContact O-OG 3.06Å; S602-L605 PolarHBondContact O-N 3.38Å; S602-A606 WeakPolarHBondContact O-CB 3.45Å; S602-A606 PolarHBondContact O-N 3.15Å; S602-L677 VanDerWaalsContact OG-CD2 3.3Å; S602-L677 WeakPolarHBondContact OG-CD2 3.31Å; S602-W705 WeakPolarHBondContact OG-CZ2 3.01Å
603	A	96.4	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-42	175.3	0	0	0	0	0	111.3	I599 W600 A606 T607 Q673 L677	I599-A603 WeakPolarHBondContact O-CB 3.35Å; I599-A603 PolarHBondContact O-N 3.34Å; W600-A603 PolarHBondContact O-N 3.41Å; A603-A606 PolarHBondContact O-N 2.92Å; A603-T607 PolarHBondContact O-N 2.77Å; A603-T607 PolarHBondContact O-OG1 2.91Å; A603-Q673 HydrophobicContact CB-CB 3.8Å; A603-L677 HydrophobicContact CB-CD2 4.42Å
604	S	95.7	Very high	96.2	Very high	22 Å²	22	31.3 Å²	31.3	15%	0.154	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-44.6	169.8	-69.8	0	0	0	0	111.9	W600 T601 A606 T607 V608	W600-S604 PolarHBondContact O-N 3.37Å; W600-S604 VanDerWaalsContact O-N 3.1Å; W600-S604 PolarHBondContact O-OG 3.34Å; T601-S604 PolarHBondContact O-N 2.79Å; S604-A606 PolarHBondContact O-N 3.1Å; S604-T607 WeakPolarHBondContact O-CB 3.47Å; S604-T607 PolarHBondContact O-N 2.92Å; S604-V608 PolarHBondContact O-N 2.69Å; S604-V608 VanDerWaalsContact O-N 3.15Å
605	L	96.3	Very high	96.3	Very high	117 Å²	117	36.4 Å²	36.4	61%	0.613	20%	0.201	S	C	*	.	H	α-helix	trans	-63.6	-40.2	176.9	-177.1	61.7	0	0	0	112.2	T601 S602 T607 V608 A609	T601-L605 WeakPolarHBondContact O-CB 3.3Å; T601-L605 PolarHBondContact O-N 2.54Å; S602-L605 PolarHBondContact O-N 3.38Å; L605-T607 VanDerWaalsContact C-N 3.32Å; L605-T607 PolarHBondContact O-N 3.23Å; L605-V608 PolarHBondContact O-N 3.35Å; L605-A609 WeakPolarHBondContact O-CB 3.32Å; L605-A609 PolarHBondContact O-N 3.16Å
606	A	96.8	Very high	96.3	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-35.2	176.2	0	0	0	0	0	112.2	S602 A603 S604 A609 Y610 L677 V680	S602-A606 WeakPolarHBondContact O-CB 3.45Å; S602-A606 PolarHBondContact O-N 3.15Å; A603-A606 PolarHBondContact O-N 2.92Å; S604-A606 PolarHBondContact O-N 3.1Å; A606-A609 PolarHBondContact O-N 3.21Å; A606-Y610 VanDerWaalsContact O-CB 3.29Å; A606-Y610 WeakPolarHBondContact O-CB 3.42Å; A606-Y610 PolarHBondContact O-N 3.45Å; A606-L677 HydrophobicContact CB-CB 4.2Å; A606-L677 HydrophobicContact CB-CD1 3.55Å; A606-V680 HydrophobicContact CB-CB 4.35Å; A606-V680 HydrophobicContact CB-CG2 4.33Å
607	T	96.8	Very high	96.3	Very high	6 Å²	6	43.9 Å²	43.9	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-47.2	172.4	-56.7	0	0	0	0	110.7	A603 S604 L605 T611 I644 W647 Q673	A603-T607 PolarHBondContact O-N 2.77Å; A603-T607 PolarHBondContact O-OG1 2.91Å; S604-T607 WeakPolarHBondContact O-CB 3.47Å; S604-T607 PolarHBondContact O-N 2.92Å; L605-T607 VanDerWaalsContact C-N 3.32Å; L605-T607 PolarHBondContact O-N 3.23Å; T607-T611 WeakPolarHBondContact O-CB 3.3Å; T607-T611 PolarHBondContact O-N 3.22Å; T607-T611 VanDerWaalsContact O-N 3.12Å; T607-T611 PolarHBondContact O-OG1 2.91Å; T607-I644 HydrophobicContact CG2-CD1 3.48Å; T607-I644 VanDerWaalsContact CG2-CD1 3.48Å; T607-W647 HydrophobicContact CG2-CD2 4.11Å; T607-W647 HydrophobicContact CG2-CE3 3.91Å; T607-W647 HydrophobicContact CG2-CH2 4.36Å; T607-W647 HydrophobicContact CG2-CZ3 4.04Å; T607-Q673 PolarHBondContact OG1-NE2 3.16Å; T607-Q673 VanDerWaalsContact OG1-NE2 3.13Å
608	V	96.7	Very high	96.3	Very high	80 Å²	80	45.5 Å²	45.5	49%	0.485	24%	0.238	S	C	.	.	H	α-helix	trans	-64.8	-47.5	176.2	176.7	0	0	0	0	111.1	S604 L605 Y610 T611 L612	S604-V608 PolarHBondContact O-N 2.69Å; S604-V608 VanDerWaalsContact O-N 3.15Å; L605-V608 PolarHBondContact O-N 3.35Å; V608-Y610 PolarHBondContact O-N 3.19Å; V608-T611 PolarHBondContact O-N 3.17Å; V608-L612 HydrophobicContact CG1-CD1 3.98Å; V608-L612 HydrophobicContact CG1-CG 4.39Å; V608-L612 WeakPolarHBondContact O-CG 3.17Å; V608-L612 PolarHBondContact O-N 2.79Å
609	A	96.9	Very high	96.3	Very high	33 Å²	33	49.8 Å²	49.8	27%	0.273	26%	0.259	S	S	.	.	H	α-helix	trans	-60.7	-44.9	-179.6	0	0	0	0	0	112.2	L605 A606 T611 L612 L613 V680	L605-A609 WeakPolarHBondContact O-CB 3.32Å; L605-A609 PolarHBondContact O-N 3.16Å; A606-A609 PolarHBondContact O-N 3.21Å; A609-T611 VanDerWaalsContact C-N 3.33Å; A609-T611 PolarHBondContact O-N 3.19Å; A609-L612 PolarHBondContact O-N 2.93Å; A609-L613 WeakPolarHBondContact O-CB 3.41Å; A609-L613 VanDerWaalsContact O-CG 3.3Å; A609-L613 WeakPolarHBondContact O-CG 3.36Å; A609-L613 PolarHBondContact O-N 3.43Å; A609-V680 HydrophobicContact CB-CG1 4.34Å
610	Y	97.7	Very high	96.2	Very high	8 Å²	8	53.5 Å²	53.5	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-56.9	-48.8	173.9	178.1	-82.8	0	0	0	110.7	A606 V608 L612 L613 F614 W636 G640 I644 L676 V680	A606-Y610 VanDerWaalsContact O-CB 3.29Å; A606-Y610 WeakPolarHBondContact O-CB 3.42Å; A606-Y610 PolarHBondContact O-N 3.45Å; V608-Y610 PolarHBondContact O-N 3.19Å; Y610-L612 VanDerWaalsContact C-N 3.35Å; Y610-L612 PolarHBondContact O-N 2.87Å; Y610-L613 PolarHBondContact O-N 2.93Å; Y610-F614 HydrophobicContact CD1-CB 4.37Å; Y610-F614 HydrophobicContact CE1-CB 3.9Å; Y610-F614 HydrophobicContact CE1-CD2 4.41Å; Y610-F614 HydrophobicContact CE1-CG 4.27Å; Y610-F614 VanDerWaalsContact O-CB 3.27Å; Y610-F614 WeakPolarHBondContact O-CB 3.5Å; Y610-F614 PolarHBondContact O-N 3.22Å; Y610-W636 HydrophobicContact CD2-CD2 4.41Å; Y610-W636 AromaticContact CD2-CE2 3.74Å; Y610-W636 AromaticContact CD2-CH2 3.38Å; Y610-W636 HydrophobicContact CD2-CH2 3.38Å; Y610-W636 AromaticContact CD2-CZ2 3.19Å; Y610-W636 HydrophobicContact CD2-CZ2 3.19Å; Y610-W636 HydrophobicContact CD2-CZ3 4.05Å; Y610-W636 AromaticContact CE2-CD2 3.69Å; Y610-W636 HydrophobicContact CE2-CD2 3.69Å; Y610-W636 AromaticContact CE2-CE2 3.23Å; Y610-W636 HydrophobicContact CE2-CE3 4.05Å; Y610-W636 HydrophobicContact CE2-CG 4.36Å; Y610-W636 AromaticContact CE2-CH2 3.68Å; Y610-W636 HydrophobicContact CE2-CH2 3.68Å; Y610-W636 AromaticContact CE2-CZ2 3.26Å; Y610-W636 HydrophobicContact CE2-CZ2 3.26Å; Y610-W636 HydrophobicContact CE2-CZ3 4.03Å; Y610-W636 AromaticContact CE2-NE1 3.63Å; Y610-W636 HydrophobicContact CG-CH2 4.47Å; Y610-W636 HydrophobicContact CG-CZ2 4.12Å; Y610-W636 AromaticContact CZ-CE2 3.92Å; Y610-W636 AromaticContact CZ-NE1 3.82Å; Y610-W636 PolarHBondContact OH-O 2.88Å; Y610-G640 VanDerWaalsContact OH-CA 3.23Å; Y610-G640 WeakPolarHBondContact OH-CA 3.27Å; Y610-I644 HydrophobicContact CD1-CD1 3.93Å; Y610-I644 HydrophobicContact CD1-CG1 3.44Å; Y610-I644 VanDerWaalsContact CD1-CG1 3.44Å; Y610-I644 HydrophobicContact CE1-CG1 3.85Å; Y610-I644 HydrophobicContact CG-CD1 4.35Å; Y610-I644 HydrophobicContact CG-CG1 4.15Å; Y610-L676 HydrophobicContact CD2-CD1 3.7Å; Y610-L676 HydrophobicContact CE2-CD1 4.39Å; Y610-L676 HydrophobicContact CG-CD1 4.03Å; Y610-L676 HydrophobicContact CG-CD2 4.41Å; Y610-V680 HydrophobicContact CD2-CG2 4.21Å
611	T	96.8	Very high	96.2	Very high	46 Å²	46	55.7 Å²	55.7	28%	0.282	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-44.4	-176.6	-55.7	0	0	0	0	111.1	T607 V608 A609 F614 F615	T607-T611 WeakPolarHBondContact O-CB 3.3Å; T607-T611 PolarHBondContact O-N 3.22Å; T607-T611 VanDerWaalsContact O-N 3.12Å; T607-T611 PolarHBondContact O-OG1 2.91Å; V608-T611 PolarHBondContact O-N 3.17Å; A609-T611 VanDerWaalsContact C-N 3.33Å; A609-T611 PolarHBondContact O-N 3.19Å; T611-F614 PolarHBondContact O-N 3.24Å; T611-F615 HydrophobicContact CG2-CD2 3.85Å; T611-F615 HydrophobicContact CG2-CE2 3.57Å; T611-F615 WeakPolarHBondContact O-CD2 3.46Å; T611-F615 PolarHBondContact O-N 2.79Å; T611-F615 VanDerWaalsContact O-N 3.08Å
612	L	97.1	Very high	96.1	Very high	116 Å²	116	62.7 Å²	62.7	61%	0.607	30%	0.301	S	S	*	.	H	α-helix	trans	-63.3	-46.4	176	-68.4	173.7	0	0	0	112.1	V608 A609 Y610 F615 W616	V608-L612 HydrophobicContact CG1-CD1 3.98Å; V608-L612 HydrophobicContact CG1-CG 4.39Å; V608-L612 WeakPolarHBondContact O-CG 3.17Å; V608-L612 PolarHBondContact O-N 2.79Å; A609-L612 PolarHBondContact O-N 2.93Å; Y610-L612 VanDerWaalsContact C-N 3.35Å; Y610-L612 PolarHBondContact O-N 2.87Å; L612-F615 PolarHBondContact O-N 2.92Å; L612-W616 VanDerWaalsContact O-CB 3.29Å; L612-W616 WeakPolarHBondContact O-CB 3.45Å; L612-W616 PolarHBondContact O-N 2.73Å
613	L	96.1	Very high	96	Very high	32 Å²	32	71.7 Å²	71.7	17%	0.168	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-41.1	177.6	-73	172.7	0	0	0	111.8	A609 Y610 W616 Y617 W636 L688	A609-L613 WeakPolarHBondContact O-CB 3.41Å; A609-L613 VanDerWaalsContact O-CG 3.3Å; A609-L613 WeakPolarHBondContact O-CG 3.36Å; A609-L613 PolarHBondContact O-N 3.43Å; Y610-L613 PolarHBondContact O-N 2.93Å; L613-W616 WeakPolarHBondContact O-CB 3.24Å; L613-W616 PolarHBondContact O-N 2.98Å; L613-Y617 HydrophobicContact CB-CD2 4.43Å; L613-Y617 HydrophobicContact CB-CE2 3.99Å; L613-Y617 HydrophobicContact CD2-CE2 4.48Å; L613-Y617 WeakPolarHBondContact O-CD2 3.38Å; L613-Y617 VanDerWaalsContact O-CG 3.28Å; L613-Y617 PolarHBondContact O-N 3.29Å; L613-W636 HydrophobicContact CB-CZ2 4.39Å; L613-L688 HydrophobicContact CD2-CD1 4.39Å
614	F	96.2	Very high	95.8	Very high	49 Å²	49	78.7 Å²	78.7	22%	0.215	37%	0.37	C	S	.	.	H	α-helix	trans	-59.6	-50.5	176.9	175.8	-98.2	0	0	0	111.4	Y610 T611 W616 Y617 L618 W633 V637	Y610-F614 HydrophobicContact CD1-CB 4.37Å; Y610-F614 HydrophobicContact CE1-CB 3.9Å; Y610-F614 HydrophobicContact CE1-CD2 4.41Å; Y610-F614 HydrophobicContact CE1-CG 4.27Å; Y610-F614 VanDerWaalsContact O-CB 3.27Å; Y610-F614 WeakPolarHBondContact O-CB 3.5Å; Y610-F614 PolarHBondContact O-N 3.22Å; T611-F614 PolarHBondContact O-N 3.24Å; F614-W616 VanDerWaalsContact C-N 3.33Å; F614-W616 PolarHBondContact O-N 3.24Å; F614-Y617 PolarHBondContact O-N 3.3Å; F614-L618 HydrophobicContact CE1-CD2 4.25Å; F614-L618 VanDerWaalsContact O-CB 3.26Å; F614-L618 WeakPolarHBondContact O-CB 3.49Å; F614-L618 PolarHBondContact O-N 3.02Å; F614-W633 HydrophobicContact CD2-CH2 4.12Å; F614-W633 AromaticContact CE2-CH2 4Å; F614-W633 HydrophobicContact CE2-CH2 4Å; F614-W633 HydrophobicContact CE2-CZ2 4.39Å; F614-V637 HydrophobicContact CE2-CG2 4.03Å
615	F	96.4	Very high	95.7	Very high	111 Å²	111	81.6 Å²	81.6	49%	0.487	38%	0.383	S	S	.	.	H	α-helix	trans	-64.6	-37.7	177	-76.2	-60.7	0	0	0	112.4	T611 L612 L618 L619	T611-F615 HydrophobicContact CG2-CD2 3.85Å; T611-F615 HydrophobicContact CG2-CE2 3.57Å; T611-F615 WeakPolarHBondContact O-CD2 3.46Å; T611-F615 PolarHBondContact O-N 2.79Å; T611-F615 VanDerWaalsContact O-N 3.08Å; L612-F615 PolarHBondContact O-N 2.92Å; F615-L618 HydrophobicContact CD1-CD2 4.48Å; F615-L618 PolarHBondContact O-N 2.98Å; F615-L619 WeakPolarHBondContact O-CB 3.48Å; F615-L619 VanDerWaalsContact O-CG 3.29Å; F615-L619 WeakPolarHBondContact O-CG 3.29Å; F615-L619 PolarHBondContact O-N 2.71Å
616	W	95.5	Very high	95.4	Very high	142 Å²	142	79.6 Å²	79.6	54%	0.538	38%	0.378	S	S	.	.	H	α-helix	trans	-59.8	-50.7	175.1	176.7	-99.2	0	0	0	112.2	L612 L613 F614 L619 R620	L612-W616 VanDerWaalsContact O-CB 3.29Å; L612-W616 WeakPolarHBondContact O-CB 3.45Å; L612-W616 PolarHBondContact O-N 2.73Å; L613-W616 WeakPolarHBondContact O-CB 3.24Å; L613-W616 PolarHBondContact O-N 2.98Å; F614-W616 VanDerWaalsContact C-N 3.33Å; F614-W616 PolarHBondContact O-N 3.24Å; W616-L619 PolarHBondContact O-N 3.04Å; W616-R620 VanDerWaalsContact CE2-CD 3.42Å; W616-R620 WeakPolarHBondContact O-CG 3.46Å; W616-R620 PolarHBondContact O-N 3.02Å
617	Y	95.1	Very high	95.1	Very high	16 Å²	16	82.5 Å²	82.5	6%	0.063	39%	0.393	C	S	.	.	H	α-helix	trans	-64.7	-39.7	177	-64.9	-41.5	0	0	0	112	L613 F614 L619 R620 R621 D627 L628 W633 H683	L613-Y617 HydrophobicContact CB-CD2 4.43Å; L613-Y617 HydrophobicContact CB-CE2 3.99Å; L613-Y617 HydrophobicContact CD2-CE2 4.48Å; L613-Y617 WeakPolarHBondContact O-CD2 3.38Å; L613-Y617 VanDerWaalsContact O-CG 3.28Å; L613-Y617 PolarHBondContact O-N 3.29Å; F614-Y617 PolarHBondContact O-N 3.3Å; Y617-L619 PolarHBondContact O-N 3.1Å; Y617-R620 PolarHBondContact O-N 3Å; Y617-R621 WeakPolarHBondContact O-CB 3.29Å; Y617-R621 PolarHBondContact O-N 2.71Å; Y617-D627 HydrophobicContact CD1-CB 4.12Å; Y617-D627 HydrophobicContact CE1-CB 4.14Å; Y617-L628 HydrophobicContact CD2-CD1 3.9Å; Y617-L628 HydrophobicContact CE2-CD1 3.92Å; Y617-L628 HydrophobicContact CG-CD1 4.23Å; Y617-W633 VanDerWaalsContact CB-CZ3 3.48Å; Y617-W633 HydrophobicContact CD2-CZ3 4.29Å; Y617-W633 HydrophobicContact CG-CZ3 4.29Å; Y617-H683 AromaticContact CE2-CE1 3.88Å; Y617-H683 AromaticContact CE2-NE2 3.29Å; Y617-H683 VanDerWaalsContact CE2-NE2 3.29Å; Y617-H683 WeakPolarHBondContact CE2-NE2 3.36Å; Y617-H683 AromaticContact CZ-NE2 3.45Å; Y617-H683 PolarHBondContact OH-NE2 3.01Å
618	L	94.8	Very high	94.8	Very high	65 Å²	65	82.6 Å²	82.6	34%	0.34	39%	0.393	S	S	.	.	H	α-helix	trans	-60.9	-44.7	177.4	-172.9	67.7	0	0	0	111.5	F614 F615 R622 W633	F614-L618 HydrophobicContact CE1-CD2 4.25Å; F614-L618 VanDerWaalsContact O-CB 3.26Å; F614-L618 WeakPolarHBondContact O-CB 3.49Å; F614-L618 PolarHBondContact O-N 3.02Å; F615-L618 HydrophobicContact CD1-CD2 4.48Å; F615-L618 PolarHBondContact O-N 2.98Å; L618-R622 WeakPolarHBondContact O-CB 3.49Å; L618-R622 WeakPolarHBondContact O-CG 3.24Å; L618-R622 PolarHBondContact O-N 3.08Å; L618-W633 HydrophobicContact CD1-CZ2 4.39Å
619	L	96.1	Very high	94.5	Very high	115 Å²	115	82.8 Å²	82.8	60%	0.602	40%	0.396	S	S	*	.	H	α-helix	trans	-64.2	-42.5	177.3	-76.2	166.3	0	0	0	112.2	F615 W616 Y617 R622 R623	F615-L619 WeakPolarHBondContact O-CB 3.48Å; F615-L619 VanDerWaalsContact O-CG 3.29Å; F615-L619 WeakPolarHBondContact O-CG 3.29Å; F615-L619 PolarHBondContact O-N 2.71Å; W616-L619 PolarHBondContact O-N 3.04Å; Y617-L619 PolarHBondContact O-N 3.1Å; L619-R622 PolarHBondContact O-N 3.11Å; L619-R623 PolarHBondContact O-N 3.14Å
620	R	95.9	Very high	94.3	Very high	79 Å²	79	86.3 Å²	86.3	30%	0.298	41%	0.407	S	S	.	.	H	α-helix	trans	-69.6	-41	178.9	-74.5	175.6	65.9	111	-3.7	112.3	W616 Y617 R622 R623 N624 I625 D627	W616-R620 VanDerWaalsContact CE2-CD 3.42Å; W616-R620 WeakPolarHBondContact O-CG 3.46Å; W616-R620 PolarHBondContact O-N 3.02Å; Y617-R620 PolarHBondContact O-N 3Å; R620-R622 VanDerWaalsContact C-N 3.33Å; R620-R622 PolarHBondContact O-N 2.81Å; R620-R623 CarbonylContact O-C 3.04Å; R620-R623 WeakPolarHBondContact O-CA 3.18Å; R620-R623 WeakPolarHBondContact O-CB 3.4Å; R620-R623 PolarHBondContact O-N 2.85Å; R620-N624 PolarHBondContact O-N 3.29Å; R620-I625 CarbonylContact C-O 3.26Å; R620-I625 VanDerWaalsContact C-O 3.26Å; R620-I625 HydrophobicContact CB-CB 4.3Å; R620-I625 PolarHBondContact O-N 3.4Å; R620-D627 WeakPolarHBondContact CD-OD2 3.41Å; R620-D627 IonicContact CZ-OD1 2.9Å; R620-D627 VanDerWaalsContact CZ-OD1 3.26Å; R620-D627 IonicContact CZ-OD2 3.83Å; R620-D627 VanDerWaalsContact NE-CG 3.31Å; R620-D627 IonicContact NE-OD1 2.66Å; R620-D627 PolarHBondContact NE-OD1 3.43Å; R620-D627 VanDerWaalsContact NE-OD1 3.08Å; R620-D627 IonicContact NE-OD2 3.84Å; R620-D627 PolarHBondContact NE-OD2 2.74Å; R620-D627 IonicContact NH2-OD1 2.66Å; R620-D627 PolarHBondContact NH2-OD1 3.24Å; R620-D627 IonicContact NH2-OD2 3.7Å
621	R	94.3	Very high	94	Very high	46 Å²	46	91.7 Å²	91.7	17%	0.174	44%	0.436	C	S	.	.	H	α-helix	trans	-64.7	-36.9	175.5	-170.4	172	-97	-118.6	-9.4	111.7	Y617 R623 N624 I625 L628 E630 W633	Y617-R621 WeakPolarHBondContact O-CB 3.29Å; Y617-R621 PolarHBondContact O-N 2.71Å; R621-R623 PolarHBondContact O-N 3.43Å; R621-N624 PolarHBondContact O-N 2.85Å; R621-I625 PolarHBondContact N-O 3.28Å; R621-L628 PolarHBondContact NH2-O 2.73Å; R621-E630 IonicContact CZ-OE1 3.16Å; R621-E630 IonicContact CZ-OE2 3.95Å; R621-E630 VanDerWaalsContact NH1-CD 3.26Å; R621-E630 IonicContact NH1-OE1 3.86Å; R621-E630 PolarHBondContact NH1-OE1 2.9Å; R621-E630 IonicContact NH1-OE2 3.57Å; R621-E630 PolarHBondContact NH1-OE2 3.07Å; R621-E630 VanDerWaalsContact NH2-CD 3.33Å; R621-E630 IonicContact NH2-OE1 2.89Å; R621-E630 PolarHBondContact NH2-OE1 2.77Å; R621-E630 IonicContact NH2-OE2 3.85Å; R621-E630 PolarHBondContact NH2-OE2 3.48Å; R621-W633 VanDerWaalsContact CZ-CD1 3.47Å; R621-W633 VanDerWaalsContact CZ-CG 3.45Å
622	R	94.2	Very high	93.7	Very high	215 Å²	215	91 Å²	91	81%	0.811	44%	0.435	S	S	*	.	H	α-helix	trans	-61.6	-24.4	169.2	-78.8	-70.7	-170.5	-178.1	1.4	113.7	L618 L619 R620 N624	L618-R622 WeakPolarHBondContact O-CB 3.49Å; L618-R622 WeakPolarHBondContact O-CG 3.24Å; L618-R622 PolarHBondContact O-N 3.08Å; L619-R622 PolarHBondContact O-N 3.11Å; R620-R622 VanDerWaalsContact C-N 3.33Å; R620-R622 PolarHBondContact O-N 2.81Å; R622-N624 VanDerWaalsContact C-N 3.34Å
623	R	95	Very high	93.6	Very high	203 Å²	203	86.9 Å²	86.9	77%	0.766	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	14.9	172.5	-66.4	-177.8	176.4	-175.8	-0.4	113.1	L619 R620 R621 I625	L619-R623 PolarHBondContact O-N 3.14Å; R620-R623 CarbonylContact O-C 3.04Å; R620-R623 WeakPolarHBondContact O-CA 3.18Å; R620-R623 WeakPolarHBondContact O-CB 3.4Å; R620-R623 PolarHBondContact O-N 2.85Å; R621-R623 PolarHBondContact O-N 3.43Å; R623-I625 PolarHBondContact O-N 3.5Å
624	N	92.3	Very high	93.5	Very high	148 Å²	148	88.1 Å²	88.1	79%	0.791	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	25	-176.2	-64.3	-30.8	0	0	0	114.8	R620 R621 R622	R620-N624 PolarHBondContact O-N 3.29Å; R621-N624 PolarHBondContact O-N 2.85Å; R622-N624 VanDerWaalsContact C-N 3.34Å
625	I	92.8	Very high	93.4	Very high	82 Å²	82	88.6 Å²	88.6	42%	0.421	43%	0.426	S	S	.	.			trans	-101.8	100.7	170	-57.3	171.5	0	0	0	107.7	R620 R621 R623 D627	R620-I625 CarbonylContact C-O 3.26Å; R620-I625 VanDerWaalsContact C-O 3.26Å; R620-I625 HydrophobicContact CB-CB 4.3Å; R620-I625 PolarHBondContact O-N 3.4Å; R621-I625 PolarHBondContact N-O 3.28Å; R623-I625 PolarHBondContact O-N 3.5Å; I625-D627 PolarHBondContact O-N 2.98Å
626	C	90.7	Very high	93.4	Very high	76 Å²	76	83.5 Å²	83.5	51%	0.514	40%	0.403	S	S	.	.			trans	-90.5	96.8	179.1	-64.6	0	0	0	0	110.5	L628	C626-L628 VanDerWaalsContact C-N 3.32Å
627	D	89.2	Confident	93.4	Very high	64 Å²	64	79 Å²	79	34%	0.342	39%	0.391	S	S	.	.			trans	-72.7	-26.4	178	-58.3	-55.5	0	0	0	113	Y617 R620 I625	Y617-D627 HydrophobicContact CD1-CB 4.12Å; Y617-D627 HydrophobicContact CE1-CB 4.14Å; R620-D627 WeakPolarHBondContact CD-OD2 3.41Å; R620-D627 IonicContact CZ-OD1 2.9Å; R620-D627 VanDerWaalsContact CZ-OD1 3.26Å; R620-D627 IonicContact CZ-OD2 3.83Å; R620-D627 VanDerWaalsContact NE-CG 3.31Å; R620-D627 IonicContact NE-OD1 2.66Å; R620-D627 PolarHBondContact NE-OD1 3.43Å; R620-D627 VanDerWaalsContact NE-OD1 3.08Å; R620-D627 IonicContact NE-OD2 3.84Å; R620-D627 PolarHBondContact NE-OD2 2.74Å; R620-D627 IonicContact NH2-OD1 2.66Å; R620-D627 PolarHBondContact NH2-OD1 3.24Å; R620-D627 IonicContact NH2-OD2 3.7Å; I625-D627 PolarHBondContact O-N 2.98Å
628	L	90.8	Very high	93.4	Very high	8 Å²	8	79.5 Å²	79.5	4%	0.042	40%	0.395	C	S	.	.	S	Bend	trans	-118.6	141.8	-177.3	-64.2	165	0	0	0	110.2	Y617 R621 C626 W633 H687	Y617-L628 HydrophobicContact CD2-CD1 3.9Å; Y617-L628 HydrophobicContact CE2-CD1 3.92Å; Y617-L628 HydrophobicContact CG-CD1 4.23Å; R621-L628 PolarHBondContact NH2-O 2.73Å; C626-L628 VanDerWaalsContact C-N 3.32Å; L628-W633 HydrophobicContact CB-CB 4.44Å; L628-W633 HydrophobicContact CD1-CE3 4.1Å; L628-H687 HydrophobicContact CD2-CB 4.21Å; L628-H687 VanDerWaalsContact CD2-CE1 3.5Å; L628-H687 WeakPolarHBondContact CD2-CE1 3.38Å; L628-H687 VanDerWaalsContact CD2-CG 3.48Å; L628-H687 WeakPolarHBondContact CD2-ND1 3.48Å
629	P	91.8	Very high	93.5	Very high	84 Å²	84	76.4 Å²	76.4	55%	0.545	38%	0.379	S	S	.	.			trans	-54.2	150.8	166.4	-21.3	31.5	0	0	0	111.5	D631 A632 W633	P629-D631 VanDerWaalsContact C-N 3.33Å; P629-D631 PolarHBondContact O-N 2.89Å; P629-A632 HydrophobicContact CB-CB 4.38Å; P629-A632 HydrophobicContact CG-CB 4.49Å; P629-A632 PolarHBondContact O-N 2.83Å; P629-W633 PolarHBondContact O-N 2.64Å
630	E	91.4	Very high	93.6	Very high	108 Å²	108	71.1 Å²	71.1	51%	0.505	35%	0.351	S	S	.	.	H	α-helix	trans	-56.3	-43.9	-176.9	-71.6	-56.1	134.8	0	0	113.2	R621 W633 S634	R621-E630 IonicContact CZ-OE1 3.16Å; R621-E630 IonicContact CZ-OE2 3.95Å; R621-E630 VanDerWaalsContact NH1-CD 3.26Å; R621-E630 IonicContact NH1-OE1 3.86Å; R621-E630 PolarHBondContact NH1-OE1 2.9Å; R621-E630 IonicContact NH1-OE2 3.57Å; R621-E630 PolarHBondContact NH1-OE2 3.07Å; R621-E630 VanDerWaalsContact NH2-CD 3.33Å; R621-E630 IonicContact NH2-OE1 2.89Å; R621-E630 PolarHBondContact NH2-OE1 2.77Å; R621-E630 IonicContact NH2-OE2 3.85Å; R621-E630 PolarHBondContact NH2-OE2 3.48Å; E630-W633 WeakPolarHBondContact O-CB 3.47Å; E630-W633 PolarHBondContact O-N 2.84Å; E630-S634 PolarHBondContact O-N 2.85Å
631	D	91.1	Very high	93.6	Very high	120 Å²	120	69.6 Å²	69.6	64%	0.642	36%	0.356	S	S	*	.	H	α-helix	trans	-63.7	-47	179.9	-57.4	-31.3	0	0	0	111.1	P629 W633 S634 H635	P629-D631 VanDerWaalsContact C-N 3.33Å; P629-D631 PolarHBondContact O-N 2.89Å; D631-W633 VanDerWaalsContact C-N 3.3Å; D631-W633 PolarHBondContact O-N 3.04Å; D631-S634 PolarHBondContact O-N 3.02Å; D631-S634 VanDerWaalsContact O-N 3.15Å; D631-S634 PolarHBondContact O-OG 2.71Å; D631-H635 PolarHBondContact O-N 3.42Å; D631-H635 PolarHBondContact O-ND1 2.83Å
632	A	92	Very high	93.7	Very high	31 Å²	31	67.6 Å²	67.6	26%	0.256	35%	0.349	S	S	.	.	H	α-helix	trans	-62.2	-38.5	177.5	0	0	0	0	0	111.9	P629 W636	P629-A632 HydrophobicContact CB-CB 4.38Å; P629-A632 HydrophobicContact CG-CB 4.49Å; P629-A632 PolarHBondContact O-N 2.83Å; A632-W636 VanDerWaalsContact O-CB 3.26Å; A632-W636 WeakPolarHBondContact O-CB 3.37Å; A632-W636 PolarHBondContact O-N 3.05Å
633	W	94.8	Very high	93.9	Very high	30 Å²	30	57.4 Å²	57.4	11%	0.114	31%	0.311	C	S	.	.	H	α-helix	trans	-62.8	-44.8	173.4	173	-104.7	0	0	0	111.8	F614 Y617 L618 R621 L628 P629 E630 D631 H635 W636 V637	F614-W633 HydrophobicContact CD2-CH2 4.12Å; F614-W633 AromaticContact CE2-CH2 4Å; F614-W633 HydrophobicContact CE2-CH2 4Å; F614-W633 HydrophobicContact CE2-CZ2 4.39Å; Y617-W633 VanDerWaalsContact CB-CZ3 3.48Å; Y617-W633 HydrophobicContact CD2-CZ3 4.29Å; Y617-W633 HydrophobicContact CG-CZ3 4.29Å; L618-W633 HydrophobicContact CD1-CZ2 4.39Å; R621-W633 VanDerWaalsContact CZ-CD1 3.47Å; R621-W633 VanDerWaalsContact CZ-CG 3.45Å; L628-W633 HydrophobicContact CB-CB 4.44Å; L628-W633 HydrophobicContact CD1-CE3 4.1Å; P629-W633 PolarHBondContact O-N 2.64Å; E630-W633 WeakPolarHBondContact O-CB 3.47Å; E630-W633 PolarHBondContact O-N 2.84Å; D631-W633 VanDerWaalsContact C-N 3.3Å; D631-W633 PolarHBondContact O-N 3.04Å; W633-H635 PolarHBondContact O-N 3.05Å; W633-W636 WeakPolarHBondContact O-CB 3.47Å; W633-W636 PolarHBondContact O-N 3.22Å; W633-V637 HydrophobicContact CD2-CG2 3.87Å; W633-V637 VanDerWaalsContact CE2-CG2 3.44Å; W633-V637 HydrophobicContact CE3-CG2 4.29Å; W633-V637 HydrophobicContact CG-CG2 4.4Å; W633-V637 HydrophobicContact CH2-CG2 4.05Å; W633-V637 HydrophobicContact CZ2-CG2 3.56Å; W633-V637 HydrophobicContact CZ3-CG2 4.37Å; W633-V637 VanDerWaalsContact O-CG2 3.3Å; W633-V637 WeakPolarHBondContact O-CG2 3.16Å; W633-V637 PolarHBondContact O-N 2.98Å
634	S	93.4	Very high	94	Very high	59 Å²	59	49.2 Å²	49.2	41%	0.413	28%	0.281	S	S	.	.	H	α-helix	trans	-62.1	-43.4	179.5	76.7	0	0	0	0	112.3	E630 D631 V637 L638	E630-S634 PolarHBondContact O-N 2.85Å; D631-S634 PolarHBondContact O-N 3.02Å; D631-S634 VanDerWaalsContact O-N 3.15Å; D631-S634 PolarHBondContact O-OG 2.71Å; S634-V637 PolarHBondContact O-N 3.41Å; S634-L638 WeakPolarHBondContact O-CB 3.07Å; S634-L638 PolarHBondContact O-N 3.05Å
635	H	93.9	Very high	94.2	Very high	59 Å²	59	43.1 Å²	43.1	27%	0.273	25%	0.254	S	S	.	.	H	α-helix	trans	-64.4	-41.3	174.8	-61.4	149.7	0	0	0	111.6	H149 D631 W633 L638 A639	H149-H635 AromaticContact CD2-CD2 3.77Å; H149-H635 AromaticContact CD2-NE2 3.47Å; H149-H635 PolarHBondContact CD2-NE2 3.38Å; H149-H635 AromaticContact CG-NE2 3.8Å; D631-H635 PolarHBondContact O-N 3.42Å; D631-H635 PolarHBondContact O-ND1 2.83Å; W633-H635 PolarHBondContact O-N 3.05Å; H635-L638 PolarHBondContact O-N 3.49Å; H635-A639 VanDerWaalsContact O-CB 3.32Å; H635-A639 WeakPolarHBondContact O-CB 3.34Å; H635-A639 PolarHBondContact O-N 3.03Å
636	W	95.5	Very high	94.4	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.015	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-48.5	175.9	-177.5	-107	0	0	0	111.9	Y610 L613 A632 W633 A639 G640 I679 V680 H683	Y610-W636 HydrophobicContact CD2-CD2 4.41Å; Y610-W636 AromaticContact CD2-CE2 3.74Å; Y610-W636 AromaticContact CD2-CH2 3.38Å; Y610-W636 HydrophobicContact CD2-CH2 3.38Å; Y610-W636 AromaticContact CD2-CZ2 3.19Å; Y610-W636 HydrophobicContact CD2-CZ2 3.19Å; Y610-W636 HydrophobicContact CD2-CZ3 4.05Å; Y610-W636 AromaticContact CE2-CD2 3.69Å; Y610-W636 HydrophobicContact CE2-CD2 3.69Å; Y610-W636 AromaticContact CE2-CE2 3.23Å; Y610-W636 HydrophobicContact CE2-CE3 4.05Å; Y610-W636 HydrophobicContact CE2-CG 4.36Å; Y610-W636 AromaticContact CE2-CH2 3.68Å; Y610-W636 HydrophobicContact CE2-CH2 3.68Å; Y610-W636 AromaticContact CE2-CZ2 3.26Å; Y610-W636 HydrophobicContact CE2-CZ2 3.26Å; Y610-W636 HydrophobicContact CE2-CZ3 4.03Å; Y610-W636 AromaticContact CE2-NE1 3.63Å; Y610-W636 HydrophobicContact CG-CH2 4.47Å; Y610-W636 HydrophobicContact CG-CZ2 4.12Å; Y610-W636 AromaticContact CZ-CE2 3.92Å; Y610-W636 AromaticContact CZ-NE1 3.82Å; Y610-W636 PolarHBondContact OH-O 2.88Å; L613-W636 HydrophobicContact CB-CZ2 4.39Å; A632-W636 VanDerWaalsContact O-CB 3.26Å; A632-W636 WeakPolarHBondContact O-CB 3.37Å; A632-W636 PolarHBondContact O-N 3.05Å; W633-W636 WeakPolarHBondContact O-CB 3.47Å; W633-W636 PolarHBondContact O-N 3.22Å; W636-A639 PolarHBondContact O-N 3.42Å; W636-G640 PolarHBondContact O-N 2.87Å; W636-I679 HydrophobicContact CE3-CG2 4.38Å; W636-I679 HydrophobicContact CZ3-CG2 3.95Å; W636-V680 HydrophobicContact CH2-CG2 4.24Å; W636-H683 HydrophobicContact CE3-CB 4.14Å; W636-H683 AromaticContact CE3-CG 3.85Å; W636-H683 AromaticContact CE3-ND1 3.56Å; W636-H683 HydrophobicContact CH2-CB 3.76Å; W636-H683 AromaticContact CH2-CD2 3.83Å; W636-H683 AromaticContact CH2-CG 3.59Å; W636-H683 HydrophobicContact CZ3-CB 3.37Å; W636-H683 AromaticContact CZ3-CG 3.39Å; W636-H683 AromaticContact CZ3-ND1 3.64Å
637	V	96.1	Very high	94.7	Very high	48 Å²	48	37.7 Å²	37.7	29%	0.291	22%	0.217	S	C	.	.	H	α-helix	trans	-62.9	-43.7	178.1	176.1	0	0	0	0	111.5	F614 W633 S634 G640 A641	F614-V637 HydrophobicContact CE2-CG2 4.03Å; W633-V637 HydrophobicContact CD2-CG2 3.87Å; W633-V637 VanDerWaalsContact CE2-CG2 3.44Å; W633-V637 HydrophobicContact CE3-CG2 4.29Å; W633-V637 HydrophobicContact CG-CG2 4.4Å; W633-V637 HydrophobicContact CH2-CG2 4.05Å; W633-V637 HydrophobicContact CZ2-CG2 3.56Å; W633-V637 HydrophobicContact CZ3-CG2 4.37Å; W633-V637 VanDerWaalsContact O-CG2 3.3Å; W633-V637 WeakPolarHBondContact O-CG2 3.16Å; W633-V637 PolarHBondContact O-N 2.98Å; S634-V637 PolarHBondContact O-N 3.41Å; V637-G640 PolarHBondContact O-N 2.84Å; V637-A641 VanDerWaalsContact O-CB 3.29Å; V637-A641 WeakPolarHBondContact O-CB 3.13Å; V637-A641 PolarHBondContact O-N 2.97Å
638	L	96	Very high	95.1	Very high	26 Å²	26	35.7 Å²	35.7	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-43.4	177.9	-179.3	61.6	0	0	0	111.6	L148 L193 I239 S634 H635 G640 A641 L642	L148-L638 HydrophobicContact CD2-CD2 4.08Å; L148-L638 HydrophobicContact CD2-CG 3.92Å; L193-L638 HydrophobicContact CD2-CD2 4.46Å; I239-L638 HydrophobicContact CG2-CD1 4.22Å; S634-L638 WeakPolarHBondContact O-CB 3.07Å; S634-L638 PolarHBondContact O-N 3.05Å; H635-L638 PolarHBondContact O-N 3.49Å; L638-G640 PolarHBondContact O-N 2.7Å; L638-A641 PolarHBondContact O-N 3.46Å; L638-L642 WeakPolarHBondContact O-CB 3.25Å; L638-L642 PolarHBondContact O-N 2.94Å
639	A	96.7	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-41.9	176.9	0	0	0	0	0	112.3	L148 F150 H635 W636 C643 I679	L148-A639 HydrophobicContact CD1-CB 4.25Å; F150-A639 HydrophobicContact CE2-CB 3.77Å; F150-A639 HydrophobicContact CZ-CB 4.14Å; H635-A639 VanDerWaalsContact O-CB 3.32Å; H635-A639 WeakPolarHBondContact O-CB 3.34Å; H635-A639 PolarHBondContact O-N 3.03Å; W636-A639 PolarHBondContact O-N 3.42Å; A639-C643 WeakPolarHBondContact O-CB 3.46Å; A639-C643 PolarHBondContact O-N 2.89Å; A639-C643 PolarHBondContact O-SG 2.88Å; A639-I679 HydrophobicContact CB-CD1 4.25Å; A639-I679 HydrophobicContact CB-CG2 4.29Å
640	G	96.7	Very high	95.6	Very high	3 Å²	3	34 Å²	34	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-67.2	-45.7	173.5	0	0	0	0	0	113.7	Y610 W636 V637 L638 L642 C643 I644 G645	Y610-G640 VanDerWaalsContact OH-CA 3.23Å; Y610-G640 WeakPolarHBondContact OH-CA 3.27Å; W636-G640 PolarHBondContact O-N 2.87Å; V637-G640 PolarHBondContact O-N 2.84Å; L638-G640 PolarHBondContact O-N 2.7Å; G640-L642 PolarHBondContact O-N 2.76Å; G640-C643 PolarHBondContact O-N 2.9Å; G640-I644 WeakPolarHBondContact O-CA 3.35Å; G640-I644 VanDerWaalsContact O-CB 3.23Å; G640-I644 WeakPolarHBondContact O-CB 2.96Å; G640-I644 PolarHBondContact O-N 3.41Å; G640-G645 PolarHBondContact O-N 3.41Å
641	A	96.5	Very high	95.8	Very high	48 Å²	48	29.2 Å²	29.2	40%	0.397	17%	0.173	S	C	.	.	H	α-helix	trans	-56.7	-40.7	177.1	0	0	0	0	0	110.7	L235 V637 L638 G645	L235-A641 WeakPolarHBondContact CD1-O 3.47Å; V637-A641 VanDerWaalsContact O-CB 3.29Å; V637-A641 WeakPolarHBondContact O-CB 3.13Å; V637-A641 PolarHBondContact O-N 2.97Å; L638-A641 PolarHBondContact O-N 3.46Å; A641-G645 VanDerWaalsContact O-CA 3.23Å; A641-G645 WeakPolarHBondContact O-CA 3.4Å; A641-G645 PolarHBondContact O-N 3.27Å
642	L	97.5	Very high	96	Very high	4 Å²	4	28 Å²	28	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-69.3	-56.7	174.8	-171.4	85.6	0	0	0	112.5	I144 L148 V189 L193 L235 I239 L638 G640 G646	I144-L642 HydrophobicContact CG2-CD2 3.88Å; L148-L642 HydrophobicContact CD1-CD2 3.88Å; L148-L642 HydrophobicContact CD2-CD2 4.36Å; L148-L642 HydrophobicContact CG-CD2 4.49Å; V189-L642 HydrophobicContact CB-CD1 4.43Å; V189-L642 HydrophobicContact CG1-CD1 3.49Å; V189-L642 VanDerWaalsContact CG1-CD1 3.49Å; V189-L642 HydrophobicContact CG1-CD2 3.8Å; V189-L642 HydrophobicContact CG1-CG 4.12Å; V189-L642 HydrophobicContact CG2-CD1 4.16Å; L193-L642 HydrophobicContact CD1-CD2 4.34Å; L235-L642 HydrophobicContact CD2-CD1 4.4Å; I239-L642 HydrophobicContact CD1-CB 4.45Å; I239-L642 HydrophobicContact CD1-CD1 3.74Å; L638-L642 WeakPolarHBondContact O-CB 3.25Å; L638-L642 PolarHBondContact O-N 2.94Å; G640-L642 PolarHBondContact O-N 2.76Å; L642-G646 WeakPolarHBondContact O-CA 3.44Å; L642-G646 PolarHBondContact O-N 3.03Å
643	C	97.5	Very high	96.2	Very high	1 Å²	1	28 Å²	28	1%	0.007	16%	0.164	C	C	.	.	H	α-helix	trans	-81.2	-48.1	-168	-55.7	0	0	0	0	112.4	A639 G640 W647 F672 L676	A639-C643 WeakPolarHBondContact O-CB 3.46Å; A639-C643 PolarHBondContact O-N 2.89Å; A639-C643 PolarHBondContact O-SG 2.88Å; G640-C643 PolarHBondContact O-N 2.9Å; C643-W647 WeakPolarHBondContact O-CB 3.36Å; C643-W647 PolarHBondContact O-N 2.91Å; C643-F672 WeakPolarHBondContact O-CB 3.42Å; C643-L676 HydrophobicContact CB-CB 3.79Å; C643-L676 HydrophobicContact CB-CD1 4.08Å; C643-L676 HydrophobicContact CB-CG 4.38Å
644	I	97.3	Very high	96.1	Very high	30 Å²	30	26.8 Å²	26.8	15%	0.154	16%	0.159	C	C	.	.	H	α-helix	trans	-69.7	-42.9	175	-59.6	-69.5	0	0	0	110.1	T607 Y610 G640 G646 W647 A648 L676	T607-I644 HydrophobicContact CG2-CD1 3.48Å; T607-I644 VanDerWaalsContact CG2-CD1 3.48Å; Y610-I644 HydrophobicContact CD1-CD1 3.93Å; Y610-I644 HydrophobicContact CD1-CG1 3.44Å; Y610-I644 VanDerWaalsContact CD1-CG1 3.44Å; Y610-I644 HydrophobicContact CE1-CG1 3.85Å; Y610-I644 HydrophobicContact CG-CD1 4.35Å; Y610-I644 HydrophobicContact CG-CG1 4.15Å; G640-I644 WeakPolarHBondContact O-CA 3.35Å; G640-I644 VanDerWaalsContact O-CB 3.23Å; G640-I644 WeakPolarHBondContact O-CB 2.96Å; G640-I644 PolarHBondContact O-N 3.41Å; I644-G646 VanDerWaalsContact C-N 3.32Å; I644-G646 PolarHBondContact O-N 3.26Å; I644-W647 HydrophobicContact CG2-CE3 4.49Å; I644-W647 PolarHBondContact O-N 2.75Å; I644-A648 VanDerWaalsContact O-CB 3.26Å; I644-A648 WeakPolarHBondContact O-CB 3.31Å; I644-A648 PolarHBondContact O-N 3.01Å; I644-L676 HydrophobicContact CD1-CD2 3.33Å; I644-L676 HydrophobicContact CG1-CD2 4.04Å
645	G	96.7	Very high	96.2	Very high	21 Å²	21	29.1 Å²	29.1	22%	0.216	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-41.3	176.3	0	0	0	0	0	111.8	G640 A641 A648 L649	G640-G645 PolarHBondContact O-N 3.41Å; A641-G645 VanDerWaalsContact O-CA 3.23Å; A641-G645 WeakPolarHBondContact O-CA 3.4Å; A641-G645 PolarHBondContact O-N 3.27Å; G645-A648 PolarHBondContact O-N 3.17Å; G645-L649 WeakPolarHBondContact O-CB 3.15Å; G645-L649 WeakPolarHBondContact O-CG 3.28Å; G645-L649 PolarHBondContact O-N 2.98Å
646	G	97.1	Very high	96	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-41.9	175.4	0	0	0	0	0	113.1	L642 I644 N650	L642-G646 WeakPolarHBondContact O-CA 3.44Å; L642-G646 PolarHBondContact O-N 3.03Å; I644-G646 VanDerWaalsContact C-N 3.32Å; I644-G646 PolarHBondContact O-N 3.26Å; G646-N650 VanDerWaalsContact O-CB 3.31Å; G646-N650 WeakPolarHBondContact O-CB 3.28Å; G646-N650 PolarHBondContact O-N 2.73Å; G646-N650 VanDerWaalsContact O-N 3.13Å; G646-N650 PolarHBondContact O-ND2 3.03Å
647	W	97.6	Very high	95.6	Very high	44 Å²	44	37 Å²	37	17%	0.167	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-52.2	171.1	169.1	75.4	0	0	0	111.4	L573 T607 C643 I644 L649 N650 Y651 Y666 F672 Q673	L573-W647 HydrophobicContact CD2-CZ2 3.99Å; T607-W647 HydrophobicContact CG2-CD2 4.11Å; T607-W647 HydrophobicContact CG2-CE3 3.91Å; T607-W647 HydrophobicContact CG2-CH2 4.36Å; T607-W647 HydrophobicContact CG2-CZ3 4.04Å; C643-W647 WeakPolarHBondContact O-CB 3.36Å; C643-W647 PolarHBondContact O-N 2.91Å; I644-W647 HydrophobicContact CG2-CE3 4.49Å; I644-W647 PolarHBondContact O-N 2.75Å; W647-L649 PolarHBondContact O-N 3.31Å; W647-N650 CarbonylContact O-C 3.52Å; W647-N650 PolarHBondContact O-N 2.88Å; W647-Y651 AromaticContact CE2-CD1 3.87Å; W647-Y651 HydrophobicContact CH2-CD1 4.14Å; W647-Y651 HydrophobicContact CH2-CE1 4.43Å; W647-Y651 AromaticContact CZ2-CD1 3.54Å; W647-Y651 HydrophobicContact CZ2-CD1 3.54Å; W647-Y651 AromaticContact CZ2-CE1 3.84Å; W647-Y651 HydrophobicContact CZ2-CE1 3.84Å; W647-Y651 HydrophobicContact CZ2-CG 4.42Å; W647-Y651 WeakPolarHBondContact O-CB 3.43Å; W647-Y651 PolarHBondContact O-N 2.9Å; W647-Y666 AromaticContact NE1-CE2 3.85Å; W647-Y666 AromaticContact NE1-CZ 3.92Å; W647-Y666 PolarHBondContact NE1-OH 2.9Å; W647-Y666 VanDerWaalsContact NE1-OH 3.1Å; W647-F672 HydrophobicContact CB-CB 4.44Å; W647-Q673 HydrophobicContact CB-CG 4.09Å; W647-Q673 HydrophobicContact CG-CG 3.77Å; W647-Q673 VanDerWaalsContact NE1-NE2 3.12Å
648	A	96.8	Very high	94.8	Very high	21 Å²	21	42.9 Å²	42.9	17%	0.174	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-46	-176.2	0	0	0	0	0	112.3	I644 G645 N650 Y651 L652	I644-A648 VanDerWaalsContact O-CB 3.26Å; I644-A648 WeakPolarHBondContact O-CB 3.31Å; I644-A648 PolarHBondContact O-N 3.01Å; G645-A648 PolarHBondContact O-N 3.17Å; A648-N650 VanDerWaalsContact C-N 3.33Å; A648-N650 PolarHBondContact O-N 2.91Å; A648-Y651 PolarHBondContact O-N 3.08Å; A648-L652 HydrophobicContact CB-CD1 3.99Å; A648-L652 HydrophobicContact CB-CG 4.41Å; A648-L652 VanDerWaalsContact O-CB 3.3Å; A648-L652 WeakPolarHBondContact O-CB 3.35Å; A648-L652 WeakPolarHBondContact O-CG 3.31Å; A648-L652 PolarHBondContact O-N 3.05Å
649	L	96.5	Very high	94.1	Very high	57 Å²	57	46.4 Å²	46.4	30%	0.298	24%	0.24	S	C	.	.	H	α-helix	trans	-67.6	-32.4	178.7	-73.4	172	0	0	0	112.6	F231 L235 G645 W647 Y651 P653	F231-L649 HydrophobicContact CB-CB 4.41Å; F231-L649 WeakPolarHBondContact CB-O 3.41Å; F231-L649 VanDerWaalsContact CG-O 3.27Å; F231-L649 WeakPolarHBondContact CG-O 3.48Å; L235-L649 HydrophobicContact CB-CD1 3.69Å; L235-L649 HydrophobicContact CD1-CD1 4.03Å; L235-L649 HydrophobicContact CG-CD1 4.49Å; G645-L649 WeakPolarHBondContact O-CB 3.15Å; G645-L649 WeakPolarHBondContact O-CG 3.28Å; G645-L649 PolarHBondContact O-N 2.98Å; W647-L649 PolarHBondContact O-N 3.31Å; L649-Y651 VanDerWaalsContact C-N 3.33Å; L649-P653 WeakPolarHBondContact O-CD 3.42Å; L649-P653 WeakPolarHBondContact O-CG 3.45Å
650	N	96.6	Very high	93.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	3.2	176.1	-73.6	-87.1	0	0	0	113.4	T232 G646 W647 A648 F654 P668 A669	T232-N650 PolarHBondContact OG1-ND2 3.32Å; T232-N650 VanDerWaalsContact OG1-ND2 3.13Å; T232-N650 PolarHBondContact OG1-OD1 3.47Å; G646-N650 VanDerWaalsContact O-CB 3.31Å; G646-N650 WeakPolarHBondContact O-CB 3.28Å; G646-N650 PolarHBondContact O-N 2.73Å; G646-N650 VanDerWaalsContact O-N 3.13Å; G646-N650 PolarHBondContact O-ND2 3.03Å; W647-N650 CarbonylContact O-C 3.52Å; W647-N650 PolarHBondContact O-N 2.88Å; A648-N650 VanDerWaalsContact C-N 3.33Å; A648-N650 PolarHBondContact O-N 2.91Å; N650-F654 VanDerWaalsContact O-CE2 3.29Å; N650-F654 WeakPolarHBondContact O-CE2 3.44Å; N650-P668 HydrophobicContact CB-CB 4.34Å; N650-A669 HydrophobicContact CB-CB 3.79Å
651	Y	96.4	Very high	93.2	Very high	7 Å²	7	50 Å²	50	3%	0.027	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-52.8	-177.6	177.4	-123.5	0	0	0	112.8	P569 W572 L573 W647 A648 L649 P653 F654 F655 Y666	P569-Y651 HydrophobicContact CB-CE2 3.98Å; P569-Y651 VanDerWaalsContact O-CE2 3.32Å; P569-Y651 WeakPolarHBondContact O-CE2 3.34Å; P569-Y651 PolarHBondContact O-OH 3.4Å; P569-Y651 VanDerWaalsContact O-OH 3.1Å; W572-Y651 HydrophobicContact CE3-CD2 4.16Å; W572-Y651 HydrophobicContact CE3-CE2 4.06Å; L573-Y651 HydrophobicContact CD1-CE1 3.9Å; L573-Y651 WeakPolarHBondContact CD1-OH 3.29Å; L573-Y651 HydrophobicContact CD2-CE1 4.46Å; L573-Y651 HydrophobicContact CG-CE1 4.27Å; L573-Y651 HydrophobicContact CG-CE2 4.41Å; L573-Y651 WeakPolarHBondContact CG-OH 3.32Å; W647-Y651 AromaticContact CE2-CD1 3.87Å; W647-Y651 HydrophobicContact CH2-CD1 4.14Å; W647-Y651 HydrophobicContact CH2-CE1 4.43Å; W647-Y651 AromaticContact CZ2-CD1 3.54Å; W647-Y651 HydrophobicContact CZ2-CD1 3.54Å; W647-Y651 AromaticContact CZ2-CE1 3.84Å; W647-Y651 HydrophobicContact CZ2-CE1 3.84Å; W647-Y651 HydrophobicContact CZ2-CG 4.42Å; W647-Y651 WeakPolarHBondContact O-CB 3.43Å; W647-Y651 PolarHBondContact O-N 2.9Å; A648-Y651 PolarHBondContact O-N 3.08Å; L649-Y651 VanDerWaalsContact C-N 3.33Å; Y651-P653 VanDerWaalsContact C-CD 3.46Å; Y651-F654 WeakPolarHBondContact O-CB 2.92Å; Y651-F654 PolarHBondContact O-N 3.47Å; Y651-F655 HydrophobicContact CD1-CE2 4.31Å; Y651-F655 AromaticContact CE1-CE2 3.7Å; Y651-F655 HydrophobicContact CE1-CE2 3.7Å; Y651-F655 HydrophobicContact CE1-CZ 4.18Å; Y651-F655 HydrophobicContact CE2-CE2 4.03Å; Y651-F655 HydrophobicContact CE2-CZ 4.43Å; Y651-F655 AromaticContact CZ-CE2 3.54Å; Y651-F655 AromaticContact CZ-CZ 3.76Å; Y651-F655 WeakPolarHBondContact OH-CZ 3.29Å; Y651-Y666 AromaticContact CD2-CD2 3.72Å; Y651-Y666 HydrophobicContact CD2-CD2 3.72Å; Y651-Y666 AromaticContact CD2-CE2 3.64Å; Y651-Y666 HydrophobicContact CD2-CE2 3.64Å; Y651-Y666 HydrophobicContact CE2-CD2 4.19Å; Y651-Y666 HydrophobicContact CE2-CE2 4.05Å; Y651-Y666 HydrophobicContact CG-CE2 4.13Å
652	L	95.6	Very high	93	Very high	95 Å²	95	48.8 Å²	48.8	50%	0.497	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-61	-36.9	-173.3	-64.2	177.6	0	0	0	114.7	A648 F654 F655	A648-L652 HydrophobicContact CB-CD1 3.99Å; A648-L652 HydrophobicContact CB-CG 4.41Å; A648-L652 VanDerWaalsContact O-CB 3.3Å; A648-L652 WeakPolarHBondContact O-CB 3.35Å; A648-L652 WeakPolarHBondContact O-CG 3.31Å; A648-L652 PolarHBondContact O-N 3.05Å; L652-F654 PolarHBondContact O-N 2.74Å; L652-F654 VanDerWaalsContact O-N 3.13Å; L652-F655 PolarHBondContact O-N 2.81Å
653	P	95.3	Very high	92.9	Very high	32 Å²	32	48.6 Å²	48.6	21%	0.208	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-58.7	-27.9	179.4	-28.4	38.2	0	0	0	113.8	F231 L649 Y651 F655 L656 M657	F231-P653 HydrophobicContact CD1-CB 4.44Å; F231-P653 HydrophobicContact CD1-CG 3.95Å; F231-P653 HydrophobicContact CE1-CB 3.66Å; F231-P653 HydrophobicContact CE1-CG 3.66Å; F231-P653 HydrophobicContact CE2-CB 4.27Å; F231-P653 HydrophobicContact CE2-CG 4.44Å; F231-P653 HydrophobicContact CG-CG 4.48Å; F231-P653 HydrophobicContact CZ-CB 3.56Å; F231-P653 HydrophobicContact CZ-CG 3.93Å; L649-P653 WeakPolarHBondContact O-CD 3.42Å; L649-P653 WeakPolarHBondContact O-CG 3.45Å; Y651-P653 VanDerWaalsContact C-CD 3.46Å; P653-F655 PolarHBondContact O-N 2.79Å; P653-L656 PolarHBondContact O-N 2.82Å; P653-M657 WeakPolarHBondContact O-CG 3.35Å
654	F	93.7	Very high	92.8	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.013	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-65.2	-20.5	-178.8	-71	-66.2	0	0	0	114.1	M228 F231 P569 W572 N650 Y651 L652 L656 M657 L661 H665	M228-F654 HydrophobicContact CE-CE1 4.43Å; M228-F654 HydrophobicContact CE-CE2 3.95Å; M228-F654 HydrophobicContact CE-CZ 3.38Å; M228-F654 HydrophobicContact CG-CZ 4.09Å; M228-F654 HydrophobicContact SD-CZ 4.08Å; F231-F654 HydrophobicContact CE2-CE2 4.24Å; F231-F654 HydrophobicContact CE2-CZ 4.06Å; P569-F654 HydrophobicContact CB-CB 4.45Å; P569-F654 HydrophobicContact CG-CB 3.91Å; W572-F654 HydrophobicContact CH2-CB 3.96Å; W572-F654 HydrophobicContact CH2-CD1 4.16Å; W572-F654 HydrophobicContact CH2-CD2 4.2Å; W572-F654 AromaticContact CH2-CG 3.84Å; W572-F654 HydrophobicContact CH2-CG 3.84Å; W572-F654 HydrophobicContact CZ3-CB 3.86Å; W572-F654 HydrophobicContact CZ3-CD1 4.5Å; W572-F654 AromaticContact CZ3-CD2 3.73Å; W572-F654 HydrophobicContact CZ3-CD2 3.73Å; W572-F654 HydrophobicContact CZ3-CE2 4.46Å; W572-F654 AromaticContact CZ3-CG 3.76Å; W572-F654 HydrophobicContact CZ3-CG 3.76Å; N650-F654 VanDerWaalsContact O-CE2 3.29Å; N650-F654 WeakPolarHBondContact O-CE2 3.44Å; Y651-F654 WeakPolarHBondContact O-CB 2.92Å; Y651-F654 PolarHBondContact O-N 3.47Å; L652-F654 PolarHBondContact O-N 2.74Å; L652-F654 VanDerWaalsContact O-N 3.13Å; F654-L656 PolarHBondContact O-N 1.98Å; F654-M657 HydrophobicContact CD1-SD 3.81Å; F654-M657 HydrophobicContact CE1-SD 3.96Å; F654-M657 PolarHBondContact O-N 2.91Å; F654-L661 HydrophobicContact CB-CD1 4.17Å; F654-L661 HydrophobicContact CD1-CD1 4.31Å; F654-L661 HydrophobicContact CD1-CD2 3.58Å; F654-L661 HydrophobicContact CE1-CD2 4.05Å; F654-H665 HydrophobicContact CE1-CB 4.1Å; F654-H665 AromaticContact CE1-CD2 3.94Å; F654-H665 HydrophobicContact CE2-CB 4.32Å; F654-H665 HydrophobicContact CZ-CB 3.92Å
655	F	93.5	Very high	92.7	Very high	108 Å²	108	48 Å²	48	47%	0.474	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-71.3	-20.3	172.7	-71.6	-87.9	0	0	0	113.3	P569 Y651 L652 P653	P569-F655 HydrophobicContact CB-CD1 4.36Å; P569-F655 HydrophobicContact CB-CD2 4.2Å; P569-F655 HydrophobicContact CB-CE1 3.97Å; P569-F655 HydrophobicContact CB-CE2 3.79Å; P569-F655 HydrophobicContact CB-CG 4.48Å; P569-F655 HydrophobicContact CB-CZ 3.67Å; Y651-F655 HydrophobicContact CD1-CE2 4.31Å; Y651-F655 AromaticContact CE1-CE2 3.7Å; Y651-F655 HydrophobicContact CE1-CE2 3.7Å; Y651-F655 HydrophobicContact CE1-CZ 4.18Å; Y651-F655 HydrophobicContact CE2-CE2 4.03Å; Y651-F655 HydrophobicContact CE2-CZ 4.43Å; Y651-F655 AromaticContact CZ-CE2 3.54Å; Y651-F655 AromaticContact CZ-CZ 3.76Å; Y651-F655 WeakPolarHBondContact OH-CZ 3.29Å; L652-F655 PolarHBondContact O-N 2.81Å; P653-F655 PolarHBondContact O-N 2.79Å
656	L	91.8	Very high	92.6	Very high	157 Å²	157	47 Å²	47	82%	0.822	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-98.6	-2.2	-178.9	-58	175.7	0	0	0	112.4	P653 F654	P653-L656 PolarHBondContact O-N 2.82Å; F654-L656 PolarHBondContact O-N 1.98Å
657	M	85.6	Confident	92.6	Very high	73 Å²	73	47 Å²	47	36%	0.36	23%	0.227	S	C	.	.			trans	-98.3	116.7	-175.3	-62.8	-174.5	85.9	0	0	111.1	P653 F654 R659	P653-M657 WeakPolarHBondContact O-CG 3.35Å; F654-M657 HydrophobicContact CD1-SD 3.81Å; F654-M657 HydrophobicContact CE1-SD 3.96Å; F654-M657 PolarHBondContact O-N 2.91Å; M657-R659 VanDerWaalsContact C-N 3.32Å; M657-R659 HydrophobicContact CB-CG 4.09Å; M657-R659 PolarHBondContact O-N 3.39Å; M657-R659 VanDerWaalsContact O-N 3.14Å
658	E	80.1	Confident	92.6	Very high	170 Å²	170	45 Å²	45	79%	0.794	22%	0.22	S	C	*	.			trans	-84.1	72.7	169.8	-63.8	176.4	177.9	0	0	110	K557	K557-E658 IonicContact NZ-OE2 2.74Å
659	R	80	Confident	92.6	Very high	101 Å²	101	44 Å²	44	38%	0.381	21%	0.212	S	C	.	.	S	Bend	trans	-144.8	164.3	174.8	65.1	179.9	-77.9	-178	1.8	110.1	M657 L661	M657-R659 VanDerWaalsContact C-N 3.32Å; M657-R659 HydrophobicContact CB-CG 4.09Å; M657-R659 PolarHBondContact O-N 3.39Å; M657-R659 VanDerWaalsContact O-N 3.14Å; R659-L661 HydrophobicContact CG-CD2 3.6Å; R659-L661 HydrophobicContact CG-CG 4.24Å; R659-L661 WeakPolarHBondContact O-CG 2.95Å; R659-L661 PolarHBondContact O-N 2.85Å
660	M	85.1	Confident	92.6	Very high	66 Å²	66	41.2 Å²	41.2	33%	0.325	20%	0.197	S	C	.	.			trans	-63	128.6	167.1	-68.6	-174.3	-80.9	0	0	110.8	L561 H563	L561-M660 VanDerWaalsContact O-SD 3.38Å; H563-M660 HydrophobicContact CB-SD 4.27Å
661	L	90.4	Very high	92.7	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.063	20%	0.197	C	C	.	.			trans	-122.4	151.6	-178.8	-56.6	172.6	0	0	0	111.3	S566 S567 P569 W572 F654 R659	S566-L661 WeakPolarHBondContact CA-O 3.49Å; S567-L661 PolarHBondContact N-O 3.34Å; S567-L661 PolarHBondContact OG-O 3.19Å; P569-L661 HydrophobicContact CG-CD1 3.93Å; W572-L661 HydrophobicContact CH2-CB 4.03Å; W572-L661 HydrophobicContact CH2-CD1 4.01Å; W572-L661 HydrophobicContact CH2-CG 4.44Å; W572-L661 HydrophobicContact CZ2-CB 3.67Å; W572-L661 HydrophobicContact CZ2-CD1 4.29Å; F654-L661 HydrophobicContact CB-CD1 4.17Å; F654-L661 HydrophobicContact CD1-CD1 4.31Å; F654-L661 HydrophobicContact CD1-CD2 3.58Å; F654-L661 HydrophobicContact CE1-CD2 4.05Å; R659-L661 HydrophobicContact CG-CD2 3.6Å; R659-L661 HydrophobicContact CG-CG 4.24Å; R659-L661 WeakPolarHBondContact O-CG 2.95Å; R659-L661 PolarHBondContact O-N 2.85Å
662	F	93	Very high	92.8	Very high	23 Å²	23	40.9 Å²	40.9	10%	0.101	20%	0.196	C	C	.	.			trans	-137.2	152.6	-174.6	-64.3	-74.2	0	0	0	110.6	F64 H563 Y565 S567 I579 Y664 H665	F64-F662 HydrophobicContact CZ-CE1 4.39Å; H563-F662 HydrophobicContact CB-CE1 4.44Å; H563-F662 HydrophobicContact CB-CZ 4.3Å; H563-F662 AromaticContact ND1-CE1 3.64Å; Y565-F662 WeakPolarHBondContact O-CD1 3.3Å; S567-F662 VanDerWaalsContact OG-CA 3.3Å; S567-F662 WeakPolarHBondContact OG-CA 2.81Å; I579-F662 HydrophobicContact CD1-CB 3.91Å; I579-F662 HydrophobicContact CD1-CD1 4.11Å; I579-F662 HydrophobicContact CD1-CG 4.43Å; F662-Y664 HydrophobicContact CB-CD1 3.69Å; F662-Y664 HydrophobicContact CB-CD2 4.22Å; F662-Y664 HydrophobicContact CB-CE1 3.36Å; F662-Y664 HydrophobicContact CB-CE2 3.9Å; F662-Y664 HydrophobicContact CB-CG 4.12Å; F662-Y664 VanDerWaalsContact CB-CZ 3.5Å; F662-Y664 HydrophobicContact CD1-CE1 4.47Å; F662-Y664 AromaticContact CD2-CE1 3.96Å; F662-Y664 HydrophobicContact CD2-CE1 3.96Å; F662-Y664 HydrophobicContact CD2-CE2 4.25Å; F662-Y664 AromaticContact CD2-CZ 3.51Å; F662-Y664 WeakPolarHBondContact CD2-OH 3.42Å; F662-Y664 HydrophobicContact CG-CD1 4.47Å; F662-Y664 AromaticContact CG-CE1 3.7Å; F662-Y664 HydrophobicContact CG-CE1 3.7Å; F662-Y664 HydrophobicContact CG-CE2 4.47Å; F662-Y664 AromaticContact CG-CZ 3.71Å; F662-Y664 PolarHBondContact O-N 2.92Å; F662-H665 AromaticContact CD2-CE1 3.92Å; F662-H665 PolarHBondContact N-ND1 3.4Å; F662-H665 VanDerWaalsContact N-ND1 3.11Å; F662-H665 VanDerWaalsContact O-CB 3.31Å; F662-H665 WeakPolarHBondContact O-CB 3.19Å; F662-H665 PolarHBondContact O-N 2.92Å; F662-H665 PolarHBondContact O-ND1 3.12Å
663	L	94.5	Very high	92.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-50.2	-33.6	-179.4	-179.3	64.9	0	0	0	113.8	S567 W572 L575 T577 I579 L593 W600 H665 Y666	S567-L663 PolarHBondContact OG-N 2.76Å; W572-L663 HydrophobicContact CB-CD1 4.24Å; W572-L663 HydrophobicContact CG-CD1 4.19Å; L575-L663 HydrophobicContact CD1-CD1 4.33Å; L575-L663 HydrophobicContact CD1-CD2 4.03Å; T577-L663 WeakPolarHBondContact O-CD2 3.47Å; I579-L663 HydrophobicContact CD1-CB 4.11Å; I579-L663 HydrophobicContact CG1-CB 4.38Å; L593-L663 HydrophobicContact CD2-CB 4.13Å; L593-L663 HydrophobicContact CD2-CD2 4.15Å; L593-L663 HydrophobicContact CD2-CG 4.26Å; L593-L663 HydrophobicContact CG-CD2 4.18Å; W600-L663 HydrophobicContact CH2-CD1 3.89Å; W600-L663 HydrophobicContact CH2-CG 4.34Å; W600-L663 HydrophobicContact CZ2-CD1 3.84Å; L663-H665 PolarHBondContact O-N 2.94Å; L663-Y666 WeakPolarHBondContact O-CB 3.27Å; L663-Y666 PolarHBondContact O-N 3.03Å
664	Y	95	Very high	92.9	Very high	15 Å²	15	34.9 Å²	34.9	6%	0.059	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-66	-19.5	-179.4	57.2	-115.3	0	0	0	114.4	F64 D65 E178 I579 L593 F662 Y666 L667	F64-Y664 HydrophobicContact CE1-CE1 4.16Å; D65-Y664 WeakPolarHBondContact OD2-CE1 3.43Å; D65-Y664 PolarHBondContact OD2-OH 3.06Å; E178-Y664 HydrophobicContact CG-CD2 4.25Å; E178-Y664 HydrophobicContact CG-CG 4.5Å; I579-Y664 HydrophobicContact CD1-CD1 3.91Å; I579-Y664 HydrophobicContact CD1-CE1 4.26Å; L593-Y664 HydrophobicContact CD2-CD1 4.33Å; F662-Y664 HydrophobicContact CB-CD1 3.69Å; F662-Y664 HydrophobicContact CB-CD2 4.22Å; F662-Y664 HydrophobicContact CB-CE1 3.36Å; F662-Y664 HydrophobicContact CB-CE2 3.9Å; F662-Y664 HydrophobicContact CB-CG 4.12Å; F662-Y664 VanDerWaalsContact CB-CZ 3.5Å; F662-Y664 HydrophobicContact CD1-CE1 4.47Å; F662-Y664 AromaticContact CD2-CE1 3.96Å; F662-Y664 HydrophobicContact CD2-CE1 3.96Å; F662-Y664 HydrophobicContact CD2-CE2 4.25Å; F662-Y664 AromaticContact CD2-CZ 3.51Å; F662-Y664 WeakPolarHBondContact CD2-OH 3.42Å; F662-Y664 HydrophobicContact CG-CD1 4.47Å; F662-Y664 AromaticContact CG-CE1 3.7Å; F662-Y664 HydrophobicContact CG-CE1 3.7Å; F662-Y664 HydrophobicContact CG-CE2 4.47Å; F662-Y664 AromaticContact CG-CZ 3.71Å; F662-Y664 PolarHBondContact O-N 2.92Å; Y664-Y666 PolarHBondContact O-N 2.83Å; Y664-L667 WeakPolarHBondContact O-CG 3.45Å; Y664-L667 PolarHBondContact O-N 3.23Å
665	H	94.9	Very high	93.1	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.014	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-64.8	-24.9	172.5	-66.6	91.6	0	0	0	112.1	M228 W572 F654 F662 L663 L667 P668	M228-H665 HydrophobicContact CE-CB 3.94Å; M228-H665 WeakPolarHBondContact CE-O 3.33Å; M228-H665 VanDerWaalsContact SD-CD2 3.53Å; W572-H665 HydrophobicContact CH2-CB 3.94Å; W572-H665 HydrophobicContact CZ2-CB 4.39Å; W572-H665 HydrophobicContact CZ3-CB 4.38Å; F654-H665 HydrophobicContact CE1-CB 4.1Å; F654-H665 AromaticContact CE1-CD2 3.94Å; F654-H665 HydrophobicContact CE2-CB 4.32Å; F654-H665 HydrophobicContact CZ-CB 3.92Å; F662-H665 AromaticContact CD2-CE1 3.92Å; F662-H665 PolarHBondContact N-ND1 3.4Å; F662-H665 VanDerWaalsContact N-ND1 3.11Å; F662-H665 VanDerWaalsContact O-CB 3.31Å; F662-H665 WeakPolarHBondContact O-CB 3.19Å; F662-H665 PolarHBondContact O-N 2.92Å; F662-H665 PolarHBondContact O-ND1 3.12Å; L663-H665 PolarHBondContact O-N 2.94Å; H665-L667 VanDerWaalsContact C-N 3.34Å; H665-P668 WeakPolarHBondContact O-CD 3.33Å
666	Y	96.3	Very high	93.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-77.6	-17.7	179	-172	-113.3	0	0	0	113.6	W572 L573 W600 W647 Y651 L663 Y664 A669 L670 Q673	W572-Y666 HydrophobicContact CB-CD1 4.17Å; W572-Y666 HydrophobicContact CB-CD2 3.97Å; W572-Y666 HydrophobicContact CB-CG 3.73Å; W572-Y666 HydrophobicContact CD2-CG 4.48Å; W572-Y666 AromaticContact CE3-CD2 3.9Å; W572-Y666 HydrophobicContact CE3-CD2 3.9Å; W572-Y666 HydrophobicContact CE3-CG 4.2Å; W572-Y666 HydrophobicContact CG-CG 4.36Å; L573-Y666 HydrophobicContact CD2-CE2 4.35Å; L573-Y666 WeakPolarHBondContact CD2-OH 3.4Å; W600-Y666 AromaticContact CE2-CE1 3.88Å; W600-Y666 HydrophobicContact CH2-CD1 4.01Å; W600-Y666 AromaticContact CZ2-CD1 3.35Å; W600-Y666 HydrophobicContact CZ2-CD1 3.35Å; W600-Y666 AromaticContact CZ2-CE1 3.72Å; W600-Y666 HydrophobicContact CZ2-CE1 3.72Å; W600-Y666 HydrophobicContact CZ2-CG 4.47Å; W600-Y666 AromaticContact NE1-CE1 3.87Å; W647-Y666 AromaticContact NE1-CE2 3.85Å; W647-Y666 AromaticContact NE1-CZ 3.92Å; W647-Y666 PolarHBondContact NE1-OH 2.9Å; W647-Y666 VanDerWaalsContact NE1-OH 3.1Å; Y651-Y666 AromaticContact CD2-CD2 3.72Å; Y651-Y666 HydrophobicContact CD2-CD2 3.72Å; Y651-Y666 AromaticContact CD2-CE2 3.64Å; Y651-Y666 HydrophobicContact CD2-CE2 3.64Å; Y651-Y666 HydrophobicContact CE2-CD2 4.19Å; Y651-Y666 HydrophobicContact CE2-CE2 4.05Å; Y651-Y666 HydrophobicContact CG-CE2 4.13Å; L663-Y666 WeakPolarHBondContact O-CB 3.27Å; L663-Y666 PolarHBondContact O-N 3.03Å; Y664-Y666 PolarHBondContact O-N 2.83Å; Y666-A669 HydrophobicContact CD2-CB 4Å; Y666-A669 HydrophobicContact CE2-CB 3.93Å; Y666-A669 WeakPolarHBondContact O-CA 3.14Å; Y666-A669 WeakPolarHBondContact O-CB 3.34Å; Y666-A669 PolarHBondContact O-N 2.87Å; Y666-L670 HydrophobicContact CD1-CB 3.97Å; Y666-L670 HydrophobicContact CE1-CB 3.89Å; Y666-L670 HydrophobicContact CE1-CD1 4.15Å; Y666-L670 PolarHBondContact O-N 3.26Å; Y666-Q673 PolarHBondContact OH-NE2 3.26Å; Y666-Q673 PolarHBondContact OH-OE1 3.24Å
667	L	96.8	Very high	93.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63	-38.3	-169.2	-60.2	174	0	0	0	114.6	A167 L168 Q171 I182 W600 Y664 H665 A669 L670 T671	A167-L667 HydrophobicContact CB-CD2 3.82Å; L168-L667 HydrophobicContact CD2-CB 4.26Å; L168-L667 HydrophobicContact CD2-CD2 4.38Å; Q171-L667 HydrophobicContact CB-CD1 4.37Å; Q171-L667 HydrophobicContact CG-CD1 3.48Å; Q171-L667 VanDerWaalsContact CG-CD1 3.48Å; I182-L667 HydrophobicContact CD1-CB 3.93Å; W600-L667 HydrophobicContact CH2-CD2 4.22Å; W600-L667 HydrophobicContact CZ3-CD2 4.41Å; Y664-L667 WeakPolarHBondContact O-CG 3.45Å; Y664-L667 PolarHBondContact O-N 3.23Å; H665-L667 VanDerWaalsContact C-N 3.34Å; L667-A669 VanDerWaalsContact C-N 3.32Å; L667-A669 PolarHBondContact O-N 3.43Å; L667-L670 HydrophobicContact CD2-CD2 4Å; L667-L670 PolarHBondContact O-N 3.49Å; L667-T671 VanDerWaalsContact O-CG2 3.26Å; L667-T671 WeakPolarHBondContact O-CG2 3.43Å; L667-T671 PolarHBondContact O-N 3.08Å
668	P	97	Very high	94.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-56.8	-44.6	169.5	-26.3	36.5	0	0	0	112.4	L181 I182 M228 N650 H665 T671 F672	L181-P668 HydrophobicContact CD2-CG 4.12Å; I182-P668 HydrophobicContact CG1-CG 4.28Å; M228-P668 HydrophobicContact CE-CG 4.22Å; N650-P668 HydrophobicContact CB-CB 4.34Å; H665-P668 WeakPolarHBondContact O-CD 3.33Å; P668-T671 PolarHBondContact O-N 3.32Å; P668-T671 PolarHBondContact O-OG1 2.82Å; P668-F672 VanDerWaalsContact O-CD2 3.25Å; P668-F672 WeakPolarHBondContact O-CD2 3.44Å
669	A	97.3	Very high	95	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65	-41.8	177.4	0	0	0	0	0	112.1	N650 Y666 L667 T671 F672 Q673	N650-A669 HydrophobicContact CB-CB 3.79Å; Y666-A669 HydrophobicContact CD2-CB 4Å; Y666-A669 HydrophobicContact CE2-CB 3.93Å; Y666-A669 WeakPolarHBondContact O-CA 3.14Å; Y666-A669 WeakPolarHBondContact O-CB 3.34Å; Y666-A669 PolarHBondContact O-N 2.87Å; L667-A669 VanDerWaalsContact C-N 3.32Å; L667-A669 PolarHBondContact O-N 3.43Å; A669-T671 VanDerWaalsContact C-N 3.29Å; A669-T671 PolarHBondContact O-N 2.94Å; A669-F672 PolarHBondContact O-N 3.4Å; A669-Q673 PolarHBondContact O-N 2.91Å
670	L	97	Very high	95.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-58	-40.7	175.7	179.1	67.8	0	0	0	111.7	E165 W600 Y666 L667 F672 Q673 I674	E165-L670 HydrophobicContact CG-CD2 4.32Å; W600-L670 HydrophobicContact CD2-CD1 4.02Å; W600-L670 HydrophobicContact CD2-CD2 4.3Å; W600-L670 HydrophobicContact CE3-CD1 4.11Å; W600-L670 HydrophobicContact CE3-CD2 3.61Å; W600-L670 HydrophobicContact CG-CD1 4.43Å; W600-L670 HydrophobicContact CH2-CD2 3.86Å; W600-L670 HydrophobicContact CZ2-CD2 4.48Å; W600-L670 HydrophobicContact CZ3-CD2 3.37Å; Y666-L670 HydrophobicContact CD1-CB 3.97Å; Y666-L670 HydrophobicContact CE1-CB 3.89Å; Y666-L670 HydrophobicContact CE1-CD1 4.15Å; Y666-L670 PolarHBondContact O-N 3.26Å; L667-L670 HydrophobicContact CD2-CD2 4Å; L667-L670 PolarHBondContact O-N 3.49Å; L670-F672 VanDerWaalsContact C-N 3.27Å; L670-F672 PolarHBondContact O-N 2.97Å; L670-Q673 PolarHBondContact O-N 3.17Å; L670-I674 HydrophobicContact CD1-CD1 4.34Å; L670-I674 HydrophobicContact CD1-CG1 4.32Å; L670-I674 HydrophobicContact CD2-CD1 4.28Å; L670-I674 HydrophobicContact CG-CD1 3.86Å; L670-I674 HydrophobicContact CG-CG1 4.26Å; L670-I674 WeakPolarHBondContact O-CG1 3.43Å; L670-I674 PolarHBondContact O-N 2.79Å
671	T	97.4	Very high	96.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-59.6	-39.6	179.9	63.6	0	0	0	0	111.8	M162 L168 I182 L667 P668 A669 I674 L675	M162-T671 HydrophobicContact CE-CG2 4.27Å; L168-T671 HydrophobicContact CD1-CG2 4.11Å; L168-T671 HydrophobicContact CD2-CG2 4.05Å; I182-T671 HydrophobicContact CD1-CG2 4.1Å; I182-T671 HydrophobicContact CG1-CG2 4.3Å; I182-T671 HydrophobicContact CG2-CG2 3.7Å; L667-T671 VanDerWaalsContact O-CG2 3.26Å; L667-T671 WeakPolarHBondContact O-CG2 3.43Å; L667-T671 PolarHBondContact O-N 3.08Å; P668-T671 PolarHBondContact O-N 3.32Å; P668-T671 PolarHBondContact O-OG1 2.82Å; A669-T671 VanDerWaalsContact C-N 3.29Å; A669-T671 PolarHBondContact O-N 2.94Å; T671-I674 PolarHBondContact O-N 2.75Å; T671-L675 WeakPolarHBondContact O-CG 3.3Å; T671-L675 PolarHBondContact O-N 3.35Å; T671-L675 VanDerWaalsContact O-N 3.09Å
672	F	97.8	Very high	96.5	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-67.2	-35.8	174.6	-71.4	-72.9	0	0	0	113	V189 T232 L235 C643 W647 P668 A669 L670 L675 L676	V189-F672 HydrophobicContact CG2-CE1 4.05Å; V189-F672 HydrophobicContact CG2-CZ 4.16Å; T232-F672 HydrophobicContact CG2-CZ 4Å; L235-F672 HydrophobicContact CD2-CE1 4.02Å; L235-F672 HydrophobicContact CD2-CZ 4.04Å; C643-F672 WeakPolarHBondContact O-CB 3.42Å; W647-F672 HydrophobicContact CB-CB 4.44Å; P668-F672 VanDerWaalsContact O-CD2 3.25Å; P668-F672 WeakPolarHBondContact O-CD2 3.44Å; A669-F672 PolarHBondContact O-N 3.4Å; L670-F672 VanDerWaalsContact C-N 3.27Å; L670-F672 PolarHBondContact O-N 2.97Å; F672-L675 HydrophobicContact CD1-CD1 4.42Å; F672-L675 PolarHBondContact O-N 3.45Å; F672-L676 PolarHBondContact O-N 2.9Å; F672-L676 VanDerWaalsContact O-N 3.14Å
673	Q	97	Very high	96.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-67.9	-37.7	173.6	-61.1	-174.4	-51.3	0	0	112.3	A603 T607 W647 Y666 A669 L670 L675 L676 L677	A603-Q673 HydrophobicContact CB-CB 3.8Å; T607-Q673 PolarHBondContact OG1-NE2 3.16Å; T607-Q673 VanDerWaalsContact OG1-NE2 3.13Å; W647-Q673 HydrophobicContact CB-CG 4.09Å; W647-Q673 HydrophobicContact CG-CG 3.77Å; W647-Q673 VanDerWaalsContact NE1-NE2 3.12Å; Y666-Q673 PolarHBondContact OH-NE2 3.26Å; Y666-Q673 PolarHBondContact OH-OE1 3.24Å; A669-Q673 PolarHBondContact O-N 2.91Å; L670-Q673 PolarHBondContact O-N 3.17Å; Q673-L675 VanDerWaalsContact C-N 3.3Å; Q673-L675 PolarHBondContact O-N 2.98Å; Q673-L676 WeakPolarHBondContact O-CB 3.4Å; Q673-L676 PolarHBondContact O-N 2.75Å; Q673-L676 VanDerWaalsContact O-N 3.16Å; Q673-L677 PolarHBondContact O-N 2.76Å; Q673-L677 VanDerWaalsContact O-N 3.07Å
674	I	97.4	Very high	96.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-63	-39	176.2	-68.7	170.9	0	0	0	110.6	L161 M162 E165 L168 I599 L670 T671 L676 P678	L161-I674 HydrophobicContact CB-CG2 3.55Å; L161-I674 HydrophobicContact CD1-CG2 4.35Å; M162-I674 HydrophobicContact CG-CB 4.44Å; M162-I674 HydrophobicContact CG-CG2 3.68Å; E165-I674 HydrophobicContact CB-CD1 4.22Å; E165-I674 HydrophobicContact CG-CD1 3.98Å; L168-I674 HydrophobicContact CD1-CD1 4.26Å; I599-I674 HydrophobicContact CG2-CD1 4.26Å; I599-I674 HydrophobicContact CG2-CG1 4.01Å; L670-I674 HydrophobicContact CD1-CD1 4.34Å; L670-I674 HydrophobicContact CD1-CG1 4.32Å; L670-I674 HydrophobicContact CD2-CD1 4.28Å; L670-I674 HydrophobicContact CG-CD1 3.86Å; L670-I674 HydrophobicContact CG-CG1 4.26Å; L670-I674 WeakPolarHBondContact O-CG1 3.43Å; L670-I674 PolarHBondContact O-N 2.79Å; T671-I674 PolarHBondContact O-N 2.75Å; I674-L676 VanDerWaalsContact C-N 3.33Å; I674-P678 WeakPolarHBondContact O-CD 3.11Å
675	L	97.7	Very high	96.5	Very high	1 Å²	1	7 Å²	7	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-63.3	-38.7	173.5	-65.4	175.6	0	0	0	112.2	A141 I144 V145 A158 L186 T671 F672 Q673 I679	A141-L675 HydrophobicContact CB-CD2 3.63Å; I144-L675 HydrophobicContact CD1-CD1 4.34Å; I144-L675 HydrophobicContact CG2-CD1 4.16Å; V145-L675 HydrophobicContact CG2-CD2 4.2Å; A158-L675 HydrophobicContact CB-CD2 4.23Å; L186-L675 HydrophobicContact CD2-CD1 4.1Å; T671-L675 WeakPolarHBondContact O-CG 3.3Å; T671-L675 PolarHBondContact O-N 3.35Å; T671-L675 VanDerWaalsContact O-N 3.09Å; F672-L675 HydrophobicContact CD1-CD1 4.42Å; F672-L675 PolarHBondContact O-N 3.45Å; Q673-L675 VanDerWaalsContact C-N 3.3Å; Q673-L675 PolarHBondContact O-N 2.98Å; L675-I679 WeakPolarHBondContact O-CD1 3.45Å
676	L	97.9	Very high	96.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-68	-36.3	-179.4	-177.6	62.7	0	0	0	113.3	Y610 C643 I644 F672 Q673 I674 I679 V680	Y610-L676 HydrophobicContact CD2-CD1 3.7Å; Y610-L676 HydrophobicContact CE2-CD1 4.39Å; Y610-L676 HydrophobicContact CG-CD1 4.03Å; Y610-L676 HydrophobicContact CG-CD2 4.41Å; C643-L676 HydrophobicContact CB-CB 3.79Å; C643-L676 HydrophobicContact CB-CD1 4.08Å; C643-L676 HydrophobicContact CB-CG 4.38Å; I644-L676 HydrophobicContact CD1-CD2 3.33Å; I644-L676 HydrophobicContact CG1-CD2 4.04Å; F672-L676 PolarHBondContact O-N 2.9Å; F672-L676 VanDerWaalsContact O-N 3.14Å; Q673-L676 WeakPolarHBondContact O-CB 3.4Å; Q673-L676 PolarHBondContact O-N 2.75Å; Q673-L676 VanDerWaalsContact O-N 3.16Å; I674-L676 VanDerWaalsContact C-N 3.33Å; L676-I679 WeakPolarHBondContact O-CA 3.46Å; L676-I679 WeakPolarHBondContact O-CB 3.15Å; L676-I679 PolarHBondContact O-N 2.9Å; L676-V680 HydrophobicContact CD1-CG2 3.86Å; L676-V680 HydrophobicContact CG-CG2 3.86Å; L676-V680 PolarHBondContact O-N 2.98Å
677	L	97.5	Very high	96	Very high	6 Å²	6	14.2 Å²	14.2	3%	0.031	8%	0.076	C	C	.	.	H	α-helix	trans	-57.3	-51.7	-169.8	171.7	62.1	0	0	0	113.1	L161 S602 A603 A606 Q673 I679 V680 M681 W705	L161-L677 HydrophobicContact CD1-CD2 3.88Å; L161-L677 HydrophobicContact CD1-CG 4.27Å; S602-L677 VanDerWaalsContact OG-CD2 3.3Å; S602-L677 WeakPolarHBondContact OG-CD2 3.31Å; A603-L677 HydrophobicContact CB-CD2 4.42Å; A606-L677 HydrophobicContact CB-CB 4.2Å; A606-L677 HydrophobicContact CB-CD1 3.55Å; Q673-L677 PolarHBondContact O-N 2.76Å; Q673-L677 VanDerWaalsContact O-N 3.07Å; L677-I679 VanDerWaalsContact C-N 3.31Å; L677-I679 PolarHBondContact O-N 2.98Å; L677-V680 PolarHBondContact O-N 2.83Å; L677-M681 HydrophobicContact CD1-CE 3.65Å; L677-M681 HydrophobicContact CD1-SD 4.45Å; L677-M681 HydrophobicContact CG-CE 4.07Å; L677-M681 WeakPolarHBondContact O-CG 3.48Å; L677-M681 PolarHBondContact O-N 2.62Å; L677-M681 VanDerWaalsContact O-N 3.07Å; L677-W705 HydrophobicContact CD2-CH2 3.44Å; L677-W705 VanDerWaalsContact CD2-CH2 3.44Å; L677-W705 HydrophobicContact CD2-CZ2 3.69Å; L677-W705 HydrophobicContact CD2-CZ3 4.48Å; L677-W705 HydrophobicContact CG-CH2 4.21Å
678	P	97.2	Very high	95.7	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.032	10%	0.1	C	C	.	.	H	α-helix	trans	-62.7	-34.8	173.6	-24.2	35.4	0	0	0	113.5	T154 A158 L161 I674 V680 M681 Q682	T154-P678 VanDerWaalsContact CG2-C 3.45Å; T154-P678 HydrophobicContact CG2-CB 3.63Å; T154-P678 WeakPolarHBondContact CG2-O 3.15Å; T154-P678 WeakPolarHBondContact O-CB 3.44Å; A158-P678 HydrophobicContact CB-CG 3.98Å; L161-P678 HydrophobicContact CD1-CG 3.79Å; I674-P678 WeakPolarHBondContact O-CD 3.11Å; P678-V680 VanDerWaalsContact C-N 3.34Å; P678-V680 PolarHBondContact O-N 3.26Å; P678-M681 WeakPolarHBondContact O-CB 3.42Å; P678-M681 PolarHBondContact O-N 3.06Å; P678-Q682 PolarHBondContact O-N 2.8Å
679	I	97.2	Very high	95.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.1	-45.5	178.5	-69	170.8	0	0	0	110.2	V145 L148 F150 T154 W636 A639 L675 L676 L677 Q682 H683	V145-I679 HydrophobicContact CG1-CG1 4.34Å; V145-I679 HydrophobicContact CG2-CD1 4.45Å; L148-I679 HydrophobicContact CD1-CD1 4.04Å; F150-I679 HydrophobicContact CD1-CG1 4.48Å; F150-I679 HydrophobicContact CD1-CG2 4.28Å; F150-I679 HydrophobicContact CD2-CD1 4.42Å; F150-I679 HydrophobicContact CD2-CG1 4.27Å; F150-I679 HydrophobicContact CE1-CG2 3.65Å; F150-I679 HydrophobicContact CE2-CD1 4.43Å; F150-I679 HydrophobicContact CE2-CG1 4.43Å; F150-I679 HydrophobicContact CE2-CG2 4.05Å; F150-I679 HydrophobicContact CG-CG1 4.3Å; F150-I679 HydrophobicContact CZ-CG2 3.52Å; T154-I679 HydrophobicContact CG2-CG1 4.28Å; W636-I679 HydrophobicContact CE3-CG2 4.38Å; W636-I679 HydrophobicContact CZ3-CG2 3.95Å; A639-I679 HydrophobicContact CB-CD1 4.25Å; A639-I679 HydrophobicContact CB-CG2 4.29Å; L675-I679 WeakPolarHBondContact O-CD1 3.45Å; L676-I679 WeakPolarHBondContact O-CA 3.46Å; L676-I679 WeakPolarHBondContact O-CB 3.15Å; L676-I679 PolarHBondContact O-N 2.9Å; L677-I679 VanDerWaalsContact C-N 3.31Å; L677-I679 PolarHBondContact O-N 2.98Å; I679-Q682 PolarHBondContact O-N 3.03Å; I679-H683 WeakPolarHBondContact O-CB 3.46Å; I679-H683 PolarHBondContact O-N 2.87Å
680	V	97.1	Very high	95	Very high	15 Å²	15	31.2 Å²	31.2	9%	0.091	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-39.1	175.7	176	0	0	0	0	111.3	A606 A609 Y610 W636 L676 L677 P678 H683 A684	A606-V680 HydrophobicContact CB-CB 4.35Å; A606-V680 HydrophobicContact CB-CG2 4.33Å; A609-V680 HydrophobicContact CB-CG1 4.34Å; Y610-V680 HydrophobicContact CD2-CG2 4.21Å; W636-V680 HydrophobicContact CH2-CG2 4.24Å; L676-V680 HydrophobicContact CD1-CG2 3.86Å; L676-V680 HydrophobicContact CG-CG2 3.86Å; L676-V680 PolarHBondContact O-N 2.98Å; L677-V680 PolarHBondContact O-N 2.83Å; P678-V680 VanDerWaalsContact C-N 3.34Å; P678-V680 PolarHBondContact O-N 3.26Å; V680-H683 PolarHBondContact O-N 2.71Å; V680-A684 WeakPolarHBondContact O-CB 3.37Å; V680-A684 PolarHBondContact O-N 2.84Å
681	M	95.7	Very high	94.8	Very high	35 Å²	35	33.6 Å²	33.6	17%	0.172	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-44.3	175.5	-71	175	170.8	0	0	112.2	L677 P678 H683 A684 S685 F698 V702 W705	L677-M681 HydrophobicContact CD1-CE 3.65Å; L677-M681 HydrophobicContact CD1-SD 4.45Å; L677-M681 HydrophobicContact CG-CE 4.07Å; L677-M681 WeakPolarHBondContact O-CG 3.48Å; L677-M681 PolarHBondContact O-N 2.62Å; L677-M681 VanDerWaalsContact O-N 3.07Å; P678-M681 WeakPolarHBondContact O-CB 3.42Å; P678-M681 PolarHBondContact O-N 3.06Å; M681-H683 VanDerWaalsContact C-N 3.35Å; M681-A684 PolarHBondContact O-N 3.32Å; M681-S685 PolarHBondContact O-N 3.37Å; M681-S685 VanDerWaalsContact O-N 3.08Å; M681-F698 HydrophobicContact CB-CZ 4.4Å; M681-F698 VanDerWaalsContact O-CE1 3.27Å; M681-F698 WeakPolarHBondContact O-CE1 3.39Å; M681-V702 HydrophobicContact SD-CG1 4.19Å; M681-V702 HydrophobicContact SD-CG2 4.35Å; M681-W705 HydrophobicContact CE-CD2 3.9Å; M681-W705 HydrophobicContact CE-CE3 3.58Å; M681-W705 HydrophobicContact CE-CH2 4.02Å; M681-W705 HydrophobicContact CE-CZ2 4.35Å; M681-W705 HydrophobicContact CE-CZ3 3.62Å; M681-W705 HydrophobicContact SD-CE3 4.33Å; M681-W705 HydrophobicContact SD-CZ3 4.15Å
682	Q	95.2	Very high	94.5	Very high	39 Å²	39	38.8 Å²	38.8	18%	0.182	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-47.6	175.3	-176.9	-178.9	-21.7	0	0	110.4	S151 T154 P678 I679 A684 S685 D686	S151-Q682 VanDerWaalsContact N-OE1 3.13Å; S151-Q682 PolarHBondContact OG-OE1 2.92Å; T154-Q682 HydrophobicContact CG2-CB 4.17Å; T154-Q682 WeakPolarHBondContact OG1-CB 3.42Å; T154-Q682 PolarHBondContact OG1-OE1 2.84Å; P678-Q682 PolarHBondContact O-N 2.8Å; I679-Q682 PolarHBondContact O-N 3.03Å; Q682-A684 VanDerWaalsContact C-N 3.3Å; Q682-A684 PolarHBondContact O-N 2.83Å; Q682-S685 WeakPolarHBondContact O-CB 3.36Å; Q682-S685 PolarHBondContact O-N 2.77Å; Q682-S685 VanDerWaalsContact O-N 3.11Å; Q682-D686 VanDerWaalsContact CG-OD2 3.25Å; Q682-D686 WeakPolarHBondContact CG-OD2 3.4Å; Q682-D686 PolarHBondContact NE2-OD2 3.37Å; Q682-D686 VanDerWaalsContact NE2-OD2 3.08Å; Q682-D686 PolarHBondContact O-N 2.87Å
683	H	94.7	Very high	94.3	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-59.3	-41	179.4	-171.7	82.3	0	0	0	112.7	Y617 W636 I679 V680 M681 D686 H687	Y617-H683 AromaticContact CE2-CE1 3.88Å; Y617-H683 AromaticContact CE2-NE2 3.29Å; Y617-H683 VanDerWaalsContact CE2-NE2 3.29Å; Y617-H683 WeakPolarHBondContact CE2-NE2 3.36Å; Y617-H683 AromaticContact CZ-NE2 3.45Å; Y617-H683 PolarHBondContact OH-NE2 3.01Å; W636-H683 HydrophobicContact CE3-CB 4.14Å; W636-H683 AromaticContact CE3-CG 3.85Å; W636-H683 AromaticContact CE3-ND1 3.56Å; W636-H683 HydrophobicContact CH2-CB 3.76Å; W636-H683 AromaticContact CH2-CD2 3.83Å; W636-H683 AromaticContact CH2-CG 3.59Å; W636-H683 HydrophobicContact CZ3-CB 3.37Å; W636-H683 AromaticContact CZ3-CG 3.39Å; W636-H683 AromaticContact CZ3-ND1 3.64Å; I679-H683 WeakPolarHBondContact O-CB 3.46Å; I679-H683 PolarHBondContact O-N 2.87Å; V680-H683 PolarHBondContact O-N 2.71Å; M681-H683 VanDerWaalsContact C-N 3.35Å; H683-D686 PolarHBondContact O-N 2.93Å; H683-H687 AromaticContact CE1-CD2 3.45Å; H683-H687 PolarHBondContact CE1-CD2 2.9Å; H683-H687 VanDerWaalsContact CE1-CD2 3.45Å; H683-H687 AromaticContact ND1-CD2 3.39Å; H683-H687 PolarHBondContact ND1-CD2 3.04Å; H683-H687 WeakPolarHBondContact O-CB 3.14Å; H683-H687 PolarHBondContact O-N 3.22Å
684	A	94.1	Very high	94.1	Very high	16 Å²	16	49.6 Å²	49.6	13%	0.132	24%	0.244	C	C	.	.	I	π-helix	trans	-62	-43.1	175.3	0	0	0	0	0	112	V680 M681 Q682 L688 C689 F698	V680-A684 WeakPolarHBondContact O-CB 3.37Å; V680-A684 PolarHBondContact O-N 2.84Å; M681-A684 PolarHBondContact O-N 3.32Å; Q682-A684 VanDerWaalsContact C-N 3.3Å; Q682-A684 PolarHBondContact O-N 2.83Å; A684-L688 WeakPolarHBondContact O-CA 3.24Å; A684-L688 WeakPolarHBondContact O-CB 3.34Å; A684-L688 PolarHBondContact O-N 2.89Å; A684-C689 PolarHBondContact O-N 3.05Å; A684-F698 HydrophobicContact CB-CE1 4.34Å; A684-F698 HydrophobicContact CB-CE2 4.26Å; A684-F698 HydrophobicContact CB-CZ 3.81Å
685	S	93.4	Very high	93.9	Very high	18 Å²	18	53.9 Å²	53.9	13%	0.126	26%	0.26	C	S	.	.	I	π-helix	trans	-65.7	-42.7	177.7	-175.2	0	0	0	0	112.9	M681 Q682	M681-S685 PolarHBondContact O-N 3.37Å; M681-S685 VanDerWaalsContact O-N 3.08Å; Q682-S685 WeakPolarHBondContact O-CB 3.36Å; Q682-S685 PolarHBondContact O-N 2.77Å; Q682-S685 VanDerWaalsContact O-N 3.11Å
686	D	91.3	Very high	93.7	Very high	72 Å²	72	58 Å²	58	39%	0.385	28%	0.283	S	S	.	.	I	π-helix	trans	-82.8	-34.3	-172.2	-70.2	-18.5	0	0	0	112.6	Q682 H683 R695	Q682-D686 VanDerWaalsContact CG-OD2 3.25Å; Q682-D686 WeakPolarHBondContact CG-OD2 3.4Å; Q682-D686 PolarHBondContact NE2-OD2 3.37Å; Q682-D686 VanDerWaalsContact NE2-OD2 3.08Å; Q682-D686 PolarHBondContact O-N 2.87Å; H683-D686 PolarHBondContact O-N 2.93Å; D686-R695 IonicContact OD1-NH2 2.9Å
687	H	90.4	Very high	93.6	Very high	83 Å²	83	61.7 Å²	61.7	38%	0.384	31%	0.305	S	S	.	.	I	π-helix	trans	-118.1	-23.9	-171.4	-62.7	-63.4	0	0	0	115.2	L628 H683	L628-H687 HydrophobicContact CD2-CB 4.21Å; L628-H687 VanDerWaalsContact CD2-CE1 3.5Å; L628-H687 WeakPolarHBondContact CD2-CE1 3.38Å; L628-H687 VanDerWaalsContact CD2-CG 3.48Å; L628-H687 WeakPolarHBondContact CD2-ND1 3.48Å; H683-H687 AromaticContact CE1-CD2 3.45Å; H683-H687 PolarHBondContact CE1-CD2 2.9Å; H683-H687 VanDerWaalsContact CE1-CD2 3.45Å; H683-H687 AromaticContact ND1-CD2 3.39Å; H683-H687 PolarHBondContact ND1-CD2 3.04Å; H683-H687 WeakPolarHBondContact O-CB 3.14Å; H683-H687 PolarHBondContact O-N 3.22Å
688	L	89.9	Confident	93.5	Very high	98 Å²	98	63.9 Å²	63.9	51%	0.513	31%	0.314	S	S	.	.	I	π-helix	trans	-96	-39.2	-178.2	-133.4	71.7	0	0	0	111.9	L613 A684 R690	L613-L688 HydrophobicContact CD2-CD1 4.39Å; A684-L688 WeakPolarHBondContact O-CA 3.24Å; A684-L688 WeakPolarHBondContact O-CB 3.34Å; A684-L688 PolarHBondContact O-N 2.89Å; L688-R690 PolarHBondContact O-N 3.42Å
689	C	90.8	Very high	93.3	Very high	24 Å²	24	66.3 Å²	66.3	16%	0.162	33%	0.331	C	S	.	.			trans	-76.9	110.2	175.2	-64.9	0	0	0	0	111.1	A684 Q694 R695	A684-C689 PolarHBondContact O-N 3.05Å; C689-Q694 HydrophobicContact CB-CB 4.03Å; C689-R695 HydrophobicContact CB-CB 4.49Å; C689-R695 HydrophobicContact CB-CG 3.52Å
690	R	88.1	Confident	93.2	Very high	236 Å²	236	69.3 Å²	69.3	89%	0.891	36%	0.356	S	S	*	.			trans	-84.8	-31.9	-175.3	-65.6	-176.8	178.5	177	-0.7	113.6	L688	L688-R690 PolarHBondContact O-N 3.42Å
691	S	92.3	Very high	93.2	Very high	49 Å²	49	73.8 Å²	73.8	34%	0.343	38%	0.379	S	S	.	.	S	Bend	trans	-106.9	152.4	-177	74.3	0	0	0	0	112.2	L693 Q694 R695	S691-L693 PolarHBondContact O-N 3.01Å; S691-Q694 WeakPolarHBondContact O-CB 2.95Å; S691-Q694 PolarHBondContact O-N 2.96Å; S691-Q694 VanDerWaalsContact O-N 3.1Å; S691-Q694 WeakPolarHBondContact OG-CB 3.28Å; S691-Q694 VanDerWaalsContact OG-CG 3.27Å; S691-Q694 WeakPolarHBondContact OG-CG 3.42Å; S691-Q694 PolarHBondContact OG-N 2.83Å; S691-R695 PolarHBondContact O-N 2.55Å
692	Q	92.2	Very high	93.1	Very high	109 Å²	109	73.6 Å²	73.6	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-34.7	176.6	-170.5	60.2	30.5	0	0	111.9	R695 N696	Q692-R695 PolarHBondContact O-N 3.31Å; Q692-N696 PolarHBondContact NE2-OD1 3.32Å; Q692-N696 WeakPolarHBondContact O-CB 3.49Å; Q692-N696 PolarHBondContact O-N 3.27Å; Q692-N696 PolarHBondContact O-OD1 3.27Å
693	L	93.3	Very high	93.1	Very high	128 Å²	128	76.2 Å²	76.2	67%	0.67	40%	0.398	S	S	*	.	H	α-helix	trans	-62	-45.9	174.1	-176.7	66.6	0	0	0	111.2	S691 R695 N696 V697	S691-L693 PolarHBondContact O-N 3.01Å; L693-R695 VanDerWaalsContact C-N 3.33Å; L693-R695 PolarHBondContact O-N 3.27Å; L693-N696 PolarHBondContact O-N 3.09Å; L693-V697 HydrophobicContact CD1-CG2 4.37Å; L693-V697 HydrophobicContact CG-CG2 4.45Å; L693-V697 WeakPolarHBondContact O-CB 3.5Å; L693-V697 VanDerWaalsContact O-CG2 3.28Å; L693-V697 WeakPolarHBondContact O-CG2 3.48Å; L693-V697 PolarHBondContact O-N 3.15Å
694	Q	93.2	Very high	93.2	Very high	99 Å²	99	78.6 Å²	78.6	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-60.2	-43.2	176.3	-76.5	172.8	-9.4	0	0	111.6	C689 S691 V697 F698	C689-Q694 HydrophobicContact CB-CB 4.03Å; S691-Q694 WeakPolarHBondContact O-CB 2.95Å; S691-Q694 PolarHBondContact O-N 2.96Å; S691-Q694 VanDerWaalsContact O-N 3.1Å; S691-Q694 WeakPolarHBondContact OG-CB 3.28Å; S691-Q694 VanDerWaalsContact OG-CG 3.27Å; S691-Q694 WeakPolarHBondContact OG-CG 3.42Å; S691-Q694 PolarHBondContact OG-N 2.83Å; Q694-V697 PolarHBondContact O-N 3.31Å; Q694-F698 VanDerWaalsContact O-CB 3.23Å; Q694-F698 WeakPolarHBondContact O-CB 3.43Å; Q694-F698 PolarHBondContact O-N 3.37Å
695	R	92.9	Very high	93.3	Very high	90 Å²	90	80.1 Å²	80.1	34%	0.34	42%	0.421	S	S	.	.	H	α-helix	trans	-63.3	-42.4	177.4	-67.2	175.7	73.2	-145.9	9.6	112.2	D686 C689 S691 Q692 L693 F698 S699	D686-R695 IonicContact OD1-NH2 2.9Å; C689-R695 HydrophobicContact CB-CB 4.49Å; C689-R695 HydrophobicContact CB-CG 3.52Å; S691-R695 PolarHBondContact O-N 2.55Å; Q692-R695 PolarHBondContact O-N 3.31Å; L693-R695 VanDerWaalsContact C-N 3.33Å; L693-R695 PolarHBondContact O-N 3.27Å; R695-F698 PolarHBondContact O-N 2.81Å; R695-S699 WeakPolarHBondContact O-CB 3.49Å; R695-S699 PolarHBondContact O-N 3.12Å; R695-S699 PolarHBondContact O-OG 2.83Å
696	N	94.1	Very high	93.5	Very high	89 Å²	89	81 Å²	81	48%	0.476	42%	0.422	S	S	.	.	H	α-helix	trans	-65.7	-45.1	177.5	-69.1	-4	0	0	0	111.4	Q692 L693 S699 A700	Q692-N696 PolarHBondContact NE2-OD1 3.32Å; Q692-N696 WeakPolarHBondContact O-CB 3.49Å; Q692-N696 PolarHBondContact O-N 3.27Å; Q692-N696 PolarHBondContact O-OD1 3.27Å; L693-N696 PolarHBondContact O-N 3.09Å; N696-S699 PolarHBondContact O-N 2.99Å; N696-A700 PolarHBondContact O-N 3.46Å
697	V	95.1	Very high	93.7	Very high	76 Å²	76	81 Å²	81	46%	0.461	43%	0.428	S	S	.	.	H	α-helix	trans	-62.8	-45.8	176.4	171.3	0	0	0	0	110.6	L693 Q694 S699 A700 L701	L693-V697 HydrophobicContact CD1-CG2 4.37Å; L693-V697 HydrophobicContact CG-CG2 4.45Å; L693-V697 WeakPolarHBondContact O-CB 3.5Å; L693-V697 VanDerWaalsContact O-CG2 3.28Å; L693-V697 WeakPolarHBondContact O-CG2 3.48Å; L693-V697 PolarHBondContact O-N 3.15Å; Q694-V697 PolarHBondContact O-N 3.31Å; V697-S699 VanDerWaalsContact C-N 3.35Å; V697-S699 PolarHBondContact O-N 2.96Å; V697-A700 PolarHBondContact O-N 2.91Å; V697-L701 HydrophobicContact CG1-CD1 4.19Å; V697-L701 WeakPolarHBondContact O-CG 3.34Å; V697-L701 PolarHBondContact O-N 2.92Å
698	F	95.2	Very high	94	Very high	53 Å²	53	79.6 Å²	79.6	23%	0.232	43%	0.427	C	S	.	.	H	α-helix	trans	-60.5	-44.5	176.9	-177.2	-100.4	0	0	0	111.6	M681 A684 Q694 R695 A700 L701 V702	M681-F698 HydrophobicContact CB-CZ 4.4Å; M681-F698 VanDerWaalsContact O-CE1 3.27Å; M681-F698 WeakPolarHBondContact O-CE1 3.39Å; A684-F698 HydrophobicContact CB-CE1 4.34Å; A684-F698 HydrophobicContact CB-CE2 4.26Å; A684-F698 HydrophobicContact CB-CZ 3.81Å; Q694-F698 VanDerWaalsContact O-CB 3.23Å; Q694-F698 WeakPolarHBondContact O-CB 3.43Å; Q694-F698 PolarHBondContact O-N 3.37Å; R695-F698 PolarHBondContact O-N 2.81Å; F698-A700 VanDerWaalsContact C-N 3.33Å; F698-A700 PolarHBondContact O-N 3.14Å; F698-L701 WeakPolarHBondContact O-CB 3.5Å; F698-L701 PolarHBondContact O-N 3.45Å; F698-V702 HydrophobicContact CD1-CG2 4.08Å; F698-V702 HydrophobicContact CE1-CG2 3.67Å; F698-V702 HydrophobicContact CE2-CG2 4.46Å; F698-V702 HydrophobicContact CZ-CG2 3.89Å; F698-V702 WeakPolarHBondContact O-CG2 3.33Å; F698-V702 PolarHBondContact O-N 3.47Å
699	S	93.6	Very high	94.3	Very high	56 Å²	56	74.9 Å²	74.9	39%	0.392	40%	0.403	S	S	.	.	H	α-helix	trans	-61.3	-41.5	176.2	-58.4	0	0	0	0	111.8	R695 N696 V697 L701 V702 V703	R695-S699 WeakPolarHBondContact O-CB 3.49Å; R695-S699 PolarHBondContact O-N 3.12Å; R695-S699 PolarHBondContact O-OG 2.83Å; N696-S699 PolarHBondContact O-N 2.99Å; V697-S699 VanDerWaalsContact C-N 3.35Å; V697-S699 PolarHBondContact O-N 2.96Å; S699-L701 VanDerWaalsContact C-N 3.35Å; S699-L701 PolarHBondContact O-N 2.93Å; S699-V702 PolarHBondContact O-N 2.74Å; S699-V703 WeakPolarHBondContact O-CG2 3.49Å; S699-V703 PolarHBondContact O-N 3.29Å
700	A	95.3	Very high	94.6	Very high	62 Å²	62	76.2 Å²	76.2	51%	0.512	41%	0.412	S	S	.	.	H	α-helix	trans	-63	-40.3	175	0	0	0	0	0	112	N696 V697 F698 V703 A704	N696-A700 PolarHBondContact O-N 3.46Å; V697-A700 PolarHBondContact O-N 2.91Å; F698-A700 VanDerWaalsContact C-N 3.33Å; F698-A700 PolarHBondContact O-N 3.14Å; A700-V703 PolarHBondContact O-N 3.11Å; A700-A704 WeakPolarHBondContact O-CB 3.26Å; A700-A704 PolarHBondContact O-N 2.88Å
701	L	95.8	Very high	95	Very high	110 Å²	110	70.2 Å²	70.2	58%	0.576	39%	0.394	S	S	*	.	H	α-helix	trans	-64.8	-40.1	174.6	-70	172.3	0	0	0	112.1	V697 F698 S699 A704 W705	V697-L701 HydrophobicContact CG1-CD1 4.19Å; V697-L701 WeakPolarHBondContact O-CG 3.34Å; V697-L701 PolarHBondContact O-N 2.92Å; F698-L701 WeakPolarHBondContact O-CB 3.5Å; F698-L701 PolarHBondContact O-N 3.45Å; S699-L701 VanDerWaalsContact C-N 3.35Å; S699-L701 PolarHBondContact O-N 2.93Å; L701-A704 PolarHBondContact O-N 2.87Å; L701-W705 VanDerWaalsContact O-CB 3.29Å; L701-W705 WeakPolarHBondContact O-CB 3.11Å; L701-W705 PolarHBondContact O-N 2.95Å
702	V	95.2	Very high	95.2	Very high	31 Å²	31	68.2 Å²	68.2	19%	0.188	38%	0.379	C	S	.	.	H	α-helix	trans	-62.2	-44	175.1	170.8	0	0	0	0	110.6	M681 F698 S699 W705 Y706	M681-V702 HydrophobicContact SD-CG1 4.19Å; M681-V702 HydrophobicContact SD-CG2 4.35Å; F698-V702 HydrophobicContact CD1-CG2 4.08Å; F698-V702 HydrophobicContact CE1-CG2 3.67Å; F698-V702 HydrophobicContact CE2-CG2 4.46Å; F698-V702 HydrophobicContact CZ-CG2 3.89Å; F698-V702 WeakPolarHBondContact O-CG2 3.33Å; F698-V702 PolarHBondContact O-N 3.47Å; S699-V702 PolarHBondContact O-N 2.74Å; V702-W705 PolarHBondContact O-N 3.3Å; V702-Y706 HydrophobicContact CG1-CD2 3.85Å; V702-Y706 HydrophobicContact CG1-CE2 3.96Å; V702-Y706 WeakPolarHBondContact O-CD2 3.48Å; V702-Y706 PolarHBondContact O-N 3.22Å
703	V	95	Very high	95.4	Very high	94 Å²	94	63.7 Å²	63.7	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-64	-42.6	176.3	172.9	0	0	0	0	111.7	S699 A700 W705 Y706 S707	S699-V703 WeakPolarHBondContact O-CG2 3.49Å; S699-V703 PolarHBondContact O-N 3.29Å; A700-V703 PolarHBondContact O-N 3.11Å; V703-W705 VanDerWaalsContact C-N 3.32Å; V703-W705 PolarHBondContact O-N 3.15Å; V703-Y706 PolarHBondContact O-N 2.86Å; V703-S707 WeakPolarHBondContact O-CB 3.43Å; V703-S707 PolarHBondContact O-N 2.78Å; V703-S707 PolarHBondContact O-OG 2.81Å
704	A	96.2	Very high	95.5	Very high	58 Å²	58	62.7 Å²	62.7	48%	0.479	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-41.1	175.3	0	0	0	0	0	111.5	A700 L701 S707 S708	A700-A704 WeakPolarHBondContact O-CB 3.26Å; A700-A704 PolarHBondContact O-N 2.88Å; L701-A704 PolarHBondContact O-N 2.87Å; A704-S707 WeakPolarHBondContact O-CB 3.47Å; A704-S707 PolarHBondContact O-N 2.88Å; A704-S708 PolarHBondContact O-N 3.07Å
705	W	97	Very high	95.6	Very high	47 Å²	47	62 Å²	62	18%	0.178	35%	0.353	C	S	.	.	H	α-helix	trans	-64.8	-45.5	176.5	172.9	81.9	0	0	0	112.3	L161 V598 S602 L677 M681 L701 V702 V703 S707 S708 A709	L161-W705 HydrophobicContact CD1-CH2 3.96Å; L161-W705 HydrophobicContact CD1-CZ3 4.42Å; L161-W705 HydrophobicContact CD2-CH2 3.41Å; L161-W705 VanDerWaalsContact CD2-CH2 3.41Å; L161-W705 HydrophobicContact CD2-CZ2 4.38Å; L161-W705 HydrophobicContact CD2-CZ3 3.88Å; L161-W705 HydrophobicContact CG-CH2 4.3Å; V598-W705 HydrophobicContact CG1-CZ2 4.42Å; V598-W705 VanDerWaalsContact CG1-NE1 3.31Å; S602-W705 WeakPolarHBondContact OG-CZ2 3.01Å; L677-W705 HydrophobicContact CD2-CH2 3.44Å; L677-W705 VanDerWaalsContact CD2-CH2 3.44Å; L677-W705 HydrophobicContact CD2-CZ2 3.69Å; L677-W705 HydrophobicContact CD2-CZ3 4.48Å; L677-W705 HydrophobicContact CG-CH2 4.21Å; M681-W705 HydrophobicContact CE-CD2 3.9Å; M681-W705 HydrophobicContact CE-CE3 3.58Å; M681-W705 HydrophobicContact CE-CH2 4.02Å; M681-W705 HydrophobicContact CE-CZ2 4.35Å; M681-W705 HydrophobicContact CE-CZ3 3.62Å; M681-W705 HydrophobicContact SD-CE3 4.33Å; M681-W705 HydrophobicContact SD-CZ3 4.15Å; L701-W705 VanDerWaalsContact O-CB 3.29Å; L701-W705 WeakPolarHBondContact O-CB 3.11Å; L701-W705 PolarHBondContact O-N 2.95Å; V702-W705 PolarHBondContact O-N 3.3Å; V703-W705 VanDerWaalsContact C-N 3.32Å; V703-W705 PolarHBondContact O-N 3.15Å; W705-S707 VanDerWaalsContact C-N 3.28Å; W705-S707 PolarHBondContact O-N 3.02Å; W705-S708 WeakPolarHBondContact O-CB 3.18Å; W705-S708 PolarHBondContact O-N 2.78Å; W705-S708 VanDerWaalsContact O-N 3.13Å; W705-A709 PolarHBondContact O-N 3.34Å
706	Y	95.7	Very high	95.6	Very high	38 Å²	38	57.9 Å²	57.9	15%	0.149	34%	0.337	C	S	.	.	H	α-helix	trans	-58.6	-41.2	172.6	-96.1	-79.6	0	0	0	111.9	G157 L160 L161 V702 V703 S708 A709 C710	G157-Y706 WeakPolarHBondContact CA-OH 3.45Å; G157-Y706 PolarHBondContact O-OH 2.88Å; G157-Y706 VanDerWaalsContact O-OH 3.12Å; L160-Y706 HydrophobicContact CB-CE1 4.36Å; L161-Y706 HydrophobicContact CD1-CE1 4.46Å; L161-Y706 HydrophobicContact CD2-CD1 4.16Å; L161-Y706 HydrophobicContact CD2-CE1 3.54Å; L161-Y706 HydrophobicContact CG-CE1 3.71Å; V702-Y706 HydrophobicContact CG1-CD2 3.85Å; V702-Y706 HydrophobicContact CG1-CE2 3.96Å; V702-Y706 WeakPolarHBondContact O-CD2 3.48Å; V702-Y706 PolarHBondContact O-N 3.22Å; V703-Y706 PolarHBondContact O-N 2.86Å; Y706-S708 VanDerWaalsContact C-N 3.3Å; Y706-S708 PolarHBondContact O-N 2.73Å; Y706-A709 PolarHBondContact O-N 2.81Å; Y706-C710 PolarHBondContact O-N 3.46Å; Y706-C710 PolarHBondContact O-SG 3.15Å; Y706-C710 VanDerWaalsContact O-SG 3.41Å
707	S	96.1	Very high	95.7	Very high	71 Å²	71	58.8 Å²	58.8	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-39.4	177	-56.2	0	0	0	0	111.5	V703 A704 W705 C710 H711	V703-S707 WeakPolarHBondContact O-CB 3.43Å; V703-S707 PolarHBondContact O-N 2.78Å; V703-S707 PolarHBondContact O-OG 2.81Å; A704-S707 WeakPolarHBondContact O-CB 3.47Å; A704-S707 PolarHBondContact O-N 2.88Å; W705-S707 VanDerWaalsContact C-N 3.28Å; W705-S707 PolarHBondContact O-N 3.02Å; S707-C710 PolarHBondContact O-N 2.88Å; S707-H711 WeakPolarHBondContact O-CB 3.25Å; S707-H711 PolarHBondContact O-N 2.79Å
708	S	96.9	Very high	95.6	Very high	53 Å²	53	56.2 Å²	56.2	37%	0.371	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-46.4	172.4	-179	0	0	0	0	111.6	A704 W705 Y706 C710 H711 V712	A704-S708 PolarHBondContact O-N 3.07Å; W705-S708 WeakPolarHBondContact O-CB 3.18Å; W705-S708 PolarHBondContact O-N 2.78Å; W705-S708 VanDerWaalsContact O-N 3.13Å; Y706-S708 VanDerWaalsContact C-N 3.3Å; Y706-S708 PolarHBondContact O-N 2.73Å; S708-C710 VanDerWaalsContact C-N 3.35Å; S708-C710 PolarHBondContact O-N 3.34Å; S708-H711 WeakPolarHBondContact O-CB 3.37Å; S708-H711 PolarHBondContact O-N 2.96Å; S708-H711 VanDerWaalsContact O-N 3.11Å; S708-V712 WeakPolarHBondContact O-CG2 3.34Å; S708-V712 PolarHBondContact O-N 2.7Å
709	A	97.1	Very high	95.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-44.4	176.6	0	0	0	0	0	112	I164 N596 V598 I599 W705 Y706 H711 V712 S713	I164-A709 HydrophobicContact CD1-CB 4.05Å; N596-A709 PolarHBondContact ND2-O 3.25Å; V598-A709 HydrophobicContact CG1-CB 4.19Å; I599-A709 HydrophobicContact CD1-CB 4.31Å; I599-A709 HydrophobicContact CG1-CB 3.94Å; W705-A709 PolarHBondContact O-N 3.34Å; Y706-A709 PolarHBondContact O-N 2.81Å; A709-H711 VanDerWaalsContact C-N 3.35Å; A709-H711 PolarHBondContact O-N 3.05Å; A709-V712 PolarHBondContact O-N 3.04Å; A709-S713 PolarHBondContact O-N 3.08Å
710	C	96.7	Very high	95.6	Very high	52 Å²	52	51.4 Å²	51.4	35%	0.351	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-40.8	173.8	-71.7	0	0	0	0	112.3	Y706 S707 S708 S713 N714	Y706-C710 PolarHBondContact O-N 3.46Å; Y706-C710 PolarHBondContact O-SG 3.15Å; Y706-C710 VanDerWaalsContact O-SG 3.41Å; S707-C710 PolarHBondContact O-N 2.88Å; S708-C710 VanDerWaalsContact C-N 3.35Å; S708-C710 PolarHBondContact O-N 3.34Å; C710-S713 PolarHBondContact O-N 2.92Å; C710-N714 PolarHBondContact O-N 2.95Å; C710-N714 PolarHBondContact O-ND2 2.88Å
711	H	96.9	Very high	95.5	Very high	110 Å²	110	49.5 Å²	49.5	51%	0.509	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-46.3	177	-178.1	75.9	0	0	0	111.8	S707 S708 A709 S713 N714 M715	S707-H711 WeakPolarHBondContact O-CB 3.25Å; S707-H711 PolarHBondContact O-N 2.79Å; S708-H711 WeakPolarHBondContact O-CB 3.37Å; S708-H711 PolarHBondContact O-N 2.96Å; S708-H711 VanDerWaalsContact O-N 3.11Å; A709-H711 VanDerWaalsContact C-N 3.35Å; A709-H711 PolarHBondContact O-N 3.05Å; H711-S713 VanDerWaalsContact C-N 3.35Å; H711-S713 PolarHBondContact O-N 3.06Å; H711-N714 PolarHBondContact O-N 3.49Å; H711-M715 VanDerWaalsContact CE1-CE 3.47Å; H711-M715 WeakPolarHBondContact CE1-CE 3.49Å; H711-M715 WeakPolarHBondContact O-CG 3.28Å; H711-M715 PolarHBondContact O-N 2.99Å
712	V	96.3	Very high	95.3	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.036	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-42.3	176.3	174.5	0	0	0	0	111.4	N596 I597 V598 S708 A709 N714 M715 L716 W736	N596-V712 WeakPolarHBondContact OD1-CG1 3.33Å; I597-V712 HydrophobicContact CG2-CG1 4.41Å; V598-V712 HydrophobicContact CG2-CB 4.4Å; V598-V712 HydrophobicContact CG2-CG2 3.64Å; S708-V712 WeakPolarHBondContact O-CG2 3.34Å; S708-V712 PolarHBondContact O-N 2.7Å; A709-V712 PolarHBondContact O-N 3.04Å; V712-N714 VanDerWaalsContact C-N 3.31Å; V712-N714 PolarHBondContact O-N 2.81Å; V712-M715 PolarHBondContact O-N 3.5Å; V712-L716 HydrophobicContact CG1-CD1 3.89Å; V712-L716 HydrophobicContact CG1-CG 4.38Å; V712-L716 PolarHBondContact O-N 3.39Å; V712-W736 HydrophobicContact CB-CH2 4.31Å; V712-W736 HydrophobicContact CG1-CH2 3.85Å; V712-W736 HydrophobicContact CG1-CZ3 3.79Å; V712-W736 HydrophobicContact CG2-CH2 3.79Å; V712-W736 HydrophobicContact CG2-CZ3 4.04Å
713	S	96.1	Very high	94.9	Very high	14 Å²	14	44.8 Å²	44.8	10%	0.098	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-43.9	176.6	-174.5	0	0	0	0	111.9	I164 N166 A709 C710 H711 L716 R717	I164-S713 WeakPolarHBondContact O-CB 3.49Å; I164-S713 PolarHBondContact O-OG 3.25Å; N166-S713 PolarHBondContact ND2-O 3.41Å; N166-S713 WeakPolarHBondContact OD1-CA 3.44Å; N166-S713 WeakPolarHBondContact OD1-CB 3.29Å; N166-S713 PolarHBondContact OD1-OG 2.87Å; A709-S713 PolarHBondContact O-N 3.08Å; C710-S713 PolarHBondContact O-N 2.92Å; H711-S713 VanDerWaalsContact C-N 3.35Å; H711-S713 PolarHBondContact O-N 3.06Å; S713-L716 PolarHBondContact O-N 3.44Å; S713-R717 PolarHBondContact O-N 2.89Å
714	N	95.1	Very high	94.6	Very high	107 Å²	107	43.2 Å²	43.2	57%	0.572	24%	0.236	S	C	*	.	H	α-helix	trans	-66.2	-38.1	175.8	-75.3	-31.8	0	0	0	113	C710 H711 V712 R717	C710-N714 PolarHBondContact O-N 2.95Å; C710-N714 PolarHBondContact O-ND2 2.88Å; H711-N714 PolarHBondContact O-N 3.49Å; V712-N714 VanDerWaalsContact C-N 3.31Å; V712-N714 PolarHBondContact O-N 2.81Å; N714-R717 VanDerWaalsContact O-CB 3.23Å; N714-R717 WeakPolarHBondContact O-CB 3.05Å; N714-R717 PolarHBondContact O-N 3.1Å
715	M	94.6	Very high	94.2	Very high	86 Å²	86	44 Å²	44	42%	0.424	24%	0.238	S	C	.	.	H	α-helix	trans	-66.4	-37.6	176.3	-74.8	-66.4	151.4	0	0	112.5	H711 V712 R717 P718	H711-M715 VanDerWaalsContact CE1-CE 3.47Å; H711-M715 WeakPolarHBondContact CE1-CE 3.49Å; H711-M715 WeakPolarHBondContact O-CG 3.28Å; H711-M715 PolarHBondContact O-N 2.99Å; V712-M715 PolarHBondContact O-N 3.5Å; M715-R717 VanDerWaalsContact C-N 3.35Å; M715-P718 WeakPolarHBondContact O-CD 3.29Å
716	L	94.4	Very high	93.8	Very high	2 Å²	2	43 Å²	43	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-86.6	-3.5	177.8	-67.9	178.5	0	0	0	113.5	N166 L594 V712 S713 P718 L719 T720 L734	N166-L716 WeakPolarHBondContact ND2-CB 3.48Å; L594-L716 HydrophobicContact CD2-CD1 4.19Å; L594-L716 HydrophobicContact CD2-CD2 3.91Å; V712-L716 HydrophobicContact CG1-CD1 3.89Å; V712-L716 HydrophobicContact CG1-CG 4.38Å; V712-L716 PolarHBondContact O-N 3.39Å; S713-L716 PolarHBondContact O-N 3.44Å; L716-P718 VanDerWaalsContact C-CD 3.5Å; L716-L719 HydrophobicContact CD2-CD1 4.17Å; L716-L719 PolarHBondContact O-N 3.39Å; L716-L719 VanDerWaalsContact O-N 3.07Å; L716-T720 PolarHBondContact O-N 3.18Å; L716-T720 VanDerWaalsContact O-N 3.15Å; L716-T720 PolarHBondContact O-OG1 2.6Å; L716-L734 HydrophobicContact CD2-CD2 4.41Å
717	R	94.5	Very high	93.5	Very high	108 Å²	108	43.6 Å²	43.6	41%	0.408	25%	0.246	S	C	.	.	H	α-helix	trans	-53.2	-44.9	179.1	-179.9	-171.5	157.4	-178.6	-7.4	113.1	S713 N714 M715 L719 T720 Y721 D723	S713-R717 PolarHBondContact O-N 2.89Å; N714-R717 VanDerWaalsContact O-CB 3.23Å; N714-R717 WeakPolarHBondContact O-CB 3.05Å; N714-R717 PolarHBondContact O-N 3.1Å; M715-R717 VanDerWaalsContact C-N 3.35Å; R717-L719 VanDerWaalsContact C-N 3.26Å; R717-L719 PolarHBondContact O-N 2.83Å; R717-T720 WeakPolarHBondContact O-CA 3.38Å; R717-T720 WeakPolarHBondContact O-CB 3.4Å; R717-T720 PolarHBondContact O-N 3.33Å; R717-Y721 HydrophobicContact CG-CD2 3.53Å; R717-Y721 HydrophobicContact CG-CE2 3.81Å; R717-Y721 PolarHBondContact O-N 2.76Å; R717-D723 IonicContact CZ-OD2 3.01Å; R717-D723 IonicContact NE-OD2 2.98Å; R717-D723 IonicContact NH2-OD2 2.78Å; R717-D723 PolarHBondContact NH2-OD2 2.82Å; R717-D723 VanDerWaalsContact NH2-OD2 3.14Å
718	P	93.6	Very high	93.1	Very high	22 Å²	22	42.6 Å²	42.6	14%	0.143	24%	0.238	C	C	.	.	H	α-helix	trans	-51.7	-41.4	174.6	-33.4	41	0	0	0	114.2	M715 L716 T720 G722 T724 L726	M715-P718 WeakPolarHBondContact O-CD 3.29Å; L716-P718 VanDerWaalsContact C-CD 3.5Å; P718-T720 VanDerWaalsContact C-N 3.3Å; P718-G722 WeakPolarHBondContact O-CA 3.47Å; P718-G722 PolarHBondContact O-N 2.54Å; P718-T724 WeakPolarHBondContact CB-OG1 3.31Å; P718-T724 WeakPolarHBondContact CG-OG1 3.13Å; P718-L726 HydrophobicContact CB-CD1 3.62Å; P718-L726 HydrophobicContact CB-CD2 4.42Å; P718-L726 HydrophobicContact CB-CG 4.09Å; P718-L726 HydrophobicContact CG-CD1 4.16Å; P718-L726 HydrophobicContact CG-CD2 4.38Å
719	L	93.6	Very high	92.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-78.8	-16	179.3	-59	178.2	0	0	0	112.8	Q590 I591 H592 L716 R717 L731 L734 I742	Q590-L719 HydrophobicContact CG-CD2 3.79Å; I591-L719 CarbonylContact C-O 3.23Å; I591-L719 VanDerWaalsContact CA-O 3.29Å; I591-L719 WeakPolarHBondContact CA-O 3.29Å; H592-L719 PolarHBondContact N-O 3.45Å; L716-L719 HydrophobicContact CD2-CD1 4.17Å; L716-L719 PolarHBondContact O-N 3.39Å; L716-L719 VanDerWaalsContact O-N 3.07Å; R717-L719 VanDerWaalsContact C-N 3.26Å; R717-L719 PolarHBondContact O-N 2.83Å; L719-L731 HydrophobicContact CD2-CD2 4.13Å; L719-L734 HydrophobicContact CD1-CB 4.36Å; L719-L734 HydrophobicContact CD1-CD1 3.93Å; L719-L734 HydrophobicContact CG-CD1 4.07Å; L719-I742 HydrophobicContact CD1-CD1 4.13Å
720	T	94.7	Very high	92.4	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-87.5	-44.2	-179.3	-52.3	0	0	0	0	111.1	N166 I169 T170 L716 R717 P718	N166-T720 HydrophobicContact CB-CG2 4.47Å; N166-T720 PolarHBondContact ND2-OG1 3.42Å; I169-T720 HydrophobicContact CB-CG2 3.74Å; I169-T720 HydrophobicContact CG2-CG2 3.81Å; T170-T720 WeakPolarHBondContact OG1-CG2 3.47Å; L716-T720 PolarHBondContact O-N 3.18Å; L716-T720 VanDerWaalsContact O-N 3.15Å; L716-T720 PolarHBondContact O-OG1 2.6Å; R717-T720 WeakPolarHBondContact O-CA 3.38Å; R717-T720 WeakPolarHBondContact O-CB 3.4Å; R717-T720 PolarHBondContact O-N 3.33Å; P718-T720 VanDerWaalsContact C-N 3.3Å
721	Y	94.1	Very high	92.1	Very high	22 Å²	22	44.3 Å²	44.3	9%	0.086	25%	0.245	C	C	.	.	H	α-helix	trans	-96.8	-24.4	-179.1	-67.7	-91.7	0	0	0	113.2	T51 W54 I169 R173 R717 D723	T51-Y721 PolarHBondContact O-OH 3.42Å; W54-Y721 HydrophobicContact CB-CE1 4.17Å; I169-Y721 HydrophobicContact CG2-CE1 4.43Å; I169-Y721 HydrophobicContact CG2-CE2 4.41Å; R173-Y721 VanDerWaalsContact CZ-CD1 3.43Å; R717-Y721 HydrophobicContact CG-CD2 3.53Å; R717-Y721 HydrophobicContact CG-CE2 3.81Å; R717-Y721 PolarHBondContact O-N 2.76Å; Y721-D723 PolarHBondContact O-N 3.48Å
722	G	91.4	Very high	91.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.249	C	C	.	.			trans	68.9	11.5	-172.8	0	0	0	0	0	113.6	Y58 A589 P718	Y58-G722 WeakPolarHBondContact CE1-O 3.39Å; Y58-G722 PolarHBondContact OH-O 3.05Å; A589-G722 WeakPolarHBondContact CB-O 3.43Å; P718-G722 WeakPolarHBondContact O-CA 3.47Å; P718-G722 PolarHBondContact O-N 2.54Å
723	D	87	Confident	91.6	Very high	42 Å²	42	49.3 Å²	49.3	23%	0.225	27%	0.273	C	S	.	.			trans	-74.8	-31.5	-169.7	57.8	-17.5	0	0	0	113.4	R717 Y721	R717-D723 IonicContact CZ-OD2 3.01Å; R717-D723 IonicContact NE-OD2 2.98Å; R717-D723 IonicContact NH2-OD2 2.78Å; R717-D723 PolarHBondContact NH2-OD2 2.82Å; R717-D723 VanDerWaalsContact NH2-OD2 3.14Å; Y721-D723 PolarHBondContact O-N 3.48Å
724	T	88.7	Confident	91.3	Very high	62 Å²	62	49.4 Å²	49.4	38%	0.38	27%	0.272	S	S	.	.	S	Bend	trans	-108.7	129.2	-179	58.9	0	0	0	0	112	P718 L726	P718-T724 WeakPolarHBondContact CB-OG1 3.31Å; P718-T724 WeakPolarHBondContact CG-OG1 3.13Å; T724-L726 PolarHBondContact O-N 3.43Å
725	S	87.1	Confident	91.1	Very high	75 Å²	75	48.8 Å²	48.8	52%	0.524	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-77.8	120.1	169.9	57.8	0	0	0	0	110.6
726	L	89	Confident	90.9	Very high	24 Å²	24	50.1 Å²	50.1	13%	0.126	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-98.4	145.4	179.7	-65.9	175.7	0	0	0	111.5	S588 P718 T724 E730 L731 L734	S588-L726 VanDerWaalsContact CB-O 3.23Å; S588-L726 WeakPolarHBondContact CB-O 3.22Å; S588-L726 PolarHBondContact OG-O 2.94Å; P718-L726 HydrophobicContact CB-CD1 3.62Å; P718-L726 HydrophobicContact CB-CD2 4.42Å; P718-L726 HydrophobicContact CB-CG 4.09Å; P718-L726 HydrophobicContact CG-CD1 4.16Å; P718-L726 HydrophobicContact CG-CD2 4.38Å; T724-L726 PolarHBondContact O-N 3.43Å; L726-E730 HydrophobicContact CB-CB 4.15Å; L726-E730 HydrophobicContact CD2-CB 4.3Å; L726-L731 HydrophobicContact CB-CD2 3.78Å; L726-L731 HydrophobicContact CB-CG 3.84Å; L726-L731 HydrophobicContact CD1-CD2 3.79Å; L726-L731 HydrophobicContact CG-CD2 4.41Å; L726-L734 HydrophobicContact CD1-CD1 3.45Å; L726-L734 VanDerWaalsContact CD1-CD1 3.45Å
727	S	89.3	Confident	90.6	Very high	52 Å²	52	52.4 Å²	52.4	36%	0.364	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-66.5	157.2	173.2	67	0	0	0	0	111.6	G729 E730 L731	S727-G729 PolarHBondContact O-N 2.77Å; S727-G729 VanDerWaalsContact O-N 3.1Å; S727-E730 WeakPolarHBondContact CB-OE2 3.46Å; S727-E730 PolarHBondContact N-OE2 3.2Å; S727-E730 PolarHBondContact O-N 2.83Å; S727-E730 VanDerWaalsContact O-N 3.11Å; S727-E730 VanDerWaalsContact OG-CD 3.25Å; S727-E730 VanDerWaalsContact OG-CG 3.27Å; S727-E730 WeakPolarHBondContact OG-CG 3.27Å; S727-E730 PolarHBondContact OG-N 2.74Å; S727-E730 PolarHBondContact OG-OE2 3.26Å; S727-L731 WeakPolarHBondContact O-CG 3.38Å; S727-L731 PolarHBondContact O-N 3.46Å
728	P	87.2	Confident	90.2	Very high	50 Å²	50	54 Å²	54	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-57.3	-25.3	175.5	-27.3	35.8	0	0	0	114.5	R732 I744	P728-R732 WeakPolarHBondContact O-CG 3.47Å; P728-R732 PolarHBondContact O-N 2.85Å; P728-R732 PolarHBondContact O-NE 2.96Å; P728-I744 HydrophobicContact CB-CG2 3.9Å
729	G	89.2	Confident	90	Very high	38 Å²	38	55.5 Å²	55.5	39%	0.392	30%	0.3	S	S	.	.	H	α-helix	trans	-74.8	-44.8	175.3	0	0	0	0	0	112.1	S727 R732 A733	S727-G729 PolarHBondContact O-N 2.77Å; S727-G729 VanDerWaalsContact O-N 3.1Å; G729-R732 WeakPolarHBondContact O-CB 3.39Å; G729-R732 PolarHBondContact O-N 2.94Å; G729-A733 PolarHBondContact O-N 3.39Å
730	E	91.1	Very high	89.8	Confident	99 Å²	99	55.3 Å²	55.3	46%	0.463	30%	0.299	S	S	.	.	H	α-helix	trans	-64.8	-40.9	175.9	-70.8	162.5	148.9	0	0	111.7	L726 S727 R732 A733 L734	L726-E730 HydrophobicContact CB-CB 4.15Å; L726-E730 HydrophobicContact CD2-CB 4.3Å; S727-E730 WeakPolarHBondContact CB-OE2 3.46Å; S727-E730 PolarHBondContact N-OE2 3.2Å; S727-E730 PolarHBondContact O-N 2.83Å; S727-E730 VanDerWaalsContact O-N 3.11Å; S727-E730 VanDerWaalsContact OG-CD 3.25Å; S727-E730 VanDerWaalsContact OG-CG 3.27Å; S727-E730 WeakPolarHBondContact OG-CG 3.27Å; S727-E730 PolarHBondContact OG-N 2.74Å; S727-E730 PolarHBondContact OG-OE2 3.26Å; E730-R732 VanDerWaalsContact C-N 3.3Å; E730-R732 PolarHBondContact O-N 3.14Å; E730-A733 WeakPolarHBondContact O-CB 3.46Å; E730-A733 PolarHBondContact O-N 3.34Å; E730-A733 VanDerWaalsContact O-N 3.08Å; E730-L734 WeakPolarHBondContact O-CG 3.42Å; E730-L734 PolarHBondContact O-N 2.82Å
731	L	90.7	Very high	89.4	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-37.9	174.7	-70.6	175.6	0	0	0	112.5	L719 L726 S727 A733 L734 R735 I742 I744	L719-L731 HydrophobicContact CD2-CD2 4.13Å; L726-L731 HydrophobicContact CB-CD2 3.78Å; L726-L731 HydrophobicContact CB-CG 3.84Å; L726-L731 HydrophobicContact CD1-CD2 3.79Å; L726-L731 HydrophobicContact CG-CD2 4.41Å; S727-L731 WeakPolarHBondContact O-CG 3.38Å; S727-L731 PolarHBondContact O-N 3.46Å; L731-A733 VanDerWaalsContact C-N 3.35Å; L731-L734 PolarHBondContact O-N 3.15Å; L731-R735 PolarHBondContact O-N 2.83Å; L731-I742 HydrophobicContact CB-CG2 4.24Å; L731-I742 HydrophobicContact CD2-CG2 4.06Å; L731-I744 HydrophobicContact CB-CG1 4.1Å
732	R	90	Very high	89.2	Confident	153 Å²	153	57.7 Å²	57.7	58%	0.577	31%	0.313	S	S	*	.	H	α-helix	trans	-65.7	-37.9	171.9	-83.9	179	-94.9	159.1	-12.3	112	P728 G729 E730 L734 R735 I744	P728-R732 WeakPolarHBondContact O-CG 3.47Å; P728-R732 PolarHBondContact O-N 2.85Å; P728-R732 PolarHBondContact O-NE 2.96Å; G729-R732 WeakPolarHBondContact O-CB 3.39Å; G729-R732 PolarHBondContact O-N 2.94Å; E730-R732 VanDerWaalsContact C-N 3.3Å; E730-R732 PolarHBondContact O-N 3.14Å; R732-L734 VanDerWaalsContact C-N 3.25Å; R732-L734 PolarHBondContact O-N 2.79Å; R732-R735 WeakPolarHBondContact O-CB 3.19Å; R732-R735 PolarHBondContact O-N 3.17Å; R732-R735 VanDerWaalsContact O-N 3.14Å; R732-I744 HydrophobicContact CG-CD1 3.54Å
733	A	91.6	Very high	89	Confident	67 Å²	67	60.4 Å²	60.4	55%	0.554	33%	0.327	S	S	*	.	H	α-helix	trans	-66.5	-26.9	176.8	0	0	0	0	0	113	G729 E730 L731 R735 W736	G729-A733 PolarHBondContact O-N 3.39Å; E730-A733 WeakPolarHBondContact O-CB 3.46Å; E730-A733 PolarHBondContact O-N 3.34Å; E730-A733 VanDerWaalsContact O-N 3.08Å; L731-A733 VanDerWaalsContact C-N 3.35Å; A733-R735 VanDerWaalsContact C-N 3.34Å; A733-W736 PolarHBondContact O-NE1 3.01Å
734	L	91	Very high	88.9	Confident	16 Å²	16	61 Å²	61	8%	0.084	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.8	173.8	-65.8	178.4	0	0	0	113.6	L716 L719 L726 E730 L731 R732 W736 I742	L716-L734 HydrophobicContact CD2-CD2 4.41Å; L719-L734 HydrophobicContact CD1-CB 4.36Å; L719-L734 HydrophobicContact CD1-CD1 3.93Å; L719-L734 HydrophobicContact CG-CD1 4.07Å; L726-L734 HydrophobicContact CD1-CD1 3.45Å; L726-L734 VanDerWaalsContact CD1-CD1 3.45Å; E730-L734 WeakPolarHBondContact O-CG 3.42Å; E730-L734 PolarHBondContact O-N 2.82Å; L731-L734 PolarHBondContact O-N 3.15Å; R732-L734 VanDerWaalsContact C-N 3.25Å; R732-L734 PolarHBondContact O-N 2.79Å; L734-W736 VanDerWaalsContact C-N 3.32Å; L734-W736 PolarHBondContact O-N 3.42Å; L734-I742 HydrophobicContact CB-CD1 4.12Å
735	R	90.2	Very high	88.3	Confident	94 Å²	94	63.3 Å²	63.3	36%	0.355	33%	0.332	S	S	.	.			trans	-81.1	77.1	176.6	-170.1	-179.4	-175.1	163.5	7.5	110.2	L731 R732 A733 K737 D738 W740 D741 I742	L731-R735 PolarHBondContact O-N 2.83Å; R732-R735 WeakPolarHBondContact O-CB 3.19Å; R732-R735 PolarHBondContact O-N 3.17Å; R732-R735 VanDerWaalsContact O-N 3.14Å; A733-R735 VanDerWaalsContact C-N 3.34Å; R735-K737 VanDerWaalsContact C-N 3.32Å; R735-K737 VanDerWaalsContact CG-O 3.25Å; R735-K737 WeakPolarHBondContact CG-O 3.43Å; R735-D738 PolarHBondContact NE-O 2.93Å; R735-D738 PolarHBondContact NH2-O 3.13Å; R735-W740 HydrophobicContact CG-CB 4.4Å; R735-W740 PolarHBondContact NE-O 3.1Å; R735-D741 IonicContact NH2-OD1 3.62Å; R735-I742 HydrophobicContact CB-CD1 4.1Å
736	W	90.3	Very high	87.4	Confident	114 Å²	114	69.1 Å²	69.1	43%	0.432	35%	0.348	S	S	.	.			trans	-76	-21.2	-179	-62.2	-10.1	0	0	0	114	I597 V712 A733 L734 W740	I597-W736 HydrophobicContact CG2-CE3 3.79Å; I597-W736 HydrophobicContact CG2-CZ3 3.58Å; V712-W736 HydrophobicContact CB-CH2 4.31Å; V712-W736 HydrophobicContact CG1-CH2 3.85Å; V712-W736 HydrophobicContact CG1-CZ3 3.79Å; V712-W736 HydrophobicContact CG2-CH2 3.79Å; V712-W736 HydrophobicContact CG2-CZ3 4.04Å; A733-W736 PolarHBondContact O-NE1 3.01Å; L734-W736 VanDerWaalsContact C-N 3.32Å; L734-W736 PolarHBondContact O-N 3.42Å; W736-W740 HydrophobicContact CB-CE3 4.4Å; W736-W740 HydrophobicContact CB-CH2 4.16Å; W736-W740 HydrophobicContact CB-CZ3 3.79Å; W736-W740 HydrophobicContact CD2-CZ3 4.41Å; W736-W740 HydrophobicContact CE3-CH2 4.27Å; W736-W740 HydrophobicContact CE3-CZ3 4.43Å; W736-W740 HydrophobicContact CG-CZ3 4.18Å
737	K	88.8	Confident	86	Confident	50 Å²	50	81.9 Å²	81.9	22%	0.217	40%	0.396	C	S	.	.	S	Bend	trans	-119.1	139.5	170.5	-71.1	-171.5	165.3	-166	0	109.8	T574 D576 R735 S739 W740	T574-K737 PolarHBondContact O-NZ 3.46Å; D576-K737 IonicContact OD1-NZ 2.98Å; D576-K737 PolarHBondContact OD1-NZ 3.37Å; R735-K737 VanDerWaalsContact C-N 3.32Å; R735-K737 VanDerWaalsContact CG-O 3.25Å; R735-K737 WeakPolarHBondContact CG-O 3.43Å; K737-S739 PolarHBondContact O-N 3Å; K737-W740 HydrophobicContact CB-CD2 4.01Å; K737-W740 HydrophobicContact CB-CG 3.96Å; K737-W740 HydrophobicContact CD-CZ2 4.28Å; K737-W740 HydrophobicContact CG-CZ2 4.31Å; K737-W740 WeakPolarHBondContact O-CB 3.5Å; K737-W740 PolarHBondContact O-N 2.52Å
738	D	86.1	Confident	85.8	Confident	143 Å²	143	83.4 Å²	83.4	77%	0.765	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-29	176	-66.3	-38.4	0	0	0	111.8	R735 W740	R735-D738 PolarHBondContact NE-O 2.93Å; R735-D738 PolarHBondContact NH2-O 3.13Å; D738-W740 PolarHBondContact O-N 2.93Å
739	S	88.3	Confident	85.7	Confident	53 Å²	53	85.1 Å²	85.1	37%	0.371	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-11.8	177.2	62.1	0	0	0	0	114.1	D576 K737 D741	D576-S739 CarbonylContact O-C 3.57Å; D576-S739 WeakPolarHBondContact O-CB 3.49Å; D576-S739 PolarHBondContact O-OG 3.02Å; K737-S739 PolarHBondContact O-N 3Å; S739-D741 PolarHBondContact O-N 2.89Å
740	W	90.7	Very high	85.5	Confident	0 Å²	0	87.7 Å²	87.7	0%	0	40%	0.402	C	S	.	.			trans	-79.9	108.9	176.4	-64.8	-5.4	0	0	0	111	L575 N578 L594 I597 R735 W736 K737 D738 I742	L575-W740 HydrophobicContact CD2-CZ2 4.09Å; L575-W740 HydrophobicContact CG-CZ2 4.41Å; L575-W740 PolarHBondContact O-NE1 3.3Å; N578-W740 WeakPolarHBondContact OD1-CA 3.41Å; L594-W740 HydrophobicContact CD1-CD2 3.87Å; L594-W740 HydrophobicContact CD1-CE3 4.3Å; L594-W740 HydrophobicContact CD1-CG 4.35Å; L594-W740 HydrophobicContact CD1-CH2 4.21Å; L594-W740 HydrophobicContact CD1-CZ2 3.76Å; L594-W740 HydrophobicContact CD1-CZ3 4.46Å; L594-W740 HydrophobicContact CD2-CD2 4.23Å; L594-W740 HydrophobicContact CD2-CE3 3.82Å; L594-W740 HydrophobicContact CD2-CH2 4.02Å; L594-W740 HydrophobicContact CD2-CZ2 4.41Å; L594-W740 HydrophobicContact CD2-CZ3 3.71Å; L594-W740 HydrophobicContact CG-CH2 4.5Å; L594-W740 HydrophobicContact CG-CZ2 4.5Å; I597-W740 HydrophobicContact CB-CH2 4.47Å; I597-W740 HydrophobicContact CD1-CH2 4.16Å; I597-W740 HydrophobicContact CD1-CZ2 4.03Å; R735-W740 HydrophobicContact CG-CB 4.4Å; R735-W740 PolarHBondContact NE-O 3.1Å; W736-W740 HydrophobicContact CB-CE3 4.4Å; W736-W740 HydrophobicContact CB-CH2 4.16Å; W736-W740 HydrophobicContact CB-CZ3 3.79Å; W736-W740 HydrophobicContact CD2-CZ3 4.41Å; W736-W740 HydrophobicContact CE3-CH2 4.27Å; W736-W740 HydrophobicContact CE3-CZ3 4.43Å; W736-W740 HydrophobicContact CG-CZ3 4.18Å; K737-W740 HydrophobicContact CB-CD2 4.01Å; K737-W740 HydrophobicContact CB-CG 3.96Å; K737-W740 HydrophobicContact CD-CZ2 4.28Å; K737-W740 HydrophobicContact CG-CZ2 4.31Å; K737-W740 WeakPolarHBondContact O-CB 3.5Å; K737-W740 PolarHBondContact O-N 2.52Å; D738-W740 PolarHBondContact O-N 2.93Å; W740-I742 VanDerWaalsContact C-N 3.25Å; W740-I742 HydrophobicContact CB-CG1 4.44Å; W740-I742 PolarHBondContact O-N 2.88Å
741	D	86.4	Confident	85.2	Confident	68 Å²	68	87.1 Å²	87.1	36%	0.364	40%	0.398	S	S	.	.			trans	-80.2	71.8	175.7	-79.6	-18.5	0	0	0	110.5	N578 H592 R735 S739	N578-D741 PolarHBondContact ND2-O 2.69Å; N578-D741 PolarHBondContact OD1-N 3.29Å; H592-D741 PolarHBondContact CE1-O 2.89Å; R735-D741 IonicContact NH2-OD1 3.62Å; S739-D741 PolarHBondContact O-N 2.89Å
742	I	88.9	Confident	84.9	Confident	7 Å²	7	92.3 Å²	92.3	4%	0.036	42%	0.422	C	S	.	.			trans	-78.1	123.3	169	-61.2	178	0	0	0	108.2	L719 L731 L734 R735 W740 I744	L719-I742 HydrophobicContact CD1-CD1 4.13Å; L731-I742 HydrophobicContact CB-CG2 4.24Å; L731-I742 HydrophobicContact CD2-CG2 4.06Å; L734-I742 HydrophobicContact CB-CD1 4.12Å; R735-I742 HydrophobicContact CB-CD1 4.1Å; W740-I742 VanDerWaalsContact C-N 3.25Å; W740-I742 HydrophobicContact CB-CG1 4.44Å; W740-I742 PolarHBondContact O-N 2.88Å; I742-I744 PolarHBondContact O-N 3.41Å
743	L	87.9	Confident	84.5	Confident	58 Å²	58	88.2 Å²	88.2	30%	0.304	41%	0.412	S	S	.	.			trans	-74.1	122.6	-174.5	-51.7	170.4	0	0	0	109.7	A580 L583 Q590	A580-L743 HydrophobicContact CB-CD1 3.9Å; A580-L743 HydrophobicContact CB-CG 4.27Å; L583-L743 HydrophobicContact CB-CD1 4.21Å; L583-L743 HydrophobicContact CD2-CD1 4.19Å; Q590-L743 PolarHBondContact NE2-O 3.05Å; Q590-L743 VanDerWaalsContact OE1-CB 3.27Å; Q590-L743 PolarHBondContact OE1-O 2.68Å
744	I	84	Confident	84	Confident	53 Å²	53	89.7 Å²	89.7	27%	0.272	40%	0.401	S	S	.	.			trans	-119.2	113.7	176	-60.3	159.3	0	0	0	107.3	P728 L731 R732 I742 K746	P728-I744 HydrophobicContact CB-CG2 3.9Å; L731-I744 HydrophobicContact CB-CG1 4.1Å; R732-I744 HydrophobicContact CG-CD1 3.54Å; I742-I744 PolarHBondContact O-N 3.41Å; I744-K746 PolarHBondContact O-N 3.38Å; I744-K746 VanDerWaalsContact O-N 3.16Å
745	R	75.8	Confident	83.5	Confident	111 Å²	111	95.4 Å²	95.4	42%	0.419	43%	0.426	S	S	.	.			trans	-61.7	118.9	173.8	-71.7	-179	179.4	-151.5	-12.3	109.3	H584 P585	H584-R745 PolarHBondContact O-NH2 2.74Å; P585-R745 VanDerWaalsContact O-CZ 3.28Å; P585-R745 PolarHBondContact O-NH1 2.74Å; P585-R745 PolarHBondContact O-NH2 3.39Å
746	K	68.6	Low	82.9	Confident	198 Å²	198	95.5 Å²	95.5	86%	0.861	43%	0.432	S	S	*	.			trans	-73.5	133.3	157	-74.7	-177.9	177.2	177.6	0	106.6	I744	I744-K746 PolarHBondContact O-N 3.38Å; I744-K746 VanDerWaalsContact O-N 3.16Å
747	Y	59.4	Low	82.3	Confident	291 Å²	291	93.8 Å²	93.8	100%	1.141	43%	0.432	S	S	*	.			trans	-31	0	-169.8	-63.1	-85.5	0	0	0	116.5

Retrieved 747 of 747 residues in 1889.7 ms (Link to these results)

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