A0A087XF94_POEFO Loading...

Atlastin GTPase 2

AlphaFold DB , UniProt , Accession A0A087XF94, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 664 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	32.3	Very low	226 Å²	226	169.4 Å²	169.4	100%	1.113	84%	0.838	S	S	*	*				0	116.5	0	-76.1	167.9	170	0	0	106.5
2	I	33.4	Very low	32.4	Very low	138 Å²	138	165.6 Å²	165.6	71%	0.708	84%	0.836	S	S	*	*				77.8	86.7	108.6	-65.3	169.7	0	0	0	109.5
3	E	30.7	Very low	32.2	Very low	159 Å²	159	167.5 Å²	167.5	74%	0.743	84%	0.84	S	S	*	*				96.5	154.3	103.5	-80	-169.2	135.1	0	0	111.2
4	N	31.1	Very low	32.4	Very low	135 Å²	135	170.5 Å²	170.5	72%	0.722	85%	0.845	S	S	*	*			cis	-143.8	171.3	-6.4	-127.8	-27.6	0	0	0	114.5
5	E	36.8	Very low	32.5	Very low	151 Å²	151	172.9 Å²	172.9	71%	0.706	85%	0.848	S	S	*	*			trans	-78.4	160.1	-174.6	-165.6	-165.8	-119.1	0	0	115
6	Q	31.2	Very low	32.7	Very low	170 Å²	170	173.9 Å²	173.9	79%	0.794	85%	0.847	S	S	*	*			trans	132.5	153.1	136.6	-67.5	-156.9	7.6	0	0	119.9
7	M	35.6	Very low	33	Very low	192 Å²	192	171.3 Å²	171.3	95%	0.946	85%	0.847	S	S	*	*			trans	-90.5	147.8	-176.7	-69.2	179.8	-88.1	0	0	113.6
8	G	29.5	Very low	33	Very low	81 Å²	81	168.4 Å²	168.4	84%	0.835	85%	0.845	S	S	*	*			trans	-127.3	136	167	0	0	0	0	0	112.7
9	K	33.4	Very low	33.3	Very low	206 Å²	206	163.9 Å²	163.9	90%	0.896	83%	0.83	S	S	*	*			trans	-97.5	136.8	-172.8	-74.1	174.1	178.8	167.8	0	114.3
10	K	31.5	Very low	33.7	Very low	203 Å²	203	165.7 Å²	165.7	88%	0.883	83%	0.832	S	S	*	*			trans	33.3	123.5	149.3	-67.6	-174.8	175.7	-177.8	0	120
11	K	29	Very low	34.1	Very low	202 Å²	202	161.1 Å²	161.1	88%	0.878	82%	0.821	S	S	*	*				-154	130.4	129.5	-109.7	170.1	-172.3	173.6	0	110.6
12	P	33.3	Very low	34.6	Very low	124 Å²	124	154.2 Å²	154.2	81%	0.805	79%	0.791	S	S	*	*			trans	-82.7	137.4	178.1	32.3	-33.1	0	0	0	111.7
13	Q	30.8	Very low	35	Very low	191 Å²	191	151 Å²	151	89%	0.893	79%	0.786	S	S	*	*			trans	-78.3	139.3	170.8	-75.1	-175	-14.9	0	0	111.3	K15	Q13-K15 PolarHBondContact O-N 3.31Å
14	K	34.3	Very low	35.6	Very low	209 Å²	209	145.7 Å²	145.7	91%	0.909	77%	0.768	S	S	*	*			trans	-71.2	114.4	173.4	-65.6	179.7	177.9	-179	0	110.1
15	K	34.2	Very low	36.2	Very low	206 Å²	206	141.9 Å²	141.9	90%	0.896	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-78.2	129.8	162.8	-72.3	-172.1	175.9	-176.9	0	109.5	Q13	Q13-K15 PolarHBondContact O-N 3.31Å
16	K	35.8	Very low	36.4	Very low	189 Å²	189	143.6 Å²	143.6	82%	0.822	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-78.4	153	166.3	-66.8	-178.7	179.4	-179.8	0	109.3
17	P	37.5	Very low	36.9	Very low	130 Å²	130	137.6 Å²	137.6	84%	0.844	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-70.9	129.9	172.1	29.4	-33.4	0	0	0	110.6
18	C	32.2	Very low	37.3	Very low	120 Å²	120	136.7 Å²	136.7	81%	0.811	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-80.3	144.3	162	-68.7	0	0	0	0	109.2
19	S	39.5	Very low	37.9	Very low	82 Å²	82	136.2 Å²	136.2	57%	0.573	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-79.6	156.9	178	75.6	0	0	0	0	111.8	A21 T22	S19-A21 PolarHBondContact O-N 3.28Å; S19-A21 VanDerWaalsContact O-N 3.1Å; S19-T22 PolarHBondContact O-N 3.41Å
20	F	40.2	Very low	38.4	Very low	199 Å²	199	131.6 Å²	131.6	87%	0.873	69%	0.694	S	S	*	*	H	α-helix	trans	-59.8	-20.6	-179.8	-107.7	-108.5	0	0	0	114.1	T22	F20-T22 PolarHBondContact O-N 3.4Å
21	A	43.2	Very low	38.8	Very low	71 Å²	71	129.9 Å²	129.9	59%	0.587	69%	0.687	S	S	*	*	H	α-helix	trans	-63.5	-36.4	-177.6	0	0	0	0	0	113.3	S19 A24 A25	S19-A21 PolarHBondContact O-N 3.28Å; S19-A21 VanDerWaalsContact O-N 3.1Å; A21-A24 PolarHBondContact O-N 3.4Å; A21-A25 PolarHBondContact O-N 3.48Å
22	T	43.5	Very low	39.5	Very low	80 Å²	80	126.6 Å²	126.6	49%	0.491	68%	0.675	S	S	.	*	H	α-helix	trans	-73	-33.3	-172.7	-36.5	0	0	0	0	112.7	S19 F20 A25 W26	S19-T22 PolarHBondContact O-N 3.41Å; F20-T22 PolarHBondContact O-N 3.4Å; T22-A25 PolarHBondContact O-N 3.01Å; T22-W26 PolarHBondContact O-N 3.19Å
23	A	40.7	Very low	39.8	Very low	72 Å²	72	126.7 Å²	126.7	60%	0.595	66%	0.664	S	S	*	*	H	α-helix	trans	-66.8	-41	175.3	0	0	0	0	0	111.8	A25 W26 G27	A23-A25 PolarHBondContact O-N 2.86Å; A23-W26 PolarHBondContact O-N 3.07Å; A23-G27 PolarHBondContact O-N 2.68Å; A23-G27 VanDerWaalsContact O-N 3.08Å
24	A	43.9	Very low	40.3	Very low	46 Å²	46	120.4 Å²	120.4	38%	0.38	65%	0.645	S	S	.	*	H	α-helix	trans	-70.4	-9.8	177.3	0	0	0	0	0	114.1	A21 R28	A21-A24 PolarHBondContact O-N 3.4Å; A24-R28 PolarHBondContact O-NE 3.23Å; A24-R28 PolarHBondContact O-NH2 2.97Å
25	A	43.7	Very low	40.6	Very low	56 Å²	56	113.1 Å²	113.1	46%	0.463	62%	0.624	S	S	.	*	H	α-helix	trans	-85.8	-47.9	169.1	0	0	0	0	0	111.2	A21 T22 A23 G27 R28 S29	A21-A25 PolarHBondContact O-N 3.48Å; T22-A25 PolarHBondContact O-N 3.01Å; A23-A25 PolarHBondContact O-N 2.86Å; A25-G27 PolarHBondContact O-N 2.77Å; A25-R28 PolarHBondContact O-N 3.43Å; A25-S29 PolarHBondContact O-N 3.35Å; A25-S29 VanDerWaalsContact O-N 3.09Å
26	W	41.4	Very low	40.8	Very low	187 Å²	187	111.7 Å²	111.7	71%	0.708	61%	0.613	S	S	*	*	H	α-helix	trans	-62	-42	179.1	-86.7	63.9	0	0	0	112.9	T22 A23 R28 S29 L30	T22-W26 PolarHBondContact O-N 3.19Å; A23-W26 PolarHBondContact O-N 3.07Å; W26-R28 VanDerWaalsContact C-N 3.33Å; W26-R28 PolarHBondContact O-N 3.47Å; W26-S29 PolarHBondContact O-N 3.25Å; W26-L30 PolarHBondContact O-N 2.59Å
27	G	41.9	Very low	41.1	Very low	43 Å²	43	107.8 Å²	107.8	44%	0.443	60%	0.597	S	S	.	*	H	α-helix	trans	-59.9	-40.1	177	0	0	0	0	0	113.4	A23 A25 F31	A23-G27 PolarHBondContact O-N 2.68Å; A23-G27 VanDerWaalsContact O-N 3.08Å; A25-G27 PolarHBondContact O-N 2.77Å; G27-F31 PolarHBondContact O-N 2.9Å; G27-F31 VanDerWaalsContact O-N 3.11Å
28	R	43.5	Very low	41.2	Very low	174 Å²	174	108.6 Å²	108.6	66%	0.657	59%	0.59	S	S	*	*	H	α-helix	trans	-71	-37.6	176.9	-83.5	179.3	-78.6	-157.8	-2.7	112.7	A24 A25 W26 F31 Q32	A24-R28 PolarHBondContact O-NE 3.23Å; A24-R28 PolarHBondContact O-NH2 2.97Å; A25-R28 PolarHBondContact O-N 3.43Å; W26-R28 VanDerWaalsContact C-N 3.33Å; W26-R28 PolarHBondContact O-N 3.47Å; R28-F31 PolarHBondContact O-N 3.3Å; R28-Q32 PolarHBondContact O-N 3.38Å
29	S	43.3	Very low	41.5	Very low	70 Å²	70	110 Å²	110	49%	0.49	59%	0.589	S	S	.	*	H	α-helix	trans	-59.8	-47.8	173.6	-168.4	0	0	0	0	111.7	A25 W26 Q32 Q33	A25-S29 PolarHBondContact O-N 3.35Å; A25-S29 VanDerWaalsContact O-N 3.09Å; W26-S29 PolarHBondContact O-N 3.25Å; S29-Q32 PolarHBondContact O-N 2.94Å; S29-Q33 WeakPolarHBondContact O-CB 3.02Å; S29-Q33 PolarHBondContact O-N 3.47Å
30	L	43.1	Very low	41.4	Very low	109 Å²	109	113 Å²	113	57%	0.571	59%	0.591	S	S	*	*	H	α-helix	trans	-63.8	-40.8	178.6	-77.9	163.7	0	0	0	112.4	W26 Q33 A34	W26-L30 PolarHBondContact O-N 2.59Å; L30-Q33 PolarHBondContact O-N 2.91Å; L30-A34 PolarHBondContact O-N 3.03Å
31	F	40.3	Very low	41.4	Very low	168 Å²	168	111.1 Å²	111.1	74%	0.737	59%	0.587	S	S	*	*	H	α-helix	trans	-66.6	-40.6	178.6	-146.9	-92.6	0	0	0	112.3	G27 R28 Q33 A35	G27-F31 PolarHBondContact O-N 2.9Å; G27-F31 VanDerWaalsContact O-N 3.11Å; R28-F31 PolarHBondContact O-N 3.3Å; F31-Q33 VanDerWaalsContact C-N 3.27Å; F31-Q33 PolarHBondContact O-N 3.35Å; F31-A35 WeakPolarHBondContact O-CB 3Å; F31-A35 PolarHBondContact O-N 3.16Å; F31-A35 VanDerWaalsContact O-N 3.08Å
32	Q	42.7	Very low	41.3	Very low	133 Å²	133	115.1 Å²	115.1	62%	0.621	60%	0.598	S	S	*	*	H	α-helix	trans	-68.4	-23.2	172.2	-89.8	-173.4	-28.4	0	0	113.7	R28 S29 R36	R28-Q32 PolarHBondContact O-N 3.38Å; S29-Q32 PolarHBondContact O-N 2.94Å; Q32-R36 VanDerWaalsContact O-CG 3.28Å; Q32-R36 WeakPolarHBondContact O-CG 3.28Å; Q32-R36 PolarHBondContact O-N 3.13Å
33	Q	40.6	Very low	40.9	Very low	125 Å²	125	117 Å²	117	58%	0.584	61%	0.605	S	S	*	*	H	α-helix	trans	-81.5	-40.9	177.4	-155.9	162.7	7	0	0	111.3	S29 L30 F31 R36 E37	S29-Q33 WeakPolarHBondContact O-CB 3.02Å; S29-Q33 PolarHBondContact O-N 3.47Å; L30-Q33 PolarHBondContact O-N 2.91Å; F31-Q33 VanDerWaalsContact C-N 3.27Å; F31-Q33 PolarHBondContact O-N 3.35Å; Q33-R36 PolarHBondContact O-N 3.28Å; Q33-E37 PolarHBondContact O-N 3Å
34	A	41.2	Very low	41.2	Very low	60 Å²	60	119 Å²	119	50%	0.496	61%	0.609	S	S	.	*	H	α-helix	trans	-60.9	-48.8	171.8	0	0	0	0	0	112.1	L30 R36 E37 E38	L30-A34 PolarHBondContact O-N 3.03Å; A34-R36 PolarHBondContact O-N 3.44Å; A34-R36 VanDerWaalsContact O-N 3.08Å; A34-E37 PolarHBondContact O-N 3.45Å; A34-E38 PolarHBondContact O-N 2.85Å
35	A	40.3	Very low	41	Very low	55 Å²	55	120.1 Å²	120.1	46%	0.455	61%	0.614	S	S	.	*	H	α-helix	trans	-63.3	-15.4	178.1	0	0	0	0	0	114.2	F31	F31-A35 WeakPolarHBondContact O-CB 3Å; F31-A35 PolarHBondContact O-N 3.16Å; F31-A35 VanDerWaalsContact O-N 3.08Å
36	R	38.5	Very low	40.7	Very low	176 Å²	176	123.8 Å²	123.8	66%	0.664	62%	0.622	S	S	*	*	H	α-helix	trans	-93	-11.7	175	-80.2	179.5	176.5	-163.3	0.4	114.4	Q32 Q33 A34 K40	Q32-R36 VanDerWaalsContact O-CG 3.28Å; Q32-R36 WeakPolarHBondContact O-CG 3.28Å; Q32-R36 PolarHBondContact O-N 3.13Å; Q33-R36 PolarHBondContact O-N 3.28Å; A34-R36 PolarHBondContact O-N 3.44Å; A34-R36 VanDerWaalsContact O-N 3.08Å; R36-K40 WeakPolarHBondContact O-CE 3.39Å
37	E	42.3	Very low	40.7	Very low	108 Å²	108	119.9 Å²	119.9	51%	0.505	62%	0.619	S	S	.	*	H	α-helix	trans	-92.4	-41.7	173.1	-72.3	-64.9	110	0	0	111.2	Q33 A34 L39 K40	Q33-E37 PolarHBondContact O-N 3Å; A34-E37 PolarHBondContact O-N 3.45Å; E37-L39 VanDerWaalsContact C-N 3.31Å; E37-L39 PolarHBondContact O-N 3.38Å; E37-K40 PolarHBondContact O-N 2.9Å; E37-K40 VanDerWaalsContact O-N 3.08Å; E37-K40 IonicContact OE1-NZ 2.69Å; E37-K40 PolarHBondContact OE1-NZ 3.47Å
38	E	39.9	Very low	40.5	Very low	147 Å²	147	127.6 Å²	127.6	69%	0.687	63%	0.634	S	S	*	*	H	α-helix	trans	-61.8	-38.7	174.7	-69.1	-160.9	136.9	0	0	112.4	A34 K40 M41	A34-E38 PolarHBondContact O-N 2.85Å; E38-K40 PolarHBondContact O-N 3.37Å; E38-M41 PolarHBondContact O-N 3.07Å
39	L	38.4	Very low	40.3	Very low	150 Å²	150	125.1 Å²	125.1	79%	0.785	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-2.1	176.9	-133.5	77.4	0	0	0	114.5	E37	E37-L39 VanDerWaalsContact C-N 3.31Å; E37-L39 PolarHBondContact O-N 3.38Å
40	K	37.3	Very low	40	Very low	143 Å²	143	126.5 Å²	126.5	62%	0.622	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-11.8	171.4	-66.9	175.5	-171.9	163.3	0	113.9	R36 E37 E38 L42	R36-K40 WeakPolarHBondContact O-CE 3.39Å; E37-K40 PolarHBondContact O-N 2.9Å; E37-K40 VanDerWaalsContact O-N 3.08Å; E37-K40 IonicContact OE1-NZ 2.69Å; E37-K40 PolarHBondContact OE1-NZ 3.47Å; E38-K40 PolarHBondContact O-N 3.37Å; K40-L42 VanDerWaalsContact C-N 3.3Å
41	M	40.2	Very low	39.9	Very low	160 Å²	160	127 Å²	127	79%	0.788	63%	0.63	S	S	*	*	S	Bend	trans	-86.6	3.6	180	-96.5	-171.3	-75	0	0	114.2	E38	E38-M41 PolarHBondContact O-N 3.07Å
42	L	40.9	Very low	39.7	Very low	155 Å²	155	122.3 Å²	122.3	81%	0.812	62%	0.618	S	S	*	*			trans	-109.8	55.2	177.6	-80.1	161.5	0	0	0	112.4	K40	K40-L42 VanDerWaalsContact C-N 3.3Å
43	D	35.6	Very low	39.4	Very low	119 Å²	119	122.1 Å²	122.1	64%	0.636	62%	0.615	S	S	*	*			trans	-86	136.8	165.2	179.6	38.6	0	0	0	111.6	S45	D43-S45 PolarHBondContact O-N 3.06Å; D43-S45 VanDerWaalsContact O-N 3.16Å; D43-S45 WeakPolarHBondContact OD2-CB 3.31Å; D43-S45 PolarHBondContact OD2-OG 3.23Å
44	V	46.5	Very low	39.2	Very low	114 Å²	114	123.2 Å²	123.2	69%	0.691	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	20.5	-165.6	-169.3	0	0	0	0	111.5
45	S	39.8	Very low	39.1	Very low	70 Å²	70	124.2 Å²	124.2	49%	0.49	63%	0.631	S	S	.	*	H	α-helix	trans	-85.5	-34	-174.1	55.9	0	0	0	0	114.2	D43	D43-S45 PolarHBondContact O-N 3.06Å; D43-S45 VanDerWaalsContact O-N 3.16Å; D43-S45 WeakPolarHBondContact OD2-CB 3.31Å; D43-S45 PolarHBondContact OD2-OG 3.23Å
46	H	37.7	Very low	38.9	Very low	133 Å²	133	130.5 Å²	130.5	62%	0.616	65%	0.647	S	S	*	*	H	α-helix	trans	-77.7	-38.9	-170.5	-148.2	85	0	0	0	114.2	R48 F49	H46-R48 VanDerWaalsContact C-N 3.35Å; H46-R48 PolarHBondContact O-N 2.97Å; H46-F49 PolarHBondContact O-N 3.21Å
47	V	41.1	Very low	38.7	Very low	106 Å²	106	126.3 Å²	126.3	64%	0.642	65%	0.65	S	S	*	*	H	α-helix	trans	-65.7	-38.4	-179.5	-179.7	0	0	0	0	111.4	F49 Q50 L51	V47-F49 PolarHBondContact O-N 3.34Å; V47-Q50 PolarHBondContact O-N 3.08Å; V47-L51 HydrophobicContact CG1-CD1 4.29Å; V47-L51 PolarHBondContact O-N 3.5Å
48	R	38.2	Very low	38.4	Very low	204 Å²	204	126.2 Å²	126.2	77%	0.77	66%	0.662	S	S	*	*	H	α-helix	trans	-65.1	-25.5	179.5	-128.8	172.7	-174.2	161.3	2	112.9	H46 S52	H46-R48 VanDerWaalsContact C-N 3.35Å; H46-R48 PolarHBondContact O-N 2.97Å; R48-S52 WeakPolarHBondContact O-CB 3.4Å; R48-S52 PolarHBondContact O-N 3.1Å
49	F	37.8	Very low	37.9	Very low	123 Å²	123	122.6 Å²	122.6	54%	0.539	66%	0.664	S	S	.	*	H	α-helix	trans	-75.6	-35.5	178.6	-166.5	-107.2	0	0	0	113.1	H46 V47 K53	H46-F49 PolarHBondContact O-N 3.21Å; V47-F49 PolarHBondContact O-N 3.34Å; F49-K53 PolarHBondContact O-N 3.23Å
50	Q	37.1	Very low	38.1	Very low	99 Å²	99	121.4 Å²	121.4	46%	0.463	67%	0.666	S	S	.	*	H	α-helix	trans	-74	-44	179.9	-67.5	-66.6	-0.2	0	0	112.5	V47 S52 K53 M54	V47-Q50 PolarHBondContact O-N 3.08Å; Q50-S52 PolarHBondContact O-N 2.89Å; Q50-K53 PolarHBondContact O-N 3.12Å; Q50-M54 PolarHBondContact O-N 3.07Å
51	L	40.5	Very low	37.5	Very low	118 Å²	118	126 Å²	126	62%	0.618	68%	0.679	S	S	*	*	H	α-helix	trans	-59.5	-36.2	175.7	-72.2	165.4	0	0	0	112	V47 K53 M54 A55	V47-L51 HydrophobicContact CG1-CD1 4.29Å; V47-L51 PolarHBondContact O-N 3.5Å; L51-K53 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 2.87Å; L51-M54 PolarHBondContact O-N 3.16Å; L51-A55 PolarHBondContact O-N 3.12Å
52	S	37.8	Very low	36.8	Very low	71 Å²	71	125.4 Å²	125.4	50%	0.497	68%	0.679	S	S	.	*	H	α-helix	trans	-64.4	-32.1	174.9	-173.6	0	0	0	0	113.6	R48 Q50	R48-S52 WeakPolarHBondContact O-CB 3.4Å; R48-S52 PolarHBondContact O-N 3.1Å; Q50-S52 PolarHBondContact O-N 2.89Å
53	K	35.1	Very low	36.3	Very low	129 Å²	129	129.6 Å²	129.6	56%	0.561	68%	0.684	S	S	*	*	H	α-helix	trans	-75.3	-40.5	175.6	-84.6	-170.8	173.1	-175.5	0	112.9	F49 Q50 L51 K56	F49-K53 PolarHBondContact O-N 3.23Å; Q50-K53 PolarHBondContact O-N 3.12Å; L51-K53 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 2.87Å; K53-K56 PolarHBondContact O-N 2.72Å
54	M	36.7	Very low	35.8	Very low	147 Å²	147	131.1 Å²	131.1	72%	0.724	69%	0.692	S	S	*	*	H	α-helix	trans	-64.9	-40.3	178.9	-72	-174.9	168.7	0	0	111.9	Q50 L51 K56 A57	Q50-M54 PolarHBondContact O-N 3.07Å; L51-M54 PolarHBondContact O-N 3.16Å; M54-K56 PolarHBondContact O-N 3.44Å; M54-A57 PolarHBondContact O-N 3.44Å
55	A	39.8	Very low	34.9	Very low	82 Å²	82	133 Å²	133	68%	0.678	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-3.5	176.2	0	0	0	0	0	115.2	L51	L51-A55 PolarHBondContact O-N 3.12Å
56	K	36.6	Very low	34.3	Very low	186 Å²	186	139.1 Å²	139.1	81%	0.809	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	3.4	178.4	-94.1	179.7	174	175.8	0	114.7	K53 M54	K53-K56 PolarHBondContact O-N 2.72Å; M54-K56 PolarHBondContact O-N 3.44Å
57	A	34.1	Very low	33.6	Very low	88 Å²	88	135.9 Å²	135.9	73%	0.727	71%	0.714	S	S	*	*	S	Bend	trans	-88.3	-9.4	-179.2	0	0	0	0	0	114.3	M54	M54-A57 PolarHBondContact O-N 3.44Å
58	S	34.5	Very low	32.9	Very low	106 Å²	106	142.4 Å²	142.4	74%	0.741	73%	0.729	S	S	*	*			trans	-117.1	90	-169	58.1	0	0	0	0	113.9
59	G	30.9	Very low	32.3	Very low	72 Å²	72	139.8 Å²	139.8	74%	0.742	73%	0.73	S	S	*	*			trans	153.6	170.8	159	0	0	0	0	0	114.4
60	P	41.1	Very low	31.7	Very low	125 Å²	125	139.3 Å²	139.3	81%	0.812	74%	0.742	S	S	*	*			cis	-119.8	153.8	-21.9	37.8	-26.4	0	0	0	111.8
61	R	25.8	Very low	31.3	Very low	239 Å²	239	144.3 Å²	144.3	90%	0.902	76%	0.762	S	S	*	*			trans	-157.3	143.7	161.5	-118.2	160.5	-171	173.2	2.8	115.1
62	N	26.3	Very low	30.6	Very low	147 Å²	147	144.1 Å²	144.1	79%	0.786	77%	0.771	S	S	*	*			trans	53.1	80	165.5	-64.9	11.6	0	0	0	118.6
63	R	28.8	Very low	30.1	Very low	244 Å²	244	151.4 Å²	151.4	92%	0.921	79%	0.788	S	S	*	*			trans	-77	125.9	137.4	-102.9	-178.1	170.1	170.3	-3.2	109
64	N	26.5	Very low	29.7	Very low	150 Å²	150	150.9 Å²	150.9	80%	0.802	79%	0.79	S	S	*	*			trans	-172.6	147.8	158	-96.6	-15.1	0	0	0	106.5
65	H	27	Very low	29.3	Very low	154 Å²	154	151.2 Å²	151.2	71%	0.713	79%	0.79	S	S	*	*			cis	-162.5	173.7	-34.6	-154.6	77.9	0	0	0	104.9
66	F	26.4	Very low	28.7	Very low	198 Å²	198	154.6 Å²	154.6	87%	0.868	80%	0.797	S	S	*	*			trans	66.3	140.2	-172.3	-53.9	-92.6	0	0	0	114.7
67	G	24.4	Very low	28.3	Very low	66 Å²	66	154.8 Å²	154.8	68%	0.68	80%	0.8	S	S	*	*			cis	148.7	135.2	-14.3	0	0	0	0	0	113.3
68	Y	24.6	Very low	27.9	Very low	242 Å²	242	153.9 Å²	153.9	95%	0.949	80%	0.8	S	S	*	*			trans	-135	138.3	157.3	-111.9	-89	0	0	0	109.3
69	N	26.2	Very low	27.6	Very low	149 Å²	149	157.6 Å²	157.6	80%	0.797	80%	0.803	S	S	*	*			trans	-150.4	122.6	-171.9	-179.8	26	0	0	0	109
70	S	26.6	Very low	27.5	Very low	114 Å²	114	161 Å²	161	80%	0.797	80%	0.797	S	S	*	*			trans	-157	117.8	170	53.4	0	0	0	0	110.6
71	K	27.9	Very low	26.9	Very low	204 Å²	204	161 Å²	161	89%	0.887	79%	0.79	S	S	*	*			trans	-119.2	137.3	172.9	-93.7	-172.8	173.4	-177	0	110.3
72	S	25.9	Very low	27.1	Very low	114 Å²	114	157 Å²	157	80%	0.797	78%	0.783	S	S	*	*			trans	-160.2	130.3	157.4	39.9	0	0	0	0	106.1
73	R	26.9	Very low	27.4	Very low	224 Å²	224	157.6 Å²	157.6	85%	0.845	78%	0.782	S	S	*	*			cis	69.3	129.6	24.2	-136.1	-151.7	-178.9	-173.9	-4.2	111.8
74	L	27.9	Very low	27.4	Very low	117 Å²	117	153.7 Å²	153.7	61%	0.613	78%	0.779	S	S	*	*			cis	-113.6	-157.7	-4.1	-56.3	134.8	0	0	0	108.4
75	E	26.8	Very low	27.5	Very low	154 Å²	154	149.4 Å²	149.4	72%	0.72	77%	0.77	S	S	*	*			cis	-134.8	-179.4	-7.8	-124.4	86.3	-128.6	0	0	104.8
76	D	26.8	Very low	28.1	Very low	153 Å²	153	147.6 Å²	147.6	82%	0.818	77%	0.772	S	S	*	*			cis	93.2	148.8	22.3	-134.2	-12.4	0	0	0	117.7
77	E	28.9	Very low	28.3	Very low	190 Å²	190	145.7 Å²	145.7	89%	0.888	77%	0.77	S	S	*	*			trans	98.8	144.9	-172.7	-70.6	-75.1	149.9	0	0	119.1
78	G	26.1	Very low	28.6	Very low	69 Å²	69	149.6 Å²	149.6	71%	0.711	77%	0.773	S	S	*	*			trans	132	25.8	144.7	0	0	0	0	0	126.1
79	F	27.1	Very low	28.7	Very low	184 Å²	184	148.7 Å²	148.7	81%	0.807	77%	0.768	S	S	*	*			trans	35.2	125.3	148.6	-110.9	-139.3	0	0	0	124.8
80	K	29.3	Very low	28.8	Very low	145 Å²	145	153.1 Å²	153.1	63%	0.63	77%	0.774	S	S	*	*			trans	63.9	155	134.6	-73.7	-172.2	155.5	-86.7	0	121.8
81	D	29.4	Very low	28.7	Very low	123 Å²	123	151.9 Å²	151.9	66%	0.658	77%	0.765	S	S	*	*			cis	-156.7	175.7	1.1	-117.9	-11.9	0	0	0	111.8
82	M	29.6	Very low	28.7	Very low	155 Å²	155	149 Å²	149	76%	0.764	76%	0.755	S	S	*	*			trans	98.4	102.5	148	-145.4	152.2	-168.6	0	0	122.4
83	E	32.2	Very low	28.7	Very low	161 Å²	161	153.8 Å²	153.8	75%	0.752	76%	0.755	S	S	*	*				48.9	145.3	128	-64.8	176	176.3	0	0	123.6
84	D	29.9	Very low	28.6	Very low	161 Å²	161	147.4 Å²	147.4	86%	0.861	75%	0.751	S	S	*	*			cis	-167.1	163	-22.8	-157.3	-2.2	0	0	0	111
85	G	28.6	Very low	29.2	Very low	60 Å²	60	147 Å²	147	62%	0.619	76%	0.755	S	S	*	*			trans	98.6	159	159.9	0	0	0	0	0	119.8
86	P	39.7	Very low	29.3	Very low	117 Å²	117	147.6 Å²	147.6	76%	0.76	76%	0.762	S	S	*	*				-138.7	165.5	-106.1	40.9	-26.8	0	0	0	119.1
87	I	30.7	Very low	29.3	Very low	158 Å²	158	144.6 Å²	144.6	81%	0.81	76%	0.759	S	S	*	*			trans	73.6	138.2	146.6	-82.8	167.7	0	0	0	118.8
88	I	29.3	Very low	29.2	Very low	147 Å²	147	147 Å²	147	75%	0.754	76%	0.76	S	S	*	*			cis	-148.6	-95.5	-13.4	-171.2	165.4	0	0	0	115.3
89	R	27.9	Very low	30.5	Very low	223 Å²	223	148.7 Å²	148.7	84%	0.842	76%	0.758	S	S	*	*			trans	-158.8	140.9	-162	-72.9	-179.4	174.4	176.5	-1.5	117.2
90	R	26.8	Very low	30.5	Very low	242 Å²	242	148.1 Å²	148.1	91%	0.913	76%	0.758	S	S	*	*			trans	36.3	125.2	136.3	-77	-174.5	172.9	-179.6	-1.6	123.5
91	S	25.1	Very low	30.4	Very low	89 Å²	89	147.9 Å²	147.9	62%	0.622	76%	0.763	S	S	*	*				93.8	118.8	112.4	-176	0	0	0	0	124.8
92	Q	28	Very low	30.3	Very low	142 Å²	142	149 Å²	149	66%	0.664	77%	0.769	S	S	*	*			trans	95.5	135.8	134.3	-92.1	-177.5	64	0	0	125.3
93	R	25.6	Very low	30.2	Very low	216 Å²	216	149.2 Å²	149.2	82%	0.815	77%	0.77	S	S	*	*			trans	74.1	121.1	153.9	-66.7	171.6	-166.9	-144.3	-1.8	118
94	A	24.4	Very low	29.9	Very low	90 Å²	90	149.3 Å²	149.3	74%	0.744	78%	0.775	S	S	*	*				99.2	170.6	61.4	0	0	0	0	0	111.3
95	P	42	Very low	29.7	Very low	107 Å²	107	145.1 Å²	145.1	70%	0.695	77%	0.77	S	S	*	*			cis	-145.2	-176.7	5	46.7	-28.1	0	0	0	118.3
96	L	28.4	Very low	29.6	Very low	167 Å²	167	149.5 Å²	149.5	87%	0.874	78%	0.779	S	S	*	*			trans	61.4	157.3	147.8	-72	160	0	0	0	120.8
97	A	26.6	Very low	29	Very low	91 Å²	91	151 Å²	151	75%	0.752	78%	0.78	S	S	*	*			cis	-156.7	-165.7	-8.4	0	0	0	0	0	112.3
98	R	26.2	Very low	28.8	Very low	241 Å²	241	150 Å²	150	91%	0.909	78%	0.776	S	S	*	*			trans	-112.9	-158.6	-171.5	-58.7	-179	177.9	175.5	-2.5	113.7
99	P	53.2	Low	28.7	Very low	103 Å²	103	154.7 Å²	154.7	67%	0.669	78%	0.784	S	S	*	*				-127.6	-176.4	-75.1	36	-17	0	0	0	114.3
100	E	28.5	Very low	28.5	Very low	173 Å²	173	150.1 Å²	150.1	81%	0.808	78%	0.78	S	S	*	*				164.9	146.9	128.8	-90.6	168.1	-167.8	0	0	116.3
101	D	26.9	Very low	28.5	Very low	139 Å²	139	145.3 Å²	145.3	74%	0.743	77%	0.772	S	S	*	*			trans	62	145.2	143.5	-71.5	16.5	0	0	0	129.8
102	L	26.3	Very low	28.6	Very low	148 Å²	148	146.7 Å²	146.7	78%	0.775	78%	0.776	S	S	*	*			trans	84.4	104.1	143.6	-112.2	67.3	0	0	0	125.6
103	M	27.2	Very low	29	Very low	159 Å²	159	145 Å²	145	78%	0.783	78%	0.777	S	S	*	*				54	139.3	128.6	-63.2	-59.2	-159.9	0	0	126.4
104	D	26	Very low	29	Very low	162 Å²	162	142.3 Å²	142.3	87%	0.866	77%	0.774	S	S	*	*			trans	63.4	142.1	145.7	-74.1	-36.7	0	0	0	123.6
105	G	26.6	Very low	29	Very low	74 Å²	74	143.5 Å²	143.5	76%	0.763	78%	0.777	S	S	*	*			trans	175.2	29.5	-178.5	0	0	0	0	0	120.7
106	L	25.9	Very low	28.3	Very low	151 Å²	151	147 Å²	147	79%	0.791	78%	0.778	S	S	*	*			trans	21.8	130.2	156.7	-89.6	159.2	0	0	0	122.1
107	N	26.6	Very low	28.3	Very low	148 Å²	148	147.4 Å²	147.4	79%	0.791	78%	0.775	S	S	*	*				-161.9	101.7	125.5	-109	-40.9	0	0	0	116.4
108	I	28.4	Very low	28.2	Very low	139 Å²	139	148.6 Å²	148.6	71%	0.713	78%	0.778	S	S	*	*			trans	42.5	124.3	137.6	-54.2	175.7	0	0	0	120.7
109	R	25.8	Very low	28.2	Very low	245 Å²	245	145 Å²	145	93%	0.925	78%	0.777	S	S	*	*			trans	-122.9	159.8	153.5	-84.5	-175	172.4	-175.8	-1.6	110.2
110	T	24.1	Very low	26.8	Very low	126 Å²	126	145.4 Å²	145.4	77%	0.773	78%	0.782	S	S	*	*			trans	-96.7	113.4	-174	-42.6	0	0	0	0	113.2
111	I	27.6	Very low	26.9	Very low	142 Å²	142	145.2 Å²	145.2	73%	0.728	79%	0.785	S	S	*	*				24.3	132.3	123.5	-70.2	167.6	0	0	0	116.6
112	T	26.8	Very low	26.9	Very low	118 Å²	118	143.6 Å²	143.6	72%	0.724	79%	0.785	S	S	*	*			cis	-177.2	-170.8	-1.4	33.9	0	0	0	0	107.2
113	P	35.9	Very low	27.1	Very low	105 Å²	105	142.6 Å²	142.6	68%	0.682	79%	0.787	S	S	*	*			cis	-130.9	155.6	-20	20.9	3.2	0	0	0	116.8
114	E	26.6	Very low	27.1	Very low	160 Å²	160	140.1 Å²	140.1	75%	0.748	79%	0.786	S	S	*	*			trans	21.4	137.5	134.6	-52.2	177.2	149.6	0	0	124.7
115	S	24.7	Very low	28	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	78%	0.779	S	S	*	*				-158.6	106.3	125.2	69.5	0	0	0	0	114.8
116	Y	27.1	Very low	28.1	Very low	179 Å²	179	141.1 Å²	141.1	70%	0.702	78%	0.78	S	S	*	*			trans	6.8	122.2	160	-63	-85.7	0	0	0	124.9
117	Q	27	Very low	28.4	Very low	176 Å²	176	142.2 Å²	142.2	82%	0.822	78%	0.781	S	S	*	*				33.2	132.9	123.9	-67.2	179.9	-49.5	0	0	123.1
118	S	25.2	Very low	28.5	Very low	117 Å²	117	139 Å²	139	82%	0.818	78%	0.782	S	S	*	*				-170.6	131.6	107	63.6	0	0	0	0	113.3
119	D	25	Very low	28.7	Very low	164 Å²	164	139.9 Å²	139.9	88%	0.877	79%	0.786	S	S	*	*			trans	-93	147.9	172.1	-70.5	-64.4	0	0	0	112.9
120	S	25.8	Very low	29	Very low	112 Å²	112	137 Å²	137	78%	0.783	78%	0.783	S	S	*	*			trans	-166.8	109.3	148.6	12.8	0	0	0	0	114.4
121	I	29.4	Very low	29.6	Very low	170 Å²	170	139.4 Å²	139.4	87%	0.872	79%	0.786	S	S	*	*			trans	36.2	126.6	135.9	-58.3	168.6	0	0	0	119.3
122	S	27.7	Very low	29.8	Very low	105 Å²	105	141.7 Å²	141.7	73%	0.734	79%	0.794	S	S	*	*			trans	-76	167.1	177	60.6	0	0	0	0	114.7
123	P	30.1	Very low	30.1	Very low	126 Å²	126	145 Å²	145	82%	0.818	80%	0.798	S	S	*	*				-141.5	160.9	89.3	39.5	-25.8	0	0	0	116
124	S	27.3	Very low	30.1	Very low	108 Å²	108	145.7 Å²	145.7	76%	0.755	80%	0.802	S	S	*	*			trans	-85.9	177.1	162.4	50.8	0	0	0	0	110.6
125	P	44.8	Very low	30.8	Very low	112 Å²	112	144.9 Å²	144.9	73%	0.727	81%	0.808	S	S	*	*			cis	-121	-178.7	9.8	44.8	-29.2	0	0	0	113.1
126	D	28.1	Very low	31.6	Very low	145 Å²	145	143.1 Å²	143.1	78%	0.775	80%	0.801	S	S	*	*				-171.3	-177.9	58.2	-149	-17	0	0	0	113
127	E	31.9	Very low	32.4	Very low	174 Å²	174	143.4 Å²	143.4	81%	0.813	81%	0.808	S	S	*	*			trans	55.7	82.8	168.2	-60.8	-163.9	162.9	0	0	117.1	I129	E127-I129 PolarHBondContact O-N 3.24Å
128	G	29	Very low	34.3	Very low	79 Å²	79	142.3 Å²	142.3	81%	0.814	80%	0.803	S	S	*	*			trans	-74.6	117.6	163.5	0	0	0	0	0	111.8	E130	G128-E130 PolarHBondContact O-N 2.98Å
129	I	33.4	Very low	37	Very low	158 Å²	158	147.6 Å²	147.6	81%	0.81	81%	0.805	S	S	*	*			trans	-73.5	116.5	162.7	-61.6	173.5	0	0	0	107.1	E127 E131	E127-I129 PolarHBondContact O-N 3.24Å; I129-E131 PolarHBondContact O-N 3.08Å; I129-E131 VanDerWaalsContact O-N 3.11Å
130	E	31.9	Very low	40.2	Very low	184 Å²	184	142.7 Å²	142.7	86%	0.86	78%	0.782	S	S	*	*			trans	-69.3	105.1	167.8	-68	-168.8	141	0	0	108.6	G128 E132	G128-E130 PolarHBondContact O-N 2.98Å; E130-E132 PolarHBondContact O-N 3.21Å
131	E	35.8	Very low	43.4	Very low	177 Å²	177	138.2 Å²	138.2	83%	0.827	75%	0.753	S	S	*	*			trans	-62.8	108.2	165.9	-70.3	-171	149.6	0	0	108.4	I129 K133	I129-E131 PolarHBondContact O-N 3.08Å; I129-E131 VanDerWaalsContact O-N 3.11Å; E131-K133 PolarHBondContact O-N 3.07Å
132	E	33.4	Very low	46.5	Very low	191 Å²	191	132.1 Å²	132.1	89%	0.893	73%	0.725	S	S	*	*			trans	-56	102.7	167.5	-73.9	-169.3	140.4	0	0	108.4	E130	E130-E132 PolarHBondContact O-N 3.21Å
133	K	32.7	Very low	49.6	Very low	188 Å²	188	129 Å²	129	82%	0.817	70%	0.702	S	S	*	*			trans	-56.3	126.1	172.7	-70	-179.6	-179	174.8	0	107.3	E131 V135	E131-K133 PolarHBondContact O-N 3.07Å; K133-V135 PolarHBondContact O-N 3Å
134	P	35.9	Very low	52.6	Low	119 Å²	119	124.6 Å²	124.6	77%	0.773	67%	0.67	S	S	*	*			trans	-56.4	130.8	177.7	24	-33.3	0	0	0	108.2	A136	P134-A136 VanDerWaalsContact C-N 3.32Å; P134-A136 PolarHBondContact O-N 3.03Å
135	V	39.6	Very low	55.7	Low	142 Å²	142	119.5 Å²	119.5	86%	0.861	63%	0.634	S	S	*	*			trans	-62.1	99.5	176.1	179.2	0	0	0	0	107.1	K133 E137	K133-V135 PolarHBondContact O-N 3Å; V135-E137 PolarHBondContact O-N 3.39Å
136	A	41.8	Very low	57.9	Low	80 Å²	80	114.1 Å²	114.1	66%	0.661	60%	0.6	S	S	*	*			trans	-62.2	123.9	173.3	0	0	0	0	0	107.4	P134 E138	P134-A136 VanDerWaalsContact C-N 3.32Å; P134-A136 PolarHBondContact O-N 3.03Å; A136-E138 PolarHBondContact O-N 2.97Å
137	E	43.7	Very low	60.7	Low	184 Å²	184	113.2 Å²	113.2	86%	0.86	59%	0.585	S	S	*	*			trans	-57.1	107.8	175.7	-64.6	177.9	149.3	0	0	108.5	V135 R139	V135-E137 PolarHBondContact O-N 3.39Å; E137-R139 PolarHBondContact O-N 3.2Å
138	E	68.4	Low	62.8	Low	153 Å²	153	106 Å²	106	72%	0.715	56%	0.555	S	S	*	*			trans	-64	99.4	178	-73.9	-174.6	130.7	0	0	108.1	A136 K164	A136-E138 PolarHBondContact O-N 2.97Å; E138-K164 IonicContact OE1-NZ 3.39Å; E138-K164 IonicContact OE2-NZ 2.66Å; E138-K164 PolarHBondContact OE2-NZ 3.2Å
139	R	81.5	Confident	64.9	Low	229 Å²	229	105 Å²	105	86%	0.864	53%	0.531	S	S	*	.			trans	-55.1	139.2	178.7	-67.2	-176.4	178.5	-177	-1.2	109.9	E137 G141	E137-R139 PolarHBondContact O-N 3.2Å; R139-G141 PolarHBondContact O-N 3.3Å
140	P	91.4	Very high	66.4	Low	61 Å²	61	104.1 Å²	104.1	40%	0.396	52%	0.524	S	S	.	.			trans	-48.9	135.3	176.1	-31.1	36.8	0	0	0	112.9	Y201 W235 S236 D237	P140-Y201 WeakPolarHBondContact CB-OH 3.48Å; P140-W235 VanDerWaalsContact C-CZ2 3.45Å; P140-W235 HydrophobicContact CB-CZ2 3.68Å; P140-W235 WeakPolarHBondContact O-CH2 3.48Å; P140-W235 WeakPolarHBondContact O-CZ2 3.41Å; P140-S236 WeakPolarHBondContact CA-OG 3.5Å; P140-D237 HydrophobicContact CB-CB 3.91Å; P140-D237 HydrophobicContact CG-CB 4.03Å
141	G	93.5	Very high	67.7	Low	17 Å²	17	99.8 Å²	99.8	18%	0.175	51%	0.514	C	S	.	.			trans	-160.9	171	-172.3	0	0	0	0	0	113.2	R139 W235 S236	R139-G141 PolarHBondContact O-N 3.3Å; G141-W235 VanDerWaalsContact C-CE3 3.48Å; G141-W235 VanDerWaalsContact C-CZ3 3.42Å; G141-W235 VanDerWaalsContact CA-CH2 3.48Å; G141-W235 VanDerWaalsContact CA-CZ3 3.5Å; G141-S236 PolarHBondContact N-OG 2.99Å; G141-S236 WeakPolarHBondContact O-CB 3.47Å; G141-S236 PolarHBondContact O-N 2.85Å; G141-S236 PolarHBondContact O-OG 3.3Å
142	P	93.9	Very high	69.2	Low	42 Å²	42	95.7 Å²	95.7	27%	0.273	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	125.2	178.8	31.9	-32.7	0	0	0	110.8	F219 V234 W235	P142-F219 HydrophobicContact CB-CD1 3.69Å; P142-F219 HydrophobicContact CB-CE1 4.13Å; P142-F219 HydrophobicContact CB-CG 4.37Å; P142-V234 WeakPolarHBondContact CA-O 3.38Å; P142-W235 HydrophobicContact CB-CZ3 4.46Å
143	V	93.9	Very high	70.7	Confident	41 Å²	41	87.5 Å²	87.5	25%	0.248	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127	180	175.6	0	0	0	0	110.2	I145 A161 I165 Q233 V234	V143-I145 HydrophobicContact CG1-CG2 4.42Å; V143-I145 PolarHBondContact O-N 2.82Å; V143-A161 HydrophobicContact CG1-CB 3.87Å; V143-I165 HydrophobicContact CB-CD1 3.85Å; V143-I165 HydrophobicContact CG1-CD1 3.88Å; V143-I165 HydrophobicContact CG2-CD1 4.12Å; V143-Q233 CarbonylContact O-C 3.54Å; V143-Q233 VanDerWaalsContact O-CA 3.27Å; V143-Q233 WeakPolarHBondContact O-CA 3.43Å; V143-V234 PolarHBondContact N-O 3.24Å; V143-V234 PolarHBondContact O-N 3.26Å
144	Q	92.4	Very high	72.7	Confident	33 Å²	33	81.1 Å²	81.1	15%	0.154	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	101.8	-179.5	-168.7	74.7	52.6	0	0	110.7	V146 R147 T230 I232 Q233	Q144-V146 PolarHBondContact NE2-O 3.27Å; Q144-R147 HydrophobicContact CG-CG 3.78Å; Q144-T230 PolarHBondContact NE2-O 3.21Å; Q144-I232 PolarHBondContact NE2-O 2.96Å; Q144-Q233 VanDerWaalsContact OE1-CG 3.26Å
145	I	93.5	Very high	74.9	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-30.7	-178.7	57.7	157.1	0	0	0	113.3	V143 L157 D158 L162 I232 V234 F438	V143-I145 HydrophobicContact CG1-CG2 4.42Å; V143-I145 PolarHBondContact O-N 2.82Å; I145-L157 CarbonylContact O-C 3.55Å; I145-L157 WeakPolarHBondContact O-CA 3.37Å; I145-D158 PolarHBondContact O-N 3.43Å; I145-L162 HydrophobicContact CB-CD1 4.5Å; I145-L162 HydrophobicContact CD1-CD1 4.1Å; I145-L162 HydrophobicContact CG2-CB 4.16Å; I145-L162 HydrophobicContact CG2-CD1 4Å; I145-I232 HydrophobicContact CD1-CG2 4.08Å; I145-I232 HydrophobicContact CG1-CB 4.32Å; I145-I232 HydrophobicContact CG1-CG2 4.1Å; I145-I232 WeakPolarHBondContact CG1-O 3.31Å; I145-I232 PolarHBondContact N-O 2.69Å; I145-V234 HydrophobicContact CD1-CG1 3.54Å; I145-V234 HydrophobicContact CG1-CG1 3.98Å; I145-V234 HydrophobicContact CG2-CG2 3.67Å; I145-F438 HydrophobicContact CD1-CE1 3.95Å; I145-F438 HydrophobicContact CD1-CE2 4.24Å; I145-F438 HydrophobicContact CD1-CZ 3.72Å
146	V	90.1	Very high	77.1	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.2	173.6	-178.7	0	0	0	0	108.5	Q144 F155 Q156 L157 G231 I232 F438 I442	Q144-V146 PolarHBondContact NE2-O 3.27Å; V146-F155 HydrophobicContact CG1-CB 4.14Å; V146-F155 HydrophobicContact CG1-CD1 3.88Å; V146-Q156 WeakPolarHBondContact CA-O 3.47Å; V146-L157 HydrophobicContact CG2-CD1 4Å; V146-G231 WeakPolarHBondContact O-CA 3.34Å; V146-I232 HydrophobicContact CB-CB 3.98Å; V146-I232 HydrophobicContact CB-CD1 4.48Å; V146-I232 HydrophobicContact CB-CG1 4.23Å; V146-I232 HydrophobicContact CG2-CB 4.22Å; V146-I232 HydrophobicContact CG2-CD1 4.27Å; V146-I232 HydrophobicContact CG2-CG1 4.48Å; V146-I232 PolarHBondContact N-O 2.94Å; V146-I232 VanDerWaalsContact N-O 3.14Å; V146-I232 PolarHBondContact O-N 3.31Å; V146-F438 HydrophobicContact CG2-CD1 4.47Å; V146-F438 HydrophobicContact CG2-CE1 4.29Å; V146-I442 HydrophobicContact CG1-CD1 3.82Å; V146-I442 HydrophobicContact CG2-CD1 4.43Å
147	R	87.3	Confident	79.5	Confident	125 Å²	125	71.5 Å²	71.5	47%	0.472	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.2	179.4	-59.5	173	-169.8	-105.6	4.5	108.5	Q144 F155 Q156 D158	Q144-R147 HydrophobicContact CG-CG 3.78Å; R147-F155 WeakPolarHBondContact O-CA 3.33Å; R147-Q156 PolarHBondContact N-O 2.88Å; R147-Q156 PolarHBondContact O-N 2.89Å; R147-D158 IonicContact CZ-OD2 2.69Å; R147-D158 IonicContact NE-OD2 3.66Å; R147-D158 PolarHBondContact NE-OD2 3.48Å; R147-D158 IonicContact NH2-OD2 3.93Å; R147-D158 PolarHBondContact NH2-OD2 2.9Å
148	A	76.6	Confident	81.9	Confident	23 Å²	23	64.8 Å²	64.8	19%	0.19	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.7	168.6	0	0	0	0	0	108.5	E150 F155	A148-E150 PolarHBondContact O-N 2.97Å; A148-F155 HydrophobicContact CB-CD1 3.99Å; A148-F155 HydrophobicContact CB-CE1 3.65Å; A148-F155 HydrophobicContact CB-CZ 4.17Å
149	N	72.8	Confident	83	Confident	58 Å²	58	59 Å²	59	31%	0.31	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	114.7	173	-170.7	24.3	0	0	0	110.3	S151 D152 G153 I154	N149-S151 PolarHBondContact ND2-OG 3.32Å; N149-S151 PolarHBondContact O-N 3.39Å; N149-D152 VanDerWaalsContact ND2-CG 3.28Å; N149-D152 PolarHBondContact ND2-OD2 2.91Å; N149-D152 PolarHBondContact O-N 3.06Å; N149-G153 PolarHBondContact O-N 2.91Å; N149-I154 PolarHBondContact N-O 3.14Å
150	E	64	Low	83.6	Confident	140 Å²	140	51.4 Å²	51.4	65%	0.654	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.9	-171.5	-58.5	-170.6	142.4	0	0	114.1	A148 R227	A148-E150 PolarHBondContact O-N 2.97Å; E150-R227 IonicContact OE1-CZ 2.67Å; E150-R227 IonicContact OE1-NE 3.64Å; E150-R227 IonicContact OE1-NH2 3.83Å; E150-R227 PolarHBondContact OE1-NH2 3.44Å
151	S	60.6	Low	83.7	Confident	93 Å²	93	49.4 Å²	49.4	65%	0.65	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-29.1	177	61	0	0	0	0	114.2	N149	N149-S151 PolarHBondContact ND2-OG 3.32Å; N149-S151 PolarHBondContact O-N 3.39Å
152	D	65.4	Low	83.8	Confident	90 Å²	90	48.6 Å²	48.6	48%	0.481	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-16	-163.1	-48.5	-18.8	0	0	0	113.5	N149 I154	N149-D152 VanDerWaalsContact ND2-CG 3.28Å; N149-D152 PolarHBondContact ND2-OD2 2.91Å; N149-D152 PolarHBondContact O-N 3.06Å; D152-I154 HydrophobicContact CB-CB 4.3Å; D152-I154 HydrophobicContact CB-CD1 3.8Å; D152-I154 HydrophobicContact CB-CG1 3.82Å; D152-I154 PolarHBondContact O-N 2.96Å
153	G	64.8	Low	83.8	Confident	19 Å²	19	49.7 Å²	49.7	20%	0.196	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	18.5	-172.2	0	0	0	0	0	113.8	N149	N149-G153 PolarHBondContact O-N 2.91Å
154	I	75	Confident	83.9	Confident	54 Å²	54	53.8 Å²	53.8	28%	0.277	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.5	177.8	-61.5	172.3	0	0	0	109	N149 D152 Q156	N149-I154 PolarHBondContact N-O 3.14Å; D152-I154 HydrophobicContact CB-CB 4.3Å; D152-I154 HydrophobicContact CB-CD1 3.8Å; D152-I154 HydrophobicContact CB-CG1 3.82Å; D152-I154 PolarHBondContact O-N 2.96Å; I154-Q156 HydrophobicContact CG2-CG 4.4Å
155	F	82.4	Confident	84	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.7	174	-69.5	-94.6	0	0	0	110.7	V146 R147 A148 D268 T271 V272 I442	V146-F155 HydrophobicContact CG1-CB 4.14Å; V146-F155 HydrophobicContact CG1-CD1 3.88Å; R147-F155 WeakPolarHBondContact O-CA 3.33Å; A148-F155 HydrophobicContact CB-CD1 3.99Å; A148-F155 HydrophobicContact CB-CE1 3.65Å; A148-F155 HydrophobicContact CB-CZ 4.17Å; F155-D268 HydrophobicContact CE2-CB 4.1Å; F155-D268 WeakPolarHBondContact CE2-OD1 3.27Å; F155-D268 HydrophobicContact CZ-CB 3.73Å; F155-T271 HydrophobicContact CD1-CG2 4.36Å; F155-T271 HydrophobicContact CD2-CG2 3.6Å; F155-T271 HydrophobicContact CE1-CG2 4.43Å; F155-T271 HydrophobicContact CE2-CG2 3.7Å; F155-T271 HydrophobicContact CG-CG2 3.95Å; F155-T271 HydrophobicContact CZ-CG2 4.1Å; F155-V272 HydrophobicContact CD1-CG2 4.42Å; F155-V272 HydrophobicContact CE1-CG2 3.46Å; F155-V272 VanDerWaalsContact CE1-CG2 3.46Å; F155-V272 HydrophobicContact CZ-CG2 3.93Å; F155-I442 HydrophobicContact CB-CD1 3.7Å
156	Q	87.2	Confident	84.1	Confident	108 Å²	108	52.5 Å²	52.5	51%	0.505	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131	-179.9	-63.4	-179.3	3.5	0	0	110.3	V146 R147 I154	V146-Q156 WeakPolarHBondContact CA-O 3.47Å; R147-Q156 PolarHBondContact N-O 2.88Å; R147-Q156 PolarHBondContact O-N 2.89Å; I154-Q156 HydrophobicContact CG2-CG 4.4Å
157	L	90.7	Very high	84.3	Confident	32 Å²	32	55.7 Å²	55.7	17%	0.168	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	121.3	175.4	179.7	72.3	0	0	0	110.2	I145 V146 A159 L162 F438 K439 I442	I145-L157 CarbonylContact O-C 3.55Å; I145-L157 WeakPolarHBondContact O-CA 3.37Å; V146-L157 HydrophobicContact CG2-CD1 4Å; L157-A159 HydrophobicContact CD2-CB 4.21Å; L157-A159 HydrophobicContact CG-CB 4.29Å; L157-A159 PolarHBondContact O-N 2.86Å; L157-L162 HydrophobicContact CD1-CD2 4.16Å; L157-F438 HydrophobicContact CD1-CB 4.13Å; L157-F438 HydrophobicContact CD1-CD1 4.06Å; L157-F438 HydrophobicContact CD1-CG 4.36Å; L157-F438 HydrophobicContact CD2-CB 4.12Å; L157-K439 HydrophobicContact CD2-CB 4.37Å; L157-K439 HydrophobicContact CD2-CG 3.78Å; L157-I442 HydrophobicContact CB-CB 4.2Å; L157-I442 HydrophobicContact CB-CG1 4.02Å; L157-I442 HydrophobicContact CB-CG2 3.87Å; L157-I442 HydrophobicContact CD2-CG2 4.15Å
158	D	93.8	Very high	84.6	Confident	43 Å²	43	53.1 Å²	53.1	23%	0.23	30%	0.296	C	S	.	.			trans	-77.4	71.9	168	-158.5	-36.6	0	0	0	109.2	I145 R147 A160 A161 L162	I145-D158 PolarHBondContact O-N 3.43Å; R147-D158 IonicContact CZ-OD2 2.69Å; R147-D158 IonicContact NE-OD2 3.66Å; R147-D158 PolarHBondContact NE-OD2 3.48Å; R147-D158 IonicContact NH2-OD2 3.93Å; R147-D158 PolarHBondContact NH2-OD2 2.9Å; D158-A160 PolarHBondContact O-N 2.79Å; D158-A161 HydrophobicContact CB-CB 4.07Å; D158-A161 PolarHBondContact O-N 2.95Å; D158-A161 VanDerWaalsContact O-N 3.14Å; D158-A161 VanDerWaalsContact OD1-CB 3.3Å; D158-A161 WeakPolarHBondContact OD1-CB 3.39Å; D158-A161 PolarHBondContact OD1-N 3.1Å; D158-L162 PolarHBondContact O-N 3.07Å
159	A	92.1	Very high	85.2	Confident	30 Å²	30	58.3 Å²	58.3	25%	0.248	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-35.5	-172.1	0	0	0	0	0	112.1	L157 L162 E163	L157-A159 HydrophobicContact CD2-CB 4.21Å; L157-A159 HydrophobicContact CG-CB 4.29Å; L157-A159 PolarHBondContact O-N 2.86Å; A159-L162 PolarHBondContact O-N 2.94Å; A159-E163 VanDerWaalsContact O-CB 3.31Å; A159-E163 WeakPolarHBondContact O-CB 3.48Å; A159-E163 VanDerWaalsContact O-CG 3.23Å; A159-E163 WeakPolarHBondContact O-CG 3.24Å; A159-E163 PolarHBondContact O-N 2.73Å
160	A	94.2	Very high	86.2	Confident	70 Å²	70	61 Å²	61	58%	0.579	33%	0.331	S	S	*	.	H	α-helix	trans	-66.4	-39.4	176.9	0	0	0	0	0	112.3	D158 K164	D158-A160 PolarHBondContact O-N 2.79Å; A160-K164 WeakPolarHBondContact O-CB 3.42Å; A160-K164 PolarHBondContact O-N 3.47Å
161	A	94.4	Very high	87.6	Confident	20 Å²	20	54.3 Å²	54.3	17%	0.165	30%	0.3	C	S	.	.	H	α-helix	trans	-66.5	-41.2	173.7	0	0	0	0	0	112.1	V143 D158 K164 I165	V143-A161 HydrophobicContact CG1-CB 3.87Å; D158-A161 HydrophobicContact CB-CB 4.07Å; D158-A161 PolarHBondContact O-N 2.95Å; D158-A161 VanDerWaalsContact O-N 3.14Å; D158-A161 VanDerWaalsContact OD1-CB 3.3Å; D158-A161 WeakPolarHBondContact OD1-CB 3.39Å; D158-A161 PolarHBondContact OD1-N 3.1Å; A161-K164 PolarHBondContact O-N 2.93Å; A161-I165 WeakPolarHBondContact O-CG1 3.42Å; A161-I165 PolarHBondContact O-N 2.9Å
162	L	94.3	Very high	89.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-40.6	176.3	-174.3	65	0	0	0	112	I145 L157 D158 A159 I165 L166 V435 F438	I145-L162 HydrophobicContact CB-CD1 4.5Å; I145-L162 HydrophobicContact CD1-CD1 4.1Å; I145-L162 HydrophobicContact CG2-CB 4.16Å; I145-L162 HydrophobicContact CG2-CD1 4Å; L157-L162 HydrophobicContact CD1-CD2 4.16Å; D158-L162 PolarHBondContact O-N 3.07Å; A159-L162 PolarHBondContact O-N 2.94Å; L162-I165 PolarHBondContact O-N 2.86Å; L162-L166 HydrophobicContact CD1-CD1 3.59Å; L162-L166 HydrophobicContact CD1-CG 4.13Å; L162-L166 HydrophobicContact CG-CD1 4.05Å; L162-L166 PolarHBondContact O-N 3.01Å; L162-V435 HydrophobicContact CG-CG2 4.38Å; L162-F438 HydrophobicContact CD2-CB 3.71Å; L162-F438 HydrophobicContact CD2-CD2 3.79Å; L162-F438 HydrophobicContact CD2-CG 3.84Å
163	E	94.8	Very high	90.5	Very high	65 Å²	65	52.3 Å²	52.3	30%	0.304	28%	0.279	S	S	.	.	H	α-helix	trans	-65.8	-41.4	176.2	-76.7	175.2	-177	0	0	112.3	A159 I165 L166 L167 V435 K439	A159-E163 VanDerWaalsContact O-CB 3.31Å; A159-E163 WeakPolarHBondContact O-CB 3.48Å; A159-E163 VanDerWaalsContact O-CG 3.23Å; A159-E163 WeakPolarHBondContact O-CG 3.24Å; A159-E163 PolarHBondContact O-N 2.73Å; E163-I165 PolarHBondContact O-N 2.95Å; E163-I165 VanDerWaalsContact O-N 3.15Å; E163-L166 PolarHBondContact O-N 3.47Å; E163-L167 HydrophobicContact CB-CD1 3.93Å; E163-L167 HydrophobicContact CB-CG 4.26Å; E163-L167 HydrophobicContact CG-CD1 3.75Å; E163-L167 HydrophobicContact CG-CG 4.3Å; E163-L167 VanDerWaalsContact O-CB 3.3Å; E163-L167 WeakPolarHBondContact O-CB 3.45Å; E163-L167 PolarHBondContact O-N 2.91Å; E163-V435 HydrophobicContact CG-CG1 3.74Å; E163-K439 WeakPolarHBondContact OE1-CE 3.44Å; E163-K439 IonicContact OE1-NZ 3.24Å; E163-K439 PolarHBondContact OE1-NZ 3.04Å
164	K	95.3	Very high	91.9	Very high	127 Å²	127	53.4 Å²	53.4	55%	0.552	28%	0.28	S	S	*	.	H	α-helix	trans	-56.7	-28	173.6	-177.4	-177.5	173.2	-171.9	0	112.5	E138 A160 A161 Q168	E138-K164 IonicContact OE1-NZ 3.39Å; E138-K164 IonicContact OE2-NZ 2.66Å; E138-K164 PolarHBondContact OE2-NZ 3.2Å; A160-K164 WeakPolarHBondContact O-CB 3.42Å; A160-K164 PolarHBondContact O-N 3.47Å; A161-K164 PolarHBondContact O-N 2.93Å; K164-Q168 VanDerWaalsContact O-CG 3.23Å; K164-Q168 WeakPolarHBondContact O-CG 3.36Å; K164-Q168 PolarHBondContact O-NE2 2.94Å
165	I	94.9	Very high	92.9	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-88.9	-54.4	179.3	-64.5	169.5	0	0	0	110.7	V143 A161 L162 E163 Q168 V234 V238 L252	V143-I165 HydrophobicContact CB-CD1 3.85Å; V143-I165 HydrophobicContact CG1-CD1 3.88Å; V143-I165 HydrophobicContact CG2-CD1 4.12Å; A161-I165 WeakPolarHBondContact O-CG1 3.42Å; A161-I165 PolarHBondContact O-N 2.9Å; L162-I165 PolarHBondContact O-N 2.86Å; E163-I165 PolarHBondContact O-N 2.95Å; E163-I165 VanDerWaalsContact O-N 3.15Å; I165-Q168 WeakPolarHBondContact O-CG 3.49Å; I165-V234 HydrophobicContact CD1-CG2 3.66Å; I165-V238 HydrophobicContact CG2-CG2 3.42Å; I165-V238 VanDerWaalsContact CG2-CG2 3.42Å; I165-L252 HydrophobicContact CG2-CD1 4.44Å
166	L	95.5	Very high	93.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-89.1	-13.9	-168	-65.1	-178.2	0	0	0	115.4	L162 E163 K172 L176 V238 L252 C431 L434 V435	L162-L166 HydrophobicContact CD1-CD1 3.59Å; L162-L166 HydrophobicContact CD1-CG 4.13Å; L162-L166 HydrophobicContact CG-CD1 4.05Å; L162-L166 PolarHBondContact O-N 3.01Å; E163-L166 PolarHBondContact O-N 3.47Å; L166-K172 WeakPolarHBondContact O-CA 3.24Å; L166-L176 HydrophobicContact CD2-CD2 4.28Å; L166-V238 HydrophobicContact CD2-CG2 4.48Å; L166-L252 HydrophobicContact CD2-CD1 4.42Å; L166-L252 HydrophobicContact CD2-CD2 4.34Å; L166-C431 HydrophobicContact CB-CB 4.18Å; L166-C431 HydrophobicContact CD2-CB 4.13Å; L166-C431 WeakPolarHBondContact O-CB 3.15Å; L166-L434 HydrophobicContact CD1-CB 4.35Å; L166-L434 HydrophobicContact CD1-CD2 4.17Å; L166-V435 HydrophobicContact CB-CG2 3.8Å; L166-V435 HydrophobicContact CD1-CG2 3.99Å
167	L	94.1	Very high	94.1	Very high	67 Å²	67	47.8 Å²	47.8	35%	0.351	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	8.8	178.7	-57.4	-172.8	0	0	0	114.2	E163 K432 V435	E163-L167 HydrophobicContact CB-CD1 3.93Å; E163-L167 HydrophobicContact CB-CG 4.26Å; E163-L167 HydrophobicContact CG-CD1 3.75Å; E163-L167 HydrophobicContact CG-CG 4.3Å; E163-L167 VanDerWaalsContact O-CB 3.3Å; E163-L167 WeakPolarHBondContact O-CB 3.45Å; E163-L167 PolarHBondContact O-N 2.91Å; L167-K432 HydrophobicContact CD2-CB 3.88Å; L167-K432 HydrophobicContact CD2-CG 3.89Å; L167-V435 HydrophobicContact CD2-CG2 4.26Å
168	Q	93.1	Very high	94.4	Very high	70 Å²	70	46.3 Å²	46.3	33%	0.327	25%	0.247	S	C	.	.			trans	-63.2	137.7	176	-59.1	178.8	21.5	0	0	111.2	K164 I165 H170 V171 K172	K164-Q168 VanDerWaalsContact O-CG 3.23Å; K164-Q168 WeakPolarHBondContact O-CG 3.36Å; K164-Q168 PolarHBondContact O-NE2 2.94Å; I165-Q168 WeakPolarHBondContact O-CG 3.49Å; Q168-H170 PolarHBondContact O-N 3.16Å; Q168-H170 PolarHBondContact OE1-CE1 3.13Å; Q168-H170 VanDerWaalsContact OE1-CE1 3.26Å; Q168-V171 HydrophobicContact CB-CG2 3.92Å; Q168-V171 PolarHBondContact O-N 2.96Å; Q168-K172 WeakPolarHBondContact O-CB 3.1Å; Q168-K172 PolarHBondContact O-N 3.27Å
169	D	90.8	Very high	94.6	Very high	133 Å²	133	44.3 Å²	44.3	71%	0.711	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.6	-167.5	-75.4	-47.4	0	0	0	115.5	K172	D169-K172 WeakPolarHBondContact OD1-CE 3.32Å; D169-K172 IonicContact OD1-NZ 3.16Å; D169-K172 PolarHBondContact OD1-NZ 3.43Å
170	H	92	Very high	94.8	Very high	114 Å²	114	42.9 Å²	42.9	53%	0.528	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-10	-177.5	72.5	-84.8	0	0	0	114.6	Q168	Q168-H170 PolarHBondContact O-N 3.16Å; Q168-H170 PolarHBondContact OE1-CE1 3.13Å; Q168-H170 VanDerWaalsContact OE1-CE1 3.26Å
171	V	94.6	Very high	94.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-25.5	177.8	-73.5	0	0	0	0	114.6	Q168 D173 L174 V238 V240 A250 C431	Q168-V171 HydrophobicContact CB-CG2 3.92Å; Q168-V171 PolarHBondContact O-N 2.96Å; V171-D173 VanDerWaalsContact C-N 3.26Å; V171-D173 PolarHBondContact O-N 2.8Å; V171-D173 VanDerWaalsContact O-N 3.08Å; V171-L174 HydrophobicContact CG1-CD1 4.37Å; V171-L174 WeakPolarHBondContact O-CB 3.38Å; V171-L174 PolarHBondContact O-N 3.13Å; V171-V238 HydrophobicContact CB-CG1 4.37Å; V171-V238 HydrophobicContact CG1-CB 4.18Å; V171-V238 HydrophobicContact CG1-CG1 3.96Å; V171-V240 HydrophobicContact CG1-CG2 3.62Å; V171-A250 HydrophobicContact CB-CB 4.48Å; V171-A250 HydrophobicContact CG1-CB 4.34Å; V171-C431 WeakPolarHBondContact O-CB 3.48Å; V171-C431 PolarHBondContact O-SG 3.22Å
172	K	93.3	Very high	94.7	Very high	56 Å²	56	38.6 Å²	38.6	24%	0.243	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-39.3	-169.2	68.6	-174.6	-178.6	-173.7	0	115.1	L166 Q168 D169 K432	L166-K172 WeakPolarHBondContact O-CA 3.24Å; Q168-K172 WeakPolarHBondContact O-CB 3.1Å; Q168-K172 PolarHBondContact O-N 3.27Å; D169-K172 WeakPolarHBondContact OD1-CE 3.32Å; D169-K172 IonicContact OD1-NZ 3.16Å; D169-K172 PolarHBondContact OD1-NZ 3.43Å; K172-K432 VanDerWaalsContact O-CB 3.32Å; K172-K432 WeakPolarHBondContact O-CB 3.13Å; K172-K432 PolarHBondContact O-N 3.25Å
173	D	92.4	Very high	94.4	Very high	85 Å²	85	38.7 Å²	38.7	46%	0.455	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	3.6	-176	-62.1	-44.4	0	0	0	112.5	V171	V171-D173 VanDerWaalsContact C-N 3.26Å; V171-D173 PolarHBondContact O-N 2.8Å; V171-D173 VanDerWaalsContact O-N 3.08Å
174	L	95.7	Very high	93.9	Very high	41 Å²	41	37.1 Å²	37.1	22%	0.215	19%	0.188	C	C	.	.	S	Bend	trans	-83.6	146.9	175.5	-61.3	-176.7	0	0	0	111.6	V171 L176 V240 K248 A250 T430 C431	V171-L174 HydrophobicContact CG1-CD1 4.37Å; V171-L174 WeakPolarHBondContact O-CB 3.38Å; V171-L174 PolarHBondContact O-N 3.13Å; L174-L176 PolarHBondContact O-N 3.11Å; L174-V240 HydrophobicContact CD1-CG1 3.93Å; L174-V240 HydrophobicContact CD1-CG2 3.88Å; L174-K248 HydrophobicContact CD2-CB 4.29Å; L174-A250 HydrophobicContact CB-CB 4.29Å; L174-T430 WeakPolarHBondContact O-CA 3.43Å; L174-T430 VanDerWaalsContact O-CB 3.3Å; L174-T430 WeakPolarHBondContact O-CB 3.28Å; L174-C431 PolarHBondContact O-N 3.16Å
175	N	96.2	Very high	93.3	Very high	43 Å²	43	34.1 Å²	34.1	23%	0.23	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	134.6	167.4	-62.9	-26.6	0	0	0	109.5	V249 A250 E421 K428	N175-V249 HydrophobicContact CB-CG1 4.48Å; N175-V249 WeakPolarHBondContact O-CA 3.07Å; N175-A250 PolarHBondContact O-N 3.43Å; N175-E421 HydrophobicContact CB-CG 4.16Å; N175-E421 WeakPolarHBondContact CB-OE1 3.13Å; N175-E421 PolarHBondContact ND2-OE1 3.45Å; N175-K428 WeakPolarHBondContact ND2-CD 3.25Å
176	L	96.3	Very high	92.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.8	-171.6	179.9	59.1	0	0	0	112.2	L166 L174 V178 A250 L252 K422 I429 L434	L166-L176 HydrophobicContact CD2-CD2 4.28Å; L174-L176 PolarHBondContact O-N 3.11Å; L176-V178 HydrophobicContact CD1-CG2 4.39Å; L176-V178 HydrophobicContact CD2-CG2 3.77Å; L176-V178 HydrophobicContact CG-CG2 3.67Å; L176-A250 HydrophobicContact CD1-CB 3.68Å; L176-L252 HydrophobicContact CD1-CB 3.93Å; L176-K422 VanDerWaalsContact O-CB 3.27Å; L176-K422 WeakPolarHBondContact O-CB 3.46Å; L176-K422 PolarHBondContact O-N 3.48Å; L176-I429 PolarHBondContact N-O 3.38Å; L176-L434 HydrophobicContact CD2-CB 4.03Å; L176-L434 HydrophobicContact CD2-CD2 3.36Å; L176-L434 HydrophobicContact CD2-CG 4.29Å
177	V	97.7	Very high	92.3	Very high	1 Å²	1	41 Å²	41	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.5	168.1	179.9	0	0	0	0	107.4	V179 V249 A250 V251 L252 L419 V420 E421	V177-V179 HydrophobicContact CG1-CG2 4.36Å; V177-V249 HydrophobicContact CG2-CB 4.1Å; V177-V249 HydrophobicContact CG2-CG2 3.93Å; V177-A250 WeakPolarHBondContact CB-O 3.35Å; V177-A250 PolarHBondContact N-O 2.92Å; V177-V251 HydrophobicContact CB-CG1 4.44Å; V177-V251 HydrophobicContact CB-CG2 4.21Å; V177-V251 HydrophobicContact CG1-CG1 4.4Å; V177-V251 WeakPolarHBondContact O-CA 3.2Å; V177-L252 PolarHBondContact O-N 3.04Å; V177-L419 HydrophobicContact CG1-CB 4.5Å; V177-L419 HydrophobicContact CG1-CD2 4.09Å; V177-L419 HydrophobicContact CG2-CB 4.12Å; V177-V420 WeakPolarHBondContact CG1-O 3.49Å; V177-E421 HydrophobicContact CG2-CG 4.5Å
178	V	97.8	Very high	92	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	111.3	-176.4	-177.1	0	0	0	0	109.2	L176 V254 S280 S281 V282 L434	L176-V178 HydrophobicContact CD1-CG2 4.39Å; L176-V178 HydrophobicContact CD2-CG2 3.77Å; L176-V178 HydrophobicContact CG-CG2 3.67Å; V178-V254 HydrophobicContact CG1-CG2 3.66Å; V178-S280 WeakPolarHBondContact O-CB 3.5Å; V178-S281 PolarHBondContact N-OG 3.24Å; V178-S281 VanDerWaalsContact N-OG 3.09Å; V178-S281 PolarHBondContact O-N 3.04Å; V178-S281 PolarHBondContact O-OG 2.95Å; V178-V282 PolarHBondContact O-N 3.32Å; V178-L434 HydrophobicContact CG2-CD2 3.86Å
179	V	97.8	Very high	91.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.1	178.3	-174.2	0	0	0	0	108.7	V177 M196 L252 L253 V254 V282 L414	V177-V179 HydrophobicContact CG1-CG2 4.36Å; V179-M196 HydrophobicContact CG1-SD 3.98Å; V179-L252 PolarHBondContact N-O 3.41Å; V179-L253 HydrophobicContact CB-CD2 3.94Å; V179-L253 HydrophobicContact CG2-CD2 4.44Å; V179-V254 PolarHBondContact O-N 3.09Å; V179-V282 WeakPolarHBondContact CA-O 3.44Å; V179-V282 HydrophobicContact CG2-CB 4.34Å; V179-L414 HydrophobicContact CG2-CD2 3.94Å
180	S	96.4	Very high	91.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139.1	-179.6	167.5	0	0	0	0	110.5	S276 V282 Q283 V284	S180-S276 WeakPolarHBondContact OG-CB 3.5Å; S180-V282 PolarHBondContact N-O 2.66Å; S180-Q283 PolarHBondContact O-NE2 3.03Å; S180-Q283 VanDerWaalsContact O-NE2 3.1Å; S180-Q283 PolarHBondContact OG-NE2 3.18Å; S180-Q283 PolarHBondContact OG-OE1 2.74Å; S180-V284 WeakPolarHBondContact O-CB 3.17Å; S180-V284 PolarHBondContact O-N 2.77Å
181	V	95.4	Very high	92	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	103.3	171.7	-171.9	0	0	0	0	109.3	K189 L192 L193 M196 V254 V284 N286	V181-K189 HydrophobicContact CG1-CB 3.85Å; V181-K189 HydrophobicContact CG1-CD 4.19Å; V181-K189 HydrophobicContact CG1-CG 4.18Å; V181-K189 WeakPolarHBondContact O-CD 3.23Å; V181-K189 WeakPolarHBondContact O-CE 3.46Å; V181-L192 HydrophobicContact CG1-CD2 4.25Å; V181-L192 HydrophobicContact CG2-CD2 4.4Å; V181-L193 HydrophobicContact CB-CD1 4.11Å; V181-L193 HydrophobicContact CB-CG 4.21Å; V181-L193 HydrophobicContact CG2-CD1 4.19Å; V181-L193 HydrophobicContact CG2-CD2 3.78Å; V181-L193 HydrophobicContact CG2-CG 3.77Å; V181-M196 HydrophobicContact CG2-CE 3.65Å; V181-M196 HydrophobicContact CG2-SD 4.33Å; V181-V254 PolarHBondContact N-O 3.06Å; V181-V254 VanDerWaalsContact N-O 3.16Å; V181-V284 HydrophobicContact CG1-CB 4.44Å; V181-V284 HydrophobicContact CG1-CG1 4.36Å; V181-V284 HydrophobicContact CG2-CB 4.15Å; V181-V284 HydrophobicContact CG2-CG2 4.45Å; V181-N286 HydrophobicContact CG1-CB 4.04Å
182	A	91.3	Very high	92	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	160.7	-179.5	0	0	0	0	0	111.6	T256 F273 Q283 V284 Y285 N286	A182-T256 WeakPolarHBondContact CA-OG1 3.43Å; A182-T256 HydrophobicContact CB-CG2 4.03Å; A182-F273 HydrophobicContact CB-CD2 3.69Å; A182-F273 HydrophobicContact CB-CE2 3.75Å; A182-Q283 VanDerWaalsContact CB-NE2 3.31Å; A182-V284 PolarHBondContact N-O 2.97Å; A182-Y285 WeakPolarHBondContact O-CA 3.37Å; A182-N286 PolarHBondContact O-N 3.09Å
183	G	87.6	Confident	92.1	Very high	2 Å²	2	23 Å²	23	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.8	-175.3	-177.3	0	0	0	0	0	113.1	G258 A259	G183-G258 WeakPolarHBondContact O-CA 3.46Å; G183-A259 PolarHBondContact O-N 3.46Å
184	A	84.4	Confident	92.2	Very high	31 Å²	31	18.9 Å²	18.9	26%	0.256	10%	0.1	S	C	.	.	B	Isolated β-bridge	trans	-60.6	154	-174.1	0	0	0	0	0	114	K187 A259	A184-K187 HydrophobicContact CB-CG 4.03Å; A184-A259 WeakPolarHBondContact CA-O 3.5Å
185	F	81.8	Confident	92.2	Very high	65 Å²	65	17 Å²	17	29%	0.285	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	152.3	178.8	81.9	-74.5	0	0	0	113.5	K187 A259 F260 D261	F185-K187 PolarHBondContact O-N 2.87Å; F185-A259 PolarHBondContact N-O 2.84Å; F185-A259 VanDerWaalsContact N-O 3.11Å; F185-F260 WeakPolarHBondContact CD1-O 3.36Å; F185-F260 WeakPolarHBondContact CE1-O 3.4Å; F185-D261 HydrophobicContact CB-CB 4.13Å; F185-D261 HydrophobicContact CD1-CB 4.08Å; F185-D261 HydrophobicContact CD2-CB 4.19Å; F185-D261 HydrophobicContact CG-CB 3.88Å
186	R	81.9	Confident	92.2	Very high	72 Å²	72	14.9 Å²	14.9	27%	0.272	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	12.5	-176	-68.5	-70.2	178.5	-149.8	-12.4	117.1	G188 R222 G224 E226 R227 E228	R186-G188 PolarHBondContact O-N 2.86Å; R186-R222 PolarHBondContact NH1-O 2.67Å; R186-G224 WeakPolarHBondContact CD-O 3.35Å; R186-G224 WeakPolarHBondContact CG-O 3.27Å; R186-G224 PolarHBondContact NE-O 3.12Å; R186-E226 PolarHBondContact NE-O 3.5Å; R186-E226 PolarHBondContact NH2-O 3.09Å; R186-R227 PolarHBondContact NH2-O 2.88Å; R186-E228 IonicContact CZ-OE2 3.94Å; R186-E228 IonicContact NH1-OE2 2.96Å; R186-E228 IonicContact NH2-OE2 3.89Å; R186-E228 PolarHBondContact NH2-OE2 2.87Å
187	K	87.1	Confident	92.2	Very high	77 Å²	77	15 Å²	15	34%	0.335	8%	0.079	S	C	.	.	S	Bend	trans	-83.3	28.1	172.6	-58.3	-55.2	-174.6	167.7	0	115	A184 F185 K189 N286 S288 R326	A184-K187 HydrophobicContact CB-CG 4.03Å; F185-K187 PolarHBondContact O-N 2.87Å; K187-K189 PolarHBondContact O-N 3.17Å; K187-N286 WeakPolarHBondContact CB-ND2 3.47Å; K187-N286 PolarHBondContact O-ND2 2.94Å; K187-S288 WeakPolarHBondContact CE-OG 3.48Å; K187-S288 PolarHBondContact NZ-OG 3.16Å; K187-R326 PolarHBondContact O-NH1 2.97Å
188	G	88.3	Confident	92.1	Very high	26 Å²	26	15.7 Å²	15.7	27%	0.268	8%	0.082	S	C	.	.	S	Bend	trans	65	37.6	170.2	0	0	0	0	0	116.4	R186 L192 R326	R186-G188 PolarHBondContact O-N 2.86Å; G188-L192 PolarHBondContact O-N 3.1Å; G188-R326 PolarHBondContact O-NH1 2.9Å
189	K	91.8	Very high	92	Very high	12 Å²	12	16.5 Å²	16.5	5%	0.052	9%	0.085	C	C	.	.	H	α-helix	trans	-67.7	-56.6	179.2	-53	-157.4	-43.7	-77.6	0	112.5	V181 K187 F191 L192 L193 T256 Q257 N286	V181-K189 HydrophobicContact CG1-CB 3.85Å; V181-K189 HydrophobicContact CG1-CD 4.19Å; V181-K189 HydrophobicContact CG1-CG 4.18Å; V181-K189 WeakPolarHBondContact O-CD 3.23Å; V181-K189 WeakPolarHBondContact O-CE 3.46Å; K187-K189 PolarHBondContact O-N 3.17Å; K189-F191 VanDerWaalsContact C-N 3.29Å; K189-F191 PolarHBondContact O-N 3.14Å; K189-L192 WeakPolarHBondContact O-CA 3.36Å; K189-L192 VanDerWaalsContact O-CB 3.27Å; K189-L192 WeakPolarHBondContact O-CB 3.39Å; K189-L192 PolarHBondContact O-N 2.79Å; K189-L193 PolarHBondContact O-N 2.9Å; K189-T256 VanDerWaalsContact CE-O 3.3Å; K189-T256 WeakPolarHBondContact CE-O 3.34Å; K189-T256 WeakPolarHBondContact CE-OG1 3.34Å; K189-T256 PolarHBondContact NZ-O 3.34Å; K189-Q257 PolarHBondContact NZ-O 3.49Å; K189-N286 HydrophobicContact CD-CB 4.41Å; K189-N286 HydrophobicContact CG-CB 4.27Å
190	S	91.1	Very high	91.8	Very high	12 Å²	12	17.1 Å²	17.1	8%	0.084	9%	0.088	C	C	.	.	H	α-helix	trans	-61.2	-36.9	-179.6	-27.3	0	0	0	0	111.9	L192 L193 D194 T229 D255	S190-L192 VanDerWaalsContact C-N 3.27Å; S190-L192 PolarHBondContact O-N 3.27Å; S190-L193 WeakPolarHBondContact O-CB 3.37Å; S190-L193 PolarHBondContact O-N 3.43Å; S190-L193 VanDerWaalsContact O-N 3.09Å; S190-D194 PolarHBondContact O-N 2.88Å; S190-T229 PolarHBondContact OG-OG1 2.78Å; S190-D255 WeakPolarHBondContact CB-OD2 3.21Å; S190-D255 PolarHBondContact OG-OD2 2.76Å
191	F	92.8	Very high	91.7	Very high	11 Å²	11	21.9 Å²	21.9	5%	0.048	11%	0.106	C	C	.	.	H	α-helix	trans	-58.9	-32.7	170.6	174.9	-96.9	0	0	0	113.6	K189 F195 L216 W221 V385 F391 I398 F402	K189-F191 VanDerWaalsContact C-N 3.29Å; K189-F191 PolarHBondContact O-N 3.14Å; F191-F195 HydrophobicContact CD1-CE2 4.47Å; F191-F195 HydrophobicContact CE1-CD2 4.48Å; F191-F195 AromaticContact CE1-CE2 3.94Å; F191-F195 HydrophobicContact CE1-CE2 3.94Å; F191-F195 AromaticContact CE2-CE2 3.99Å; F191-F195 HydrophobicContact CE2-CE2 3.99Å; F191-F195 AromaticContact CZ-CE2 3.68Å; F191-F195 HydrophobicContact CZ-CE2 3.68Å; F191-F195 HydrophobicContact CZ-CZ 4.49Å; F191-F195 VanDerWaalsContact O-CD2 3.26Å; F191-F195 WeakPolarHBondContact O-CD2 3.43Å; F191-L216 HydrophobicContact CD2-CD2 3.52Å; F191-L216 HydrophobicContact CE2-CD2 3.67Å; F191-L216 HydrophobicContact CG-CD2 4.29Å; F191-W221 HydrophobicContact CB-CD2 4.48Å; F191-W221 HydrophobicContact CD2-CD2 4.25Å; F191-W221 HydrophobicContact CD2-CE3 4.25Å; F191-W221 HydrophobicContact CD2-CH2 4.2Å; F191-W221 HydrophobicContact CD2-CZ2 4.16Å; F191-W221 HydrophobicContact CD2-CZ3 4.22Å; F191-W221 HydrophobicContact CE2-CH2 4.43Å; F191-V385 HydrophobicContact CZ-CG1 4.21Å; F191-F391 HydrophobicContact CD2-CE1 4.46Å; F191-F391 AromaticContact CE2-CE1 3.66Å; F191-F391 HydrophobicContact CE2-CE1 3.66Å; F191-F391 AromaticContact CE2-CZ 3.97Å; F191-F391 HydrophobicContact CE2-CZ 3.97Å; F191-F391 HydrophobicContact CZ-CE1 4.28Å; F191-F391 HydrophobicContact CZ-CZ 4.32Å; F191-I398 HydrophobicContact CZ-CD1 4.09Å; F191-F402 HydrophobicContact CE1-CE1 4.23Å; F191-F402 HydrophobicContact CE1-CZ 4.16Å
192	L	94.6	Very high	91.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-75.2	-40.3	172.6	-175.4	77.1	0	0	0	111.2	V181 G188 K189 S190 D194 F195 M196 L324 L406 L409 M410	V181-L192 HydrophobicContact CG1-CD2 4.25Å; V181-L192 HydrophobicContact CG2-CD2 4.4Å; G188-L192 PolarHBondContact O-N 3.1Å; K189-L192 WeakPolarHBondContact O-CA 3.36Å; K189-L192 VanDerWaalsContact O-CB 3.27Å; K189-L192 WeakPolarHBondContact O-CB 3.39Å; K189-L192 PolarHBondContact O-N 2.79Å; S190-L192 VanDerWaalsContact C-N 3.27Å; S190-L192 PolarHBondContact O-N 3.27Å; L192-D194 VanDerWaalsContact C-N 3.29Å; L192-D194 PolarHBondContact O-N 3.42Å; L192-F195 PolarHBondContact O-N 2.89Å; L192-F195 VanDerWaalsContact O-N 3.11Å; L192-M196 HydrophobicContact CD2-CE 3.73Å; L192-M196 HydrophobicContact CG-CE 3.95Å; L192-M196 PolarHBondContact O-N 2.82Å; L192-L324 HydrophobicContact CD1-CD2 4.32Å; L192-L324 HydrophobicContact CD2-CD2 3.32Å; L192-L324 HydrophobicContact CG-CD2 4.45Å; L192-L406 HydrophobicContact CD1-CD1 3.91Å; L192-L409 HydrophobicContact CD1-CD2 4Å; L192-M410 HydrophobicContact CD1-CE 3.66Å; L192-M410 HydrophobicContact CG-CE 4.18Å
193	L	95.3	Very high	91.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.1	-32	177.5	-78.9	163	0	0	0	112.8	V181 K189 S190 F195 M196 L197 F219 L253 D255	V181-L193 HydrophobicContact CB-CD1 4.11Å; V181-L193 HydrophobicContact CB-CG 4.21Å; V181-L193 HydrophobicContact CG2-CD1 4.19Å; V181-L193 HydrophobicContact CG2-CD2 3.78Å; V181-L193 HydrophobicContact CG2-CG 3.77Å; K189-L193 PolarHBondContact O-N 2.9Å; S190-L193 WeakPolarHBondContact O-CB 3.37Å; S190-L193 PolarHBondContact O-N 3.43Å; S190-L193 VanDerWaalsContact O-N 3.09Å; L193-F195 VanDerWaalsContact C-N 3.29Å; L193-F195 PolarHBondContact O-N 2.81Å; L193-M196 HydrophobicContact CD2-SD 3.78Å; L193-M196 CarbonylContact O-C 3.6Å; L193-M196 WeakPolarHBondContact O-CA 3.47Å; L193-M196 VanDerWaalsContact O-CB 3.29Å; L193-M196 WeakPolarHBondContact O-CB 3.35Å; L193-M196 PolarHBondContact O-N 2.96Å; L193-M196 VanDerWaalsContact O-N 3.12Å; L193-L197 WeakPolarHBondContact O-CG 3.28Å; L193-L197 PolarHBondContact O-N 3.1Å; L193-F219 HydrophobicContact CB-CD2 3.73Å; L193-F219 HydrophobicContact CB-CE2 3.91Å; L193-F219 HydrophobicContact CD1-CD2 4.49Å; L193-F219 HydrophobicContact CD1-CE2 4.43Å; L193-L253 HydrophobicContact CD2-CB 4.17Å; L193-D255 VanDerWaalsContact CD1-CA 3.5Å; L193-D255 HydrophobicContact CD1-CB 3.43Å; L193-D255 VanDerWaalsContact CD1-CB 3.43Å
194	D	95.1	Very high	90.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.1	-29.7	173.8	-69.2	7.7	0	0	0	112.4	S190 L192 L197 R198 L216 G218 F219 W221	S190-D194 PolarHBondContact O-N 2.88Å; L192-D194 VanDerWaalsContact C-N 3.29Å; L192-D194 PolarHBondContact O-N 3.42Å; D194-L197 PolarHBondContact O-N 2.95Å; D194-R198 PolarHBondContact O-N 2.88Å; D194-L216 HydrophobicContact CB-CD1 3.61Å; D194-L216 HydrophobicContact CB-CD2 3.79Å; D194-L216 HydrophobicContact CB-CG 3.45Å; D194-L216 VanDerWaalsContact CB-CG 3.45Å; D194-G218 VanDerWaalsContact OD1-CA 3.3Å; D194-G218 WeakPolarHBondContact OD1-CA 3.49Å; D194-G218 PolarHBondContact OD2-N 2.77Å; D194-F219 PolarHBondContact OD1-N 2.78Å; D194-W221 PolarHBondContact OD2-NE1 2.77Å
195	F	95.6	Very high	90.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-74.3	-30.8	168.9	-74.8	-66	0	0	0	112.6	F191 L192 L193 L197 R198 Y199 I209 L216 L395 I398 L406	F191-F195 HydrophobicContact CD1-CE2 4.47Å; F191-F195 HydrophobicContact CE1-CD2 4.48Å; F191-F195 AromaticContact CE1-CE2 3.94Å; F191-F195 HydrophobicContact CE1-CE2 3.94Å; F191-F195 AromaticContact CE2-CE2 3.99Å; F191-F195 HydrophobicContact CE2-CE2 3.99Å; F191-F195 AromaticContact CZ-CE2 3.68Å; F191-F195 HydrophobicContact CZ-CE2 3.68Å; F191-F195 HydrophobicContact CZ-CZ 4.49Å; F191-F195 VanDerWaalsContact O-CD2 3.26Å; F191-F195 WeakPolarHBondContact O-CD2 3.43Å; L192-F195 PolarHBondContact O-N 2.89Å; L192-F195 VanDerWaalsContact O-N 3.11Å; L193-F195 VanDerWaalsContact C-N 3.29Å; L193-F195 PolarHBondContact O-N 2.81Å; F195-L197 VanDerWaalsContact C-N 3.35Å; F195-R198 PolarHBondContact O-N 2.84Å; F195-Y199 WeakPolarHBondContact O-CB 3.31Å; F195-Y199 PolarHBondContact O-N 2.99Å; F195-I209 HydrophobicContact CE1-CG1 4.39Å; F195-L216 HydrophobicContact CD1-CD1 4.02Å; F195-L216 HydrophobicContact CD2-CD1 4.39Å; F195-L216 HydrophobicContact CD2-CD2 3.97Å; F195-L216 HydrophobicContact CE1-CD1 3.86Å; F195-L216 HydrophobicContact CE2-CD1 4.26Å; F195-L216 HydrophobicContact CE2-CD2 3.54Å; F195-L216 HydrophobicContact CG-CD1 4.27Å; F195-L216 HydrophobicContact CZ-CD1 3.99Å; F195-L216 HydrophobicContact CZ-CD2 3.87Å; F195-L395 HydrophobicContact CE1-CD2 3.77Å; F195-L395 HydrophobicContact CZ-CD2 3.95Å; F195-I398 HydrophobicContact CE2-CD1 4.46Å; F195-I398 HydrophobicContact CZ-CD1 3.99Å; F195-L406 HydrophobicContact CB-CD1 4.34Å; F195-L406 HydrophobicContact CB-CD2 4.25Å; F195-L406 HydrophobicContact CD1-CD2 3.82Å; F195-L406 HydrophobicContact CD2-CD1 4.45Å; F195-L406 HydrophobicContact CD2-CD2 3.79Å; F195-L406 HydrophobicContact CE1-CD2 4.09Å; F195-L406 HydrophobicContact CE2-CD2 4.04Å; F195-L406 HydrophobicContact CG-CD1 4.48Å; F195-L406 HydrophobicContact CG-CD2 3.68Å; F195-L406 HydrophobicContact CZ-CD2 4.19Å
196	M	96.6	Very high	90.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-43.9	166.7	-61.7	-169.5	-167.7	0	0	110.7	V179 V181 L192 L193 Y199 M200 L253 M410 L413 L414	V179-M196 HydrophobicContact CG1-SD 3.98Å; V181-M196 HydrophobicContact CG2-CE 3.65Å; V181-M196 HydrophobicContact CG2-SD 4.33Å; L192-M196 HydrophobicContact CD2-CE 3.73Å; L192-M196 HydrophobicContact CG-CE 3.95Å; L192-M196 PolarHBondContact O-N 2.82Å; L193-M196 HydrophobicContact CD2-SD 3.78Å; L193-M196 CarbonylContact O-C 3.6Å; L193-M196 WeakPolarHBondContact O-CA 3.47Å; L193-M196 VanDerWaalsContact O-CB 3.29Å; L193-M196 WeakPolarHBondContact O-CB 3.35Å; L193-M196 PolarHBondContact O-N 2.96Å; L193-M196 VanDerWaalsContact O-N 3.12Å; M196-Y199 WeakPolarHBondContact O-CB 3.38Å; M196-Y199 PolarHBondContact O-N 2.96Å; M196-M200 VanDerWaalsContact O-CG 3.26Å; M196-M200 WeakPolarHBondContact O-CG 3.18Å; M196-M200 PolarHBondContact O-N 3.07Å; M196-L253 HydrophobicContact CB-CD1 3.77Å; M196-L253 HydrophobicContact CB-CD2 4.45Å; M196-L253 HydrophobicContact SD-CD2 4.4Å; M196-M410 HydrophobicContact CB-SD 4.3Å; M196-M410 HydrophobicContact CG-CE 4.17Å; M196-M410 HydrophobicContact CG-SD 3.58Å; M196-M410 VanDerWaalsContact CG-SD 3.58Å; M196-L413 HydrophobicContact CE-CD1 3.69Å; M196-L414 HydrophobicContact CB-CD1 3.66Å; M196-L414 HydrophobicContact CG-CD1 3.81Å; M196-L414 HydrophobicContact SD-CD1 4.41Å
197	L	95.8	Very high	90.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-47	174.8	-71.4	170.6	0	0	0	111.9	L193 D194 F195 Y199 M200 Y201 F219 W235 F239 L253	L193-L197 WeakPolarHBondContact O-CG 3.28Å; L193-L197 PolarHBondContact O-N 3.1Å; D194-L197 PolarHBondContact O-N 2.95Å; F195-L197 VanDerWaalsContact C-N 3.35Å; L197-Y199 VanDerWaalsContact C-N 3.31Å; L197-Y199 PolarHBondContact O-N 2.66Å; L197-M200 PolarHBondContact O-N 3.21Å; L197-Y201 HydrophobicContact CD2-CE2 4.29Å; L197-Y201 VanDerWaalsContact O-CD2 3.28Å; L197-Y201 WeakPolarHBondContact O-CD2 3.47Å; L197-Y201 PolarHBondContact O-N 3.43Å; L197-F219 HydrophobicContact CD1-CD2 3.82Å; L197-F219 HydrophobicContact CD1-CE2 3.84Å; L197-F219 HydrophobicContact CG-CE2 4.35Å; L197-W235 HydrophobicContact CD1-CD2 3.86Å; L197-W235 HydrophobicContact CD1-CE3 3.69Å; L197-W235 HydrophobicContact CD1-CH2 3.88Å; L197-W235 HydrophobicContact CD1-CZ2 4.03Å; L197-W235 HydrophobicContact CD1-CZ3 3.7Å; L197-W235 HydrophobicContact CD2-CB 4.31Å; L197-W235 HydrophobicContact CD2-CD2 3.58Å; L197-W235 HydrophobicContact CD2-CE3 4.25Å; L197-W235 HydrophobicContact CD2-CG 3.57Å; L197-W235 HydrophobicContact CD2-CZ2 4.3Å; L197-W235 HydrophobicContact CG-CD2 4.4Å; L197-F239 HydrophobicContact CD2-CE2 4Å; L197-F239 HydrophobicContact CD2-CZ 3.79Å; L197-L253 HydrophobicContact CD2-CD1 3.76Å; L197-L253 HydrophobicContact CG-CD1 4.02Å
198	R	95.2	Very high	90.9	Very high	14 Å²	14	40.1 Å²	40.1	5%	0.053	21%	0.214	C	C	.	.	H	α-helix	trans	-56.9	-43.3	173.9	-79.2	-167.7	173.1	175	5.1	112.2	D194 F195 N202 I209 E214 P215 L216	D194-R198 PolarHBondContact O-N 2.88Å; F195-R198 PolarHBondContact O-N 2.84Å; R198-N202 WeakPolarHBondContact O-CB 3.26Å; R198-N202 PolarHBondContact O-N 3.43Å; R198-N202 PolarHBondContact O-ND2 3.48Å; R198-I209 VanDerWaalsContact CD-O 3.28Å; R198-I209 WeakPolarHBondContact CD-O 3.16Å; R198-I209 PolarHBondContact NH1-O 3.41Å; R198-E214 IonicContact CZ-OE1 2.66Å; R198-E214 IonicContact NE-OE1 3.27Å; R198-E214 PolarHBondContact NH2-O 3.42Å; R198-E214 IonicContact NH2-OE1 3.85Å; R198-P215 VanDerWaalsContact NH2-C 3.27Å; R198-P215 PolarHBondContact NH2-O 3.25Å; R198-L216 HydrophobicContact CG-CD1 4.32Å
199	Y	95.4	Very high	90.9	Very high	19 Å²	19	40.5 Å²	40.5	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-50.7	174.5	-175.5	-93.3	0	0	0	111.7	F195 M196 L197 Y201 N202 Q203 W208 M410 P411 L414	F195-Y199 WeakPolarHBondContact O-CB 3.31Å; F195-Y199 PolarHBondContact O-N 2.99Å; M196-Y199 WeakPolarHBondContact O-CB 3.38Å; M196-Y199 PolarHBondContact O-N 2.96Å; L197-Y199 VanDerWaalsContact C-N 3.31Å; L197-Y199 PolarHBondContact O-N 2.66Å; Y199-Y201 PolarHBondContact O-N 3.15Å; Y199-N202 CarbonylContact O-C 3.56Å; Y199-N202 PolarHBondContact O-N 2.92Å; Y199-N202 VanDerWaalsContact O-N 3.12Å; Y199-Q203 HydrophobicContact CD1-CG 4.04Å; Y199-Q203 HydrophobicContact CE1-CG 3.86Å; Y199-Q203 WeakPolarHBondContact O-CA 3.38Å; Y199-Q203 WeakPolarHBondContact O-CG 3.48Å; Y199-Q203 PolarHBondContact O-N 3.04Å; Y199-W208 AromaticContact CD2-CD2 3.57Å; Y199-W208 HydrophobicContact CD2-CD2 3.57Å; Y199-W208 AromaticContact CD2-CE2 3.67Å; Y199-W208 AromaticContact CD2-CE3 3.85Å; Y199-W208 HydrophobicContact CD2-CE3 3.85Å; Y199-W208 AromaticContact CD2-CG 3.97Å; Y199-W208 HydrophobicContact CD2-CG 3.97Å; Y199-W208 HydrophobicContact CD2-CH2 4.35Å; Y199-W208 HydrophobicContact CD2-CZ2 4.04Å; Y199-W208 HydrophobicContact CD2-CZ3 4.25Å; Y199-W208 HydrophobicContact CE2-CD2 4.4Å; Y199-W208 HydrophobicContact CG-CD2 4.43Å; Y199-W208 HydrophobicContact CG-CE3 4.32Å; Y199-M410 HydrophobicContact CD2-CB 3.67Å; Y199-M410 HydrophobicContact CE2-CB 4.22Å; Y199-M410 HydrophobicContact CG-CB 3.9Å; Y199-P411 HydrophobicContact CE2-CG 4.11Å; Y199-L414 HydrophobicContact CD1-CB 3.51Å; Y199-L414 HydrophobicContact CD1-CD1 3.8Å; Y199-L414 HydrophobicContact CD1-CG 4.31Å; Y199-L414 HydrophobicContact CE1-CB 3.47Å; Y199-L414 VanDerWaalsContact CE1-CB 3.47Å; Y199-L414 HydrophobicContact CG-CD1 4.35Å
200	M	95	Very high	90.7	Very high	13 Å²	13	41 Å²	41	6%	0.064	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-41	-177.4	-67.6	-55.6	-64.8	0	0	113	M196 L197 N202 Q203 F239 V241 V251 L253 L414	M196-M200 VanDerWaalsContact O-CG 3.26Å; M196-M200 WeakPolarHBondContact O-CG 3.18Å; M196-M200 PolarHBondContact O-N 3.07Å; L197-M200 PolarHBondContact O-N 3.21Å; M200-N202 VanDerWaalsContact C-N 3.29Å; M200-N202 PolarHBondContact O-N 3.44Å; M200-Q203 PolarHBondContact SD-NE2 2.73Å; M200-F239 HydrophobicContact CB-CD1 3.73Å; M200-F239 HydrophobicContact CB-CD2 4Å; M200-F239 HydrophobicContact CB-CE1 3.57Å; M200-F239 HydrophobicContact CB-CE2 3.87Å; M200-F239 HydrophobicContact CB-CG 3.94Å; M200-F239 HydrophobicContact CB-CZ 3.66Å; M200-F239 HydrophobicContact CE-CB 3.47Å; M200-F239 VanDerWaalsContact CE-CB 3.47Å; M200-F239 HydrophobicContact CE-CD1 4.36Å; M200-F239 HydrophobicContact CE-CD2 3.95Å; M200-F239 HydrophobicContact CE-CG 3.68Å; M200-F239 HydrophobicContact CG-CD2 4.14Å; M200-F239 HydrophobicContact CG-CE2 4.17Å; M200-F239 HydrophobicContact CG-CG 4.4Å; M200-F239 HydrophobicContact CG-CZ 4.43Å; M200-V241 HydrophobicContact CE-CG2 3.76Å; M200-V251 HydrophobicContact CE-CB 3.85Å; M200-V251 HydrophobicContact CE-CG1 3.93Å; M200-V251 HydrophobicContact CE-CG2 4.03Å; M200-L253 HydrophobicContact CG-CD1 4.35Å; M200-L414 HydrophobicContact CG-CD1 4.24Å; M200-L414 HydrophobicContact SD-CB 4.02Å; M200-L414 HydrophobicContact SD-CD1 4.1Å; M200-L414 HydrophobicContact SD-CD2 3.95Å; M200-L414 HydrophobicContact SD-CG 4.24Å
201	Y	94.2	Very high	90.5	Very high	101 Å²	101	42 Å²	42	40%	0.396	23%	0.231	S	C	.	.	H	α-helix	trans	-72.2	-18.7	175.9	-77.7	-62.4	0	0	0	113.9	P140 L197 Y199 W235 D237 F239	P140-Y201 WeakPolarHBondContact CB-OH 3.48Å; L197-Y201 HydrophobicContact CD2-CE2 4.29Å; L197-Y201 VanDerWaalsContact O-CD2 3.28Å; L197-Y201 WeakPolarHBondContact O-CD2 3.47Å; L197-Y201 PolarHBondContact O-N 3.43Å; Y199-Y201 PolarHBondContact O-N 3.15Å; Y201-W235 AromaticContact CE2-NE1 3.88Å; Y201-W235 AromaticContact CZ-NE1 3.81Å; Y201-W235 PolarHBondContact OH-NE1 3.25Å; Y201-D237 VanDerWaalsContact CE1-OD2 3.32Å; Y201-D237 WeakPolarHBondContact CE1-OD2 3.49Å; Y201-D237 PolarHBondContact OH-OD2 3.5Å; Y201-F239 AromaticContact CD1-CE1 3.77Å; Y201-F239 HydrophobicContact CD1-CE1 3.77Å; Y201-F239 HydrophobicContact CD2-CE1 4.05Å; Y201-F239 HydrophobicContact CD2-CZ 4.16Å; Y201-F239 AromaticContact CE1-CE1 3.56Å; Y201-F239 HydrophobicContact CE1-CE1 3.56Å; Y201-F239 HydrophobicContact CE1-CZ 4.2Å; Y201-F239 AromaticContact CE2-CE1 3.87Å; Y201-F239 HydrophobicContact CE2-CE1 3.87Å; Y201-F239 AromaticContact CE2-CZ 3.74Å; Y201-F239 HydrophobicContact CE2-CZ 3.74Å; Y201-F239 AromaticContact CG-CE1 3.98Å; Y201-F239 HydrophobicContact CG-CE1 3.98Å; Y201-F239 AromaticContact CZ-CE1 3.6Å; Y201-F239 AromaticContact CZ-CZ 3.74Å
202	N	92.1	Very high	90.2	Very high	72 Å²	72	45.9 Å²	45.9	39%	0.385	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	24.5	-172.6	-59.5	-82.9	0	0	0	113.9	R198 Y199 M200 H204 S205 W208	R198-N202 WeakPolarHBondContact O-CB 3.26Å; R198-N202 PolarHBondContact O-N 3.43Å; R198-N202 PolarHBondContact O-ND2 3.48Å; Y199-N202 CarbonylContact O-C 3.56Å; Y199-N202 PolarHBondContact O-N 2.92Å; Y199-N202 VanDerWaalsContact O-N 3.12Å; M200-N202 VanDerWaalsContact C-N 3.29Å; M200-N202 PolarHBondContact O-N 3.44Å; N202-H204 PolarHBondContact O-N 3.31Å; N202-S205 WeakPolarHBondContact O-CB 3.42Å; N202-S205 PolarHBondContact O-N 3.01Å; N202-W208 HydrophobicContact CB-CB 3.7Å; N202-W208 WeakPolarHBondContact O-CB 3.5Å
203	Q	82	Confident	89.9	Confident	40 Å²	40	52.1 Å²	52.1	19%	0.187	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-24	-173.7	-70.6	-161	-13	0	0	115.1	Y199 M200 L414	Y199-Q203 HydrophobicContact CD1-CG 4.04Å; Y199-Q203 HydrophobicContact CE1-CG 3.86Å; Y199-Q203 WeakPolarHBondContact O-CA 3.38Å; Y199-Q203 WeakPolarHBondContact O-CG 3.48Å; Y199-Q203 PolarHBondContact O-N 3.04Å; M200-Q203 PolarHBondContact SD-NE2 2.73Å; Q203-L414 PolarHBondContact NE2-O 3.38Å
204	H	78.8	Confident	89.6	Confident	195 Å²	195	56.3 Å²	56.3	90%	0.903	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	11.8	179.5	-53.1	-47	0	0	0	114.1	N202	N202-H204 PolarHBondContact O-N 3.31Å
205	S	85.3	Confident	89.4	Confident	52 Å²	52	58.5 Å²	58.5	36%	0.364	32%	0.315	S	S	.	.			trans	-119.1	126.8	-179	-178.3	0	0	0	0	111.4	N202 A207 W208	N202-S205 WeakPolarHBondContact O-CB 3.42Å; N202-S205 PolarHBondContact O-N 3.01Å; S205-A207 PolarHBondContact O-N 2.95Å; S205-A207 VanDerWaalsContact O-N 3.07Å; S205-A207 PolarHBondContact OG-N 3.34Å; S205-W208 WeakPolarHBondContact O-CB 3.45Å; S205-W208 PolarHBondContact O-N 3.13Å; S205-W208 VanDerWaalsContact O-N 3.12Å
206	D	78.3	Confident	89.2	Confident	177 Å²	177	59 Å²	59	95%	0.947	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.4	171.2	-59.6	-47	0	0	0	112.5
207	A	84.1	Confident	88.9	Confident	66 Å²	66	65.4 Å²	65.4	55%	0.545	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	23.6	179.1	0	0	0	0	0	113.7	S205 I209 G210	S205-A207 PolarHBondContact O-N 2.95Å; S205-A207 VanDerWaalsContact O-N 3.07Å; S205-A207 PolarHBondContact OG-N 3.34Å; A207-I209 PolarHBondContact O-N 2.84Å; A207-G210 PolarHBondContact O-N 2.86Å; A207-G210 VanDerWaalsContact O-N 3.13Å
208	W	90.9	Very high	88.6	Confident	28 Å²	28	65.9 Å²	65.9	11%	0.106	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-24.3	-176.1	66	-98.7	0	0	0	115.6	Y199 N202 S205 G210 A407 M410	Y199-W208 AromaticContact CD2-CD2 3.57Å; Y199-W208 HydrophobicContact CD2-CD2 3.57Å; Y199-W208 AromaticContact CD2-CE2 3.67Å; Y199-W208 AromaticContact CD2-CE3 3.85Å; Y199-W208 HydrophobicContact CD2-CE3 3.85Å; Y199-W208 AromaticContact CD2-CG 3.97Å; Y199-W208 HydrophobicContact CD2-CG 3.97Å; Y199-W208 HydrophobicContact CD2-CH2 4.35Å; Y199-W208 HydrophobicContact CD2-CZ2 4.04Å; Y199-W208 HydrophobicContact CD2-CZ3 4.25Å; Y199-W208 HydrophobicContact CE2-CD2 4.4Å; Y199-W208 HydrophobicContact CG-CD2 4.43Å; Y199-W208 HydrophobicContact CG-CE3 4.32Å; N202-W208 HydrophobicContact CB-CB 3.7Å; N202-W208 WeakPolarHBondContact O-CB 3.5Å; S205-W208 WeakPolarHBondContact O-CB 3.45Å; S205-W208 PolarHBondContact O-N 3.13Å; S205-W208 VanDerWaalsContact O-N 3.12Å; W208-G210 PolarHBondContact O-N 2.82Å; W208-G210 VanDerWaalsContact O-N 3.16Å; W208-A407 HydrophobicContact CZ2-CB 4.4Å; W208-M410 HydrophobicContact CH2-CB 3.63Å; W208-M410 HydrophobicContact CH2-CG 3.36Å; W208-M410 HydrophobicContact CZ2-CB 3.94Å; W208-M410 HydrophobicContact CZ2-CG 4.17Å; W208-M410 HydrophobicContact CZ3-CB 4.22Å; W208-M410 HydrophobicContact CZ3-CG 3.76Å
209	I	89.4	Confident	88.4	Confident	33 Å²	33	65.4 Å²	65.4	17%	0.169	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.7	-178.6	-165	169	0	0	0	112.9	F195 R198 A207 L395 K403 L406	F195-I209 HydrophobicContact CE1-CG1 4.39Å; R198-I209 VanDerWaalsContact CD-O 3.28Å; R198-I209 WeakPolarHBondContact CD-O 3.16Å; R198-I209 PolarHBondContact NH1-O 3.41Å; A207-I209 PolarHBondContact O-N 2.84Å; I209-L395 HydrophobicContact CB-CD1 4.44Å; I209-L395 HydrophobicContact CD1-CD1 4.5Å; I209-L395 HydrophobicContact CD1-CD2 4.41Å; I209-L395 HydrophobicContact CG1-CD1 3.99Å; I209-L395 HydrophobicContact CG1-CD2 4.07Å; I209-L395 HydrophobicContact CG2-CD1 3.93Å; I209-K403 HydrophobicContact CD1-CB 4.33Å; I209-L406 HydrophobicContact CD1-CD2 4.23Å
210	G	87	Confident	87.9	Confident	22 Å²	22	71.2 Å²	71.2	23%	0.227	38%	0.38	C	S	.	.			trans	95.5	178.7	177.2	0	0	0	0	0	113.6	A207 W208 E214 L395	A207-G210 PolarHBondContact O-N 2.86Å; A207-G210 VanDerWaalsContact O-N 3.13Å; W208-G210 PolarHBondContact O-N 2.82Å; W208-G210 VanDerWaalsContact O-N 3.16Å; G210-E214 VanDerWaalsContact CA-OE2 3.3Å; G210-E214 WeakPolarHBondContact CA-OE2 3.42Å; G210-L395 WeakPolarHBondContact O-CD1 3.44Å
211	G	86.4	Confident	87.3	Confident	34 Å²	34	73.6 Å²	73.6	35%	0.351	39%	0.389	S	S	.	.			trans	-82.3	150.9	-178	0	0	0	0	0	114.5	H213 E214	G211-H213 PolarHBondContact O-N 3.37Å; G211-E214 PolarHBondContact N-OE2 3.16Å; G211-E214 WeakPolarHBondContact O-CB 3.16Å; G211-E214 PolarHBondContact O-N 3.13Å
212	D	86.6	Confident	86.7	Confident	93 Å²	93	74.1 Å²	74.1	50%	0.497	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-19.4	176.6	-94.5	-27.6	0	0	0	115.1	K396	D212-K396 HydrophobicContact CB-CB 4.42Å; D212-K396 WeakPolarHBondContact O-CB 3.43Å; D212-K396 WeakPolarHBondContact O-CG 3.48Å; D212-K396 PolarHBondContact O-N 3Å
213	H	88.4	Confident	85.7	Confident	131 Å²	131	73.4 Å²	73.4	61%	0.606	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	2.1	-177.9	-62.8	-0.7	0	0	0	112.8	G211 R394	G211-H213 PolarHBondContact O-N 3.37Å; H213-R394 PolarHBondContact O-NH1 2.93Å
214	E	89.1	Confident	85.4	Confident	88 Å²	88	74 Å²	74	41%	0.411	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-85.5	121.3	-177.5	-168.5	-166.5	151.1	0	0	110.6	R198 G210 G211	R198-E214 IonicContact CZ-OE1 2.66Å; R198-E214 IonicContact NE-OE1 3.27Å; R198-E214 PolarHBondContact NH2-O 3.42Å; R198-E214 IonicContact NH2-OE1 3.85Å; G210-E214 VanDerWaalsContact CA-OE2 3.3Å; G210-E214 WeakPolarHBondContact CA-OE2 3.42Å; G211-E214 PolarHBondContact N-OE2 3.16Å; G211-E214 WeakPolarHBondContact O-CB 3.16Å; G211-E214 PolarHBondContact O-N 3.13Å
215	P	91.3	Very high	85	Confident	47 Å²	47	70.4 Å²	70.4	31%	0.305	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-68.1	151.9	176.6	31.2	-35.4	0	0	0	111	R198 I217 D392	R198-P215 VanDerWaalsContact NH2-C 3.27Å; R198-P215 PolarHBondContact NH2-O 3.25Å; P215-I217 HydrophobicContact CG-CD1 4.3Å; P215-I217 HydrophobicContact CG-CG1 4.49Å; P215-D392 CarbonylContact C-O 3.58Å; P215-D392 WeakPolarHBondContact CA-O 3.47Å; P215-D392 HydrophobicContact CB-CB 4.34Å; P215-D392 WeakPolarHBondContact CB-O 3.27Å
216	L	90.8	Very high	84.4	Confident	11 Å²	11	73.6 Å²	73.6	6%	0.058	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-85.7	124.4	178.7	-170.4	66.1	0	0	0	109.2	F191 D194 F195 R198 W221 D392	F191-L216 HydrophobicContact CD2-CD2 3.52Å; F191-L216 HydrophobicContact CE2-CD2 3.67Å; F191-L216 HydrophobicContact CG-CD2 4.29Å; D194-L216 HydrophobicContact CB-CD1 3.61Å; D194-L216 HydrophobicContact CB-CD2 3.79Å; D194-L216 HydrophobicContact CB-CG 3.45Å; D194-L216 VanDerWaalsContact CB-CG 3.45Å; F195-L216 HydrophobicContact CD1-CD1 4.02Å; F195-L216 HydrophobicContact CD2-CD1 4.39Å; F195-L216 HydrophobicContact CD2-CD2 3.97Å; F195-L216 HydrophobicContact CE1-CD1 3.86Å; F195-L216 HydrophobicContact CE2-CD1 4.26Å; F195-L216 HydrophobicContact CE2-CD2 3.54Å; F195-L216 HydrophobicContact CG-CD1 4.27Å; F195-L216 HydrophobicContact CZ-CD1 3.99Å; F195-L216 HydrophobicContact CZ-CD2 3.87Å; R198-L216 HydrophobicContact CG-CD1 4.32Å; L216-W221 HydrophobicContact CB-CZ2 4.1Å; L216-W221 HydrophobicContact CD2-CZ2 4.3Å; L216-D392 PolarHBondContact N-O 3.42Å
217	I	90	Very high	84.3	Confident	133 Å²	133	66.5 Å²	66.5	68%	0.682	38%	0.381	S	S	*	.			trans	-132.3	130.9	-172.1	-56.3	173.4	0	0	0	108.3	P215	P215-I217 HydrophobicContact CG-CD1 4.3Å; P215-I217 HydrophobicContact CG-CG1 4.49Å
218	G	91.4	Very high	83.8	Confident	15 Å²	15	66.7 Å²	66.7	16%	0.155	37%	0.371	C	S	.	.	S	Bend	trans	175	-115.6	178.1	0	0	0	0	0	111.5	D194 W235	D194-G218 VanDerWaalsContact OD1-CA 3.3Å; D194-G218 WeakPolarHBondContact OD1-CA 3.49Å; D194-G218 PolarHBondContact OD2-N 2.77Å; G218-W235 VanDerWaalsContact C-CZ3 3.45Å
219	F	89.4	Confident	82.9	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.018	37%	0.368	C	S	.	.	S	Bend	trans	-65.2	156	170	-66.5	-93.5	0	0	0	110.6	P142 L193 D194 L197 W221 Q233 W235 D255	P142-F219 HydrophobicContact CB-CD1 3.69Å; P142-F219 HydrophobicContact CB-CE1 4.13Å; P142-F219 HydrophobicContact CB-CG 4.37Å; L193-F219 HydrophobicContact CB-CD2 3.73Å; L193-F219 HydrophobicContact CB-CE2 3.91Å; L193-F219 HydrophobicContact CD1-CD2 4.49Å; L193-F219 HydrophobicContact CD1-CE2 4.43Å; D194-F219 PolarHBondContact OD1-N 2.78Å; L197-F219 HydrophobicContact CD1-CD2 3.82Å; L197-F219 HydrophobicContact CD1-CE2 3.84Å; L197-F219 HydrophobicContact CG-CE2 4.35Å; F219-W221 PolarHBondContact O-N 2.89Å; F219-Q233 HydrophobicContact CD1-CB 4.42Å; F219-Q233 HydrophobicContact CE1-CB 4.27Å; F219-W235 HydrophobicContact CD2-CE3 4.28Å; F219-W235 AromaticContact CE2-CE3 3.97Å; F219-W235 HydrophobicContact CE2-CE3 3.97Å; F219-W235 HydrophobicContact CZ-CB 4.11Å; F219-W235 HydrophobicContact CZ-CE3 4.11Å; F219-D255 HydrophobicContact CD1-CB 3.7Å; F219-D255 HydrophobicContact CE1-CB 3.85Å; F219-D255 HydrophobicContact CG-CB 4.32Å
220	K	85.8	Confident	82.4	Confident	141 Å²	141	66.1 Å²	66.1	61%	0.613	37%	0.372	S	S	*	.			trans	-75.3	116.2	-179.8	-70	-176.2	-179.5	177.4	0	110.7	E228	K220-E228 HydrophobicContact CB-CG 4.46Å; K220-E228 WeakPolarHBondContact O-CG 3.32Å
221	W	82.9	Confident	82.3	Confident	63 Å²	63	65.1 Å²	65.1	24%	0.239	36%	0.361	C	S	.	.			trans	-129.3	148.3	172.4	65.5	-87.7	0	0	0	111.9	F191 D194 L216 F219 F391	F191-W221 HydrophobicContact CB-CD2 4.48Å; F191-W221 HydrophobicContact CD2-CD2 4.25Å; F191-W221 HydrophobicContact CD2-CE3 4.25Å; F191-W221 HydrophobicContact CD2-CH2 4.2Å; F191-W221 HydrophobicContact CD2-CZ2 4.16Å; F191-W221 HydrophobicContact CD2-CZ3 4.22Å; F191-W221 HydrophobicContact CE2-CH2 4.43Å; D194-W221 PolarHBondContact OD2-NE1 2.77Å; L216-W221 HydrophobicContact CB-CZ2 4.1Å; L216-W221 HydrophobicContact CD2-CZ2 4.3Å; F219-W221 PolarHBondContact O-N 2.89Å; W221-F391 AromaticContact CH2-CD1 3.66Å; W221-F391 HydrophobicContact CH2-CD1 3.66Å; W221-F391 AromaticContact CH2-CE1 3.62Å; W221-F391 HydrophobicContact CH2-CE1 3.62Å; W221-F391 AromaticContact CZ3-CD1 3.82Å; W221-F391 HydrophobicContact CZ3-CD1 3.82Å; W221-F391 AromaticContact CZ3-CE1 3.97Å; W221-F391 HydrophobicContact CZ3-CE1 3.97Å
222	R	80.3	Confident	82.6	Confident	112 Å²	112	63.5 Å²	63.5	42%	0.423	35%	0.345	S	S	.	.			trans	-150.6	164.7	169.3	62.2	166.3	168.8	130.8	7.6	110.6	R186 E226 R227 E228	R186-R222 PolarHBondContact NH1-O 2.67Å; R222-E226 IonicContact CZ-OE2 2.67Å; R222-E226 VanDerWaalsContact CZ-OE2 3.26Å; R222-E226 IonicContact NH1-OE2 2.84Å; R222-E226 PolarHBondContact NH1-OE2 2.91Å; R222-E226 IonicContact NH2-OE2 2.91Å; R222-E226 PolarHBondContact NH2-OE2 2.84Å; R222-R227 PolarHBondContact NH2-O 3.43Å; R222-E228 WeakPolarHBondContact CG-OE2 3.44Å; R222-E228 IonicContact CZ-OE2 3.19Å; R222-E228 IonicContact NE-OE1 3.95Å; R222-E228 IonicContact NE-OE2 2.98Å; R222-E228 PolarHBondContact NE-OE2 2.9Å; R222-E228 IonicContact NH2-OE2 3.88Å; R222-E228 PolarHBondContact NH2-OE2 2.82Å
223	G	70.7	Confident	82.9	Confident	57 Å²	57	60 Å²	60	59%	0.588	33%	0.326	S	S	*	.			trans	-74.1	-179.3	162.6	0	0	0	0	0	112.7
224	G	76	Confident	83.3	Confident	53 Å²	53	53.8 Å²	53.8	55%	0.546	30%	0.297	S	S	.	.	S	Bend	trans	100.9	177.2	-179.5	0	0	0	0	0	114	R186	R186-G224 WeakPolarHBondContact CD-O 3.35Å; R186-G224 WeakPolarHBondContact CG-O 3.27Å; R186-G224 PolarHBondContact NE-O 3.12Å
225	C	71.9	Confident	83.6	Confident	119 Å²	119	50.2 Å²	50.2	80%	0.804	28%	0.279	S	S	*	.	S	Bend	trans	-101.4	-13.4	-165.3	-54.1	0	0	0	0	115.3
226	E	71.4	Confident	83.8	Confident	118 Å²	118	49.5 Å²	49.5	55%	0.551	28%	0.275	S	S	*	.	S	Bend	trans	-75.5	179.5	177.7	-58.3	170.5	144.1	0	0	111.4	R186 R222	R186-E226 PolarHBondContact NE-O 3.5Å; R186-E226 PolarHBondContact NH2-O 3.09Å; R222-E226 IonicContact CZ-OE2 2.67Å; R222-E226 VanDerWaalsContact CZ-OE2 3.26Å; R222-E226 IonicContact NH1-OE2 2.84Å; R222-E226 PolarHBondContact NH1-OE2 2.91Å; R222-E226 IonicContact NH2-OE2 2.91Å; R222-E226 PolarHBondContact NH2-OE2 2.84Å
227	R	75.8	Confident	84	Confident	28 Å²	28	51.5 Å²	51.5	11%	0.106	29%	0.286	C	S	.	.			trans	-83.3	170.5	167.9	66.8	-169.2	-177.6	-174.6	0.8	113.4	E150 R186 R222 T230 D261 Q263 S264	E150-R227 IonicContact OE1-CZ 2.67Å; E150-R227 IonicContact OE1-NE 3.64Å; E150-R227 IonicContact OE1-NH2 3.83Å; E150-R227 PolarHBondContact OE1-NH2 3.44Å; R186-R227 PolarHBondContact NH2-O 2.88Å; R222-R227 PolarHBondContact NH2-O 3.43Å; R227-T230 HydrophobicContact CG-CG2 4.45Å; R227-D261 HydrophobicContact CB-CB 4.46Å; R227-D261 WeakPolarHBondContact CD-OD2 3.24Å; R227-D261 IonicContact CZ-OD1 2.75Å; R227-D261 IonicContact CZ-OD2 2.62Å; R227-D261 IonicContact NE-OD2 2.7Å; R227-D261 IonicContact NH1-OD1 3.18Å; R227-D261 PolarHBondContact NH1-OD1 3.23Å; R227-D261 IonicContact NH1-OD2 3.77Å; R227-D261 PolarHBondContact NH1-OD2 2.83Å; R227-Q263 VanDerWaalsContact CZ-CB 3.43Å; R227-S264 PolarHBondContact NH1-OG 2.75Å
228	E	73.6	Confident	84.3	Confident	70 Å²	70	45.4 Å²	45.4	33%	0.327	26%	0.255	S	S	.	.			trans	-134.8	-75.8	177.2	-159.5	66.5	-161	0	0	110.5	R186 K220 R222 T230	R186-E228 IonicContact CZ-OE2 3.94Å; R186-E228 IonicContact NH1-OE2 2.96Å; R186-E228 IonicContact NH2-OE2 3.89Å; R186-E228 PolarHBondContact NH2-OE2 2.87Å; K220-E228 HydrophobicContact CB-CG 4.46Å; K220-E228 WeakPolarHBondContact O-CG 3.32Å; R222-E228 WeakPolarHBondContact CG-OE2 3.44Å; R222-E228 IonicContact CZ-OE2 3.19Å; R222-E228 IonicContact NE-OE1 3.95Å; R222-E228 IonicContact NE-OE2 2.98Å; R222-E228 PolarHBondContact NE-OE2 2.9Å; R222-E228 IonicContact NH2-OE2 3.88Å; R222-E228 PolarHBondContact NH2-OE2 2.82Å; E228-T230 PolarHBondContact O-N 3.5Å
229	T	73.1	Confident	84.5	Confident	9 Å²	9	45.6 Å²	45.6	6%	0.055	25%	0.252	C	S	.	.			trans	-66.3	122.5	170.2	-38.1	0	0	0	0	109.2	S190 Q233 D255 Q257	S190-T229 PolarHBondContact OG-OG1 2.78Å; T229-Q233 HydrophobicContact CG2-CG 4.17Å; T229-D255 HydrophobicContact CG2-CB 4.33Å; T229-D255 WeakPolarHBondContact CG2-OD2 3.43Å; T229-D255 PolarHBondContact OG1-OD2 3.31Å; T229-Q257 WeakPolarHBondContact O-CA 3.42Å; T229-Q257 WeakPolarHBondContact O-CG 3.49Å
230	T	78.6	Confident	84.8	Confident	41 Å²	41	48.4 Å²	48.4	25%	0.252	27%	0.269	S	S	.	.			trans	-108.3	156.5	165.9	55.1	0	0	0	0	109.5	Q144 R227 E228 I232	Q144-T230 PolarHBondContact NE2-O 3.21Å; R227-T230 HydrophobicContact CG-CG2 4.45Å; E228-T230 PolarHBondContact O-N 3.5Å; T230-I232 PolarHBondContact O-N 3.12Å
231	G	85.7	Confident	85.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	51.9	-126.6	-178.5	0	0	0	0	0	114.6	V146 Q257	V146-G231 WeakPolarHBondContact O-CA 3.34Å; G231-Q257 WeakPolarHBondContact O-CB 3.35Å; G231-Q257 PolarHBondContact O-N 3.32Å
232	I	91.8	Very high	85.8	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132	177	-55.9	178.1	0	0	0	110	Q144 I145 V146 T230 V254 V272 L275	Q144-I232 PolarHBondContact NE2-O 2.96Å; I145-I232 HydrophobicContact CD1-CG2 4.08Å; I145-I232 HydrophobicContact CG1-CB 4.32Å; I145-I232 HydrophobicContact CG1-CG2 4.1Å; I145-I232 WeakPolarHBondContact CG1-O 3.31Å; I145-I232 PolarHBondContact N-O 2.69Å; V146-I232 HydrophobicContact CB-CB 3.98Å; V146-I232 HydrophobicContact CB-CD1 4.48Å; V146-I232 HydrophobicContact CB-CG1 4.23Å; V146-I232 HydrophobicContact CG2-CB 4.22Å; V146-I232 HydrophobicContact CG2-CD1 4.27Å; V146-I232 HydrophobicContact CG2-CG1 4.48Å; V146-I232 PolarHBondContact N-O 2.94Å; V146-I232 VanDerWaalsContact N-O 3.14Å; V146-I232 PolarHBondContact O-N 3.31Å; T230-I232 PolarHBondContact O-N 3.12Å; I232-V254 HydrophobicContact CG2-CG1 3.4Å; I232-V272 HydrophobicContact CG1-CG1 4.09Å; I232-L275 HydrophobicContact CD1-CB 3.83Å; I232-L275 HydrophobicContact CD1-CD1 4.49Å
233	Q	93.8	Very high	86.5	Confident	20 Å²	20	40.6 Å²	40.6	9%	0.093	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.5	173.3	-67	178.6	7	0	0	110.7	V143 Q144 F219 T229 V254 D255	V143-Q233 CarbonylContact O-C 3.54Å; V143-Q233 VanDerWaalsContact O-CA 3.27Å; V143-Q233 WeakPolarHBondContact O-CA 3.43Å; Q144-Q233 VanDerWaalsContact OE1-CG 3.26Å; F219-Q233 HydrophobicContact CD1-CB 4.42Å; F219-Q233 HydrophobicContact CE1-CB 4.27Å; T229-Q233 HydrophobicContact CG2-CG 4.17Å; Q233-V254 WeakPolarHBondContact O-CA 3.26Å; Q233-D255 PolarHBondContact N-O 3.37Å; Q233-D255 PolarHBondContact O-N 2.92Å; Q233-D255 VanDerWaalsContact O-O 3.11Å
234	V	95.6	Very high	87.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	159.9	170.7	-59.9	0	0	0	0	110.3	P142 V143 I145 I165 L252 L253 V254	P142-V234 WeakPolarHBondContact CA-O 3.38Å; V143-V234 PolarHBondContact N-O 3.24Å; V143-V234 PolarHBondContact O-N 3.26Å; I145-V234 HydrophobicContact CD1-CG1 3.54Å; I145-V234 HydrophobicContact CG1-CG1 3.98Å; I145-V234 HydrophobicContact CG2-CG2 3.67Å; I165-V234 HydrophobicContact CD1-CG2 3.66Å; V234-L252 HydrophobicContact CB-CD1 4.01Å; V234-L252 HydrophobicContact CB-CG 4.45Å; V234-L252 HydrophobicContact CG1-CD1 4.4Å; V234-L252 HydrophobicContact CG1-CD2 4.22Å; V234-L252 HydrophobicContact CG1-CG 4.39Å; V234-L252 HydrophobicContact CG2-CD1 4.46Å; V234-L253 WeakPolarHBondContact CA-O 3.49Å; V234-V254 HydrophobicContact CG1-CG1 4.22Å; V234-V254 HydrophobicContact CG1-CG2 4.11Å
235	W	96.5	Very high	88.1	Confident	13 Å²	13	44.8 Å²	44.8	5%	0.049	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	140	166.6	-158.1	-120.5	0	0	0	110.5	P140 G141 P142 L197 Y201 G218 F219 D237 F239 L253	P140-W235 VanDerWaalsContact C-CZ2 3.45Å; P140-W235 HydrophobicContact CB-CZ2 3.68Å; P140-W235 WeakPolarHBondContact O-CH2 3.48Å; P140-W235 WeakPolarHBondContact O-CZ2 3.41Å; G141-W235 VanDerWaalsContact C-CE3 3.48Å; G141-W235 VanDerWaalsContact C-CZ3 3.42Å; G141-W235 VanDerWaalsContact CA-CH2 3.48Å; G141-W235 VanDerWaalsContact CA-CZ3 3.5Å; P142-W235 HydrophobicContact CB-CZ3 4.46Å; L197-W235 HydrophobicContact CD1-CD2 3.86Å; L197-W235 HydrophobicContact CD1-CE3 3.69Å; L197-W235 HydrophobicContact CD1-CH2 3.88Å; L197-W235 HydrophobicContact CD1-CZ2 4.03Å; L197-W235 HydrophobicContact CD1-CZ3 3.7Å; L197-W235 HydrophobicContact CD2-CB 4.31Å; L197-W235 HydrophobicContact CD2-CD2 3.58Å; L197-W235 HydrophobicContact CD2-CE3 4.25Å; L197-W235 HydrophobicContact CD2-CG 3.57Å; L197-W235 HydrophobicContact CD2-CZ2 4.3Å; L197-W235 HydrophobicContact CG-CD2 4.4Å; Y201-W235 AromaticContact CE2-NE1 3.88Å; Y201-W235 AromaticContact CZ-NE1 3.81Å; Y201-W235 PolarHBondContact OH-NE1 3.25Å; G218-W235 VanDerWaalsContact C-CZ3 3.45Å; F219-W235 HydrophobicContact CD2-CE3 4.28Å; F219-W235 AromaticContact CE2-CE3 3.97Å; F219-W235 HydrophobicContact CE2-CE3 3.97Å; F219-W235 HydrophobicContact CZ-CB 4.11Å; F219-W235 HydrophobicContact CZ-CE3 4.11Å; W235-D237 VanDerWaalsContact C-N 3.3Å; W235-D237 PolarHBondContact O-N 3.39Å; W235-F239 AromaticContact CD1-CE2 3.98Å; W235-F239 AromaticContact CD1-CZ 3.99Å; W235-L253 PolarHBondContact N-O 2.95Å; W235-L253 VanDerWaalsContact N-O 3.15Å
236	S	94.8	Very high	88.9	Confident	31 Å²	31	41.3 Å²	41.3	22%	0.217	23%	0.229	C	C	.	.	S	Bend	trans	-73.4	-21.5	-178.6	62.8	0	0	0	0	114.4	P140 G141	P140-S236 WeakPolarHBondContact CA-OG 3.5Å; G141-S236 PolarHBondContact N-OG 2.99Å; G141-S236 WeakPolarHBondContact O-CB 3.47Å; G141-S236 PolarHBondContact O-N 2.85Å; G141-S236 PolarHBondContact O-OG 3.3Å
237	D	94.6	Very high	89.9	Confident	54 Å²	54	39.4 Å²	39.4	29%	0.289	22%	0.222	S	C	.	.	S	Bend	trans	-101.7	129.3	-178.6	-176.1	11.3	0	0	0	109	P140 Y201 W235	P140-D237 HydrophobicContact CB-CB 3.91Å; P140-D237 HydrophobicContact CG-CB 4.03Å; Y201-D237 VanDerWaalsContact CE1-OD2 3.32Å; Y201-D237 WeakPolarHBondContact CE1-OD2 3.49Å; Y201-D237 PolarHBondContact OH-OD2 3.5Å; W235-D237 VanDerWaalsContact C-N 3.3Å; W235-D237 PolarHBondContact O-N 3.39Å
238	V	95.9	Very high	90.8	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.024	24%	0.24	C	C	.	.			trans	-113	99.4	-169.6	-177.8	0	0	0	0	108.7	I165 L166 V171 V240 A250 L252	I165-V238 HydrophobicContact CG2-CG2 3.42Å; I165-V238 VanDerWaalsContact CG2-CG2 3.42Å; L166-V238 HydrophobicContact CD2-CG2 4.48Å; V171-V238 HydrophobicContact CB-CG1 4.37Å; V171-V238 HydrophobicContact CG1-CB 4.18Å; V171-V238 HydrophobicContact CG1-CG1 3.96Å; V238-V240 PolarHBondContact O-N 3.25Å; V238-A250 HydrophobicContact CG1-CB 3.76Å; V238-L252 HydrophobicContact CG2-CD1 4.27Å
239	F	96.2	Very high	91.9	Very high	19 Å²	19	39.9 Å²	39.9	8%	0.083	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	123.3	-172.2	-53.2	-87.1	0	0	0	111.5	L197 M200 Y201 W235 A250 V251 L253	L197-F239 HydrophobicContact CD2-CE2 4Å; L197-F239 HydrophobicContact CD2-CZ 3.79Å; M200-F239 HydrophobicContact CB-CD1 3.73Å; M200-F239 HydrophobicContact CB-CD2 4Å; M200-F239 HydrophobicContact CB-CE1 3.57Å; M200-F239 HydrophobicContact CB-CE2 3.87Å; M200-F239 HydrophobicContact CB-CG 3.94Å; M200-F239 HydrophobicContact CB-CZ 3.66Å; M200-F239 HydrophobicContact CE-CB 3.47Å; M200-F239 VanDerWaalsContact CE-CB 3.47Å; M200-F239 HydrophobicContact CE-CD1 4.36Å; M200-F239 HydrophobicContact CE-CD2 3.95Å; M200-F239 HydrophobicContact CE-CG 3.68Å; M200-F239 HydrophobicContact CG-CD2 4.14Å; M200-F239 HydrophobicContact CG-CE2 4.17Å; M200-F239 HydrophobicContact CG-CG 4.4Å; M200-F239 HydrophobicContact CG-CZ 4.43Å; Y201-F239 AromaticContact CD1-CE1 3.77Å; Y201-F239 HydrophobicContact CD1-CE1 3.77Å; Y201-F239 HydrophobicContact CD2-CE1 4.05Å; Y201-F239 HydrophobicContact CD2-CZ 4.16Å; Y201-F239 AromaticContact CE1-CE1 3.56Å; Y201-F239 HydrophobicContact CE1-CE1 3.56Å; Y201-F239 HydrophobicContact CE1-CZ 4.2Å; Y201-F239 AromaticContact CE2-CE1 3.87Å; Y201-F239 HydrophobicContact CE2-CE1 3.87Å; Y201-F239 AromaticContact CE2-CZ 3.74Å; Y201-F239 HydrophobicContact CE2-CZ 3.74Å; Y201-F239 AromaticContact CG-CE1 3.98Å; Y201-F239 HydrophobicContact CG-CE1 3.98Å; Y201-F239 AromaticContact CZ-CE1 3.6Å; Y201-F239 AromaticContact CZ-CZ 3.74Å; W235-F239 AromaticContact CD1-CE2 3.98Å; W235-F239 AromaticContact CD1-CZ 3.99Å; F239-A250 CarbonylContact O-C 3.52Å; F239-A250 WeakPolarHBondContact O-CA 3.38Å; F239-V251 HydrophobicContact CB-CB 4.32Å; F239-V251 PolarHBondContact N-O 3.12Å; F239-V251 PolarHBondContact O-N 2.89Å; F239-L253 HydrophobicContact CE2-CD1 4.36Å
240	V	96.4	Very high	93.1	Very high	64 Å²	64	39.5 Å²	39.5	39%	0.388	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	111.8	171.1	179.8	0	0	0	0	109.1	V171 L174 V238 K248 V249	V171-V240 HydrophobicContact CG1-CG2 3.62Å; L174-V240 HydrophobicContact CD1-CG1 3.93Å; L174-V240 HydrophobicContact CD1-CG2 3.88Å; V238-V240 PolarHBondContact O-N 3.25Å; V240-K248 HydrophobicContact CG1-CB 4.13Å; V240-K248 HydrophobicContact CG1-CD 4.27Å; V240-V249 WeakPolarHBondContact CA-O 3.44Å
241	V	95.3	Very high	94	Very high	10 Å²	10	37.5 Å²	37.5	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.7	178.6	-177.4	0	0	0	0	109.7	M200 K248 V249 V251 P416 L419	M200-V241 HydrophobicContact CE-CG2 3.76Å; V241-K248 WeakPolarHBondContact O-CA 3.39Å; V241-V249 HydrophobicContact CB-CG2 4.31Å; V241-V249 PolarHBondContact N-O 2.95Å; V241-V249 PolarHBondContact O-N 3.44Å; V241-V251 HydrophobicContact CB-CG2 4.32Å; V241-V251 HydrophobicContact CG2-CG2 3.77Å; V241-P416 HydrophobicContact CG1-CB 3.87Å; V241-P416 HydrophobicContact CG1-CG 3.78Å; V241-L419 HydrophobicContact CB-CD1 3.77Å; V241-L419 HydrophobicContact CG1-CD1 3.66Å; V241-L419 HydrophobicContact CG2-CD1 4.1Å
242	E	94.8	Very high	94.6	Very high	111 Å²	111	37.6 Å²	37.6	52%	0.519	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.1	171.2	-163.7	167.5	138.8	0	0	109.1	K248	E242-K248 HydrophobicContact CB-CG 4.41Å; E242-K248 HydrophobicContact CG-CG 4.21Å; E242-K248 WeakPolarHBondContact OE2-CE 3.45Å; E242-K248 IonicContact OE2-NZ 3.59Å; E242-K248 PolarHBondContact OE2-NZ 3.11Å
243	K	93.3	Very high	94.9	Very high	31 Å²	31	37.6 Å²	37.6	14%	0.135	21%	0.21	C	C	.	.			trans	-81.8	161.9	-178.4	-69.9	-167.2	61.5	171.1	0	111.5	D245 G246 N247 V249 P416 L419	K243-D245 WeakPolarHBondContact CB-OD1 3.4Å; K243-D245 PolarHBondContact O-N 3.46Å; K243-G246 PolarHBondContact O-N 2.94Å; K243-N247 WeakPolarHBondContact CB-O 3.38Å; K243-N247 PolarHBondContact N-O 2.95Å; K243-V249 HydrophobicContact CD-CG1 3.69Å; K243-V249 HydrophobicContact CD-CG2 4Å; K243-V249 HydrophobicContact CG-CG1 4.17Å; K243-V249 HydrophobicContact CG-CG2 3.93Å; K243-P416 VanDerWaalsContact CE-O 3.27Å; K243-P416 WeakPolarHBondContact CE-O 3.48Å; K243-P416 WeakPolarHBondContact CG-O 3.39Å; K243-L419 HydrophobicContact CD-CB 4.47Å; K243-L419 PolarHBondContact NZ-O 3.49Å
244	P	91.4	Very high	94.9	Very high	103 Å²	103	36.7 Å²	36.7	67%	0.669	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-10.9	-179.1	-24.1	34.6	0	0	0	115.9	P416 D417	P244-P416 WeakPolarHBondContact CD-O 3.48Å; P244-D417 HydrophobicContact CG-CB 3.99Å
245	D	89.6	Confident	94.9	Very high	94 Å²	94	36.7 Å²	36.7	50%	0.503	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	3	172.8	64.3	-10.4	0	0	0	113.2	K243 N247	K243-D245 WeakPolarHBondContact CB-OD1 3.4Å; K243-D245 PolarHBondContact O-N 3.46Å; D245-N247 VanDerWaalsContact C-N 3.29Å; D245-N247 PolarHBondContact O-N 2.83Å; D245-N247 WeakPolarHBondContact OD1-CB 3.14Å; D245-N247 PolarHBondContact OD1-N 3.41Å; D245-N247 VanDerWaalsContact OD1-N 3.09Å; D245-N247 PolarHBondContact OD2-ND2 3.44Å
246	G	88.6	Confident	94.5	Very high	46 Å²	46	36.2 Å²	36.2	47%	0.474	20%	0.204	S	C	.	.	S	Bend	trans	80.9	-0	-176.8	0	0	0	0	0	114.6	K243	K243-G246 PolarHBondContact O-N 2.94Å
247	N	92.3	Very high	93.8	Very high	79 Å²	79	35 Å²	35	42%	0.422	20%	0.195	S	C	.	.			trans	-81.5	137.1	178.2	-70.6	-54.5	0	0	0	111	K243 D245	K243-N247 WeakPolarHBondContact CB-O 3.38Å; K243-N247 PolarHBondContact N-O 2.95Å; D245-N247 VanDerWaalsContact C-N 3.29Å; D245-N247 PolarHBondContact O-N 2.83Å; D245-N247 WeakPolarHBondContact OD1-CB 3.14Å; D245-N247 PolarHBondContact OD1-N 3.41Å; D245-N247 VanDerWaalsContact OD1-N 3.09Å; D245-N247 PolarHBondContact OD2-ND2 3.44Å
248	K	95.8	Very high	92.8	Very high	108 Å²	108	32.8 Å²	32.8	47%	0.47	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.8	173.7	-62.1	-167.9	-175	-139.7	0	110.3	L174 V240 V241 E242	L174-K248 HydrophobicContact CD2-CB 4.29Å; V240-K248 HydrophobicContact CG1-CB 4.13Å; V240-K248 HydrophobicContact CG1-CD 4.27Å; V241-K248 WeakPolarHBondContact O-CA 3.39Å; E242-K248 HydrophobicContact CB-CG 4.41Å; E242-K248 HydrophobicContact CG-CG 4.21Å; E242-K248 WeakPolarHBondContact OE2-CE 3.45Å; E242-K248 IonicContact OE2-NZ 3.59Å; E242-K248 PolarHBondContact OE2-NZ 3.11Å
249	V	96.8	Very high	91.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.6	176.7	-58.7	0	0	0	0	109.7	N175 V177 V240 V241 K243 V251 L419 E421	N175-V249 HydrophobicContact CB-CG1 4.48Å; N175-V249 WeakPolarHBondContact O-CA 3.07Å; V177-V249 HydrophobicContact CG2-CB 4.1Å; V177-V249 HydrophobicContact CG2-CG2 3.93Å; V240-V249 WeakPolarHBondContact CA-O 3.44Å; V241-V249 HydrophobicContact CB-CG2 4.31Å; V241-V249 PolarHBondContact N-O 2.95Å; V241-V249 PolarHBondContact O-N 3.44Å; K243-V249 HydrophobicContact CD-CG1 3.69Å; K243-V249 HydrophobicContact CD-CG2 4Å; K243-V249 HydrophobicContact CG-CG1 4.17Å; K243-V249 HydrophobicContact CG-CG2 3.93Å; V249-V251 HydrophobicContact CG2-CG2 4.42Å; V249-L419 HydrophobicContact CG2-CD1 3.88Å; V249-E421 HydrophobicContact CG1-CG 3.76Å
250	A	97.6	Very high	90.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	146.6	166.6	0	0	0	0	0	109.5	V171 L174 N175 L176 V177 V238 F239 C431	V171-A250 HydrophobicContact CB-CB 4.48Å; V171-A250 HydrophobicContact CG1-CB 4.34Å; L174-A250 HydrophobicContact CB-CB 4.29Å; N175-A250 PolarHBondContact O-N 3.43Å; L176-A250 HydrophobicContact CD1-CB 3.68Å; V177-A250 WeakPolarHBondContact CB-O 3.35Å; V177-A250 PolarHBondContact N-O 2.92Å; V238-A250 HydrophobicContact CG1-CB 3.76Å; F239-A250 CarbonylContact O-C 3.52Å; F239-A250 WeakPolarHBondContact O-CA 3.38Å; A250-C431 WeakPolarHBondContact CB-SG 3.15Å
251	V	97.7	Very high	88.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120	175.5	-171.7	0	0	0	0	109.7	V177 M200 F239 V241 V249 L419	V177-V251 HydrophobicContact CB-CG1 4.44Å; V177-V251 HydrophobicContact CB-CG2 4.21Å; V177-V251 HydrophobicContact CG1-CG1 4.4Å; V177-V251 WeakPolarHBondContact O-CA 3.2Å; M200-V251 HydrophobicContact CE-CB 3.85Å; M200-V251 HydrophobicContact CE-CG1 3.93Å; M200-V251 HydrophobicContact CE-CG2 4.03Å; F239-V251 HydrophobicContact CB-CB 4.32Å; F239-V251 PolarHBondContact N-O 3.12Å; F239-V251 PolarHBondContact O-N 2.89Å; V241-V251 HydrophobicContact CB-CG2 4.32Å; V241-V251 HydrophobicContact CG2-CG2 3.77Å; V249-V251 HydrophobicContact CG2-CG2 4.42Å; V251-L419 HydrophobicContact CG2-CD1 3.81Å; V251-L419 HydrophobicContact CG2-CD2 4.19Å
252	L	97.7	Very high	87.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127	178.4	-175.1	73.4	0	0	0	110.2	I165 L166 L176 V177 V179 V234 V238 V254 L434	I165-L252 HydrophobicContact CG2-CD1 4.44Å; L166-L252 HydrophobicContact CD2-CD1 4.42Å; L166-L252 HydrophobicContact CD2-CD2 4.34Å; L176-L252 HydrophobicContact CD1-CB 3.93Å; V177-L252 PolarHBondContact O-N 3.04Å; V179-L252 PolarHBondContact N-O 3.41Å; V234-L252 HydrophobicContact CB-CD1 4.01Å; V234-L252 HydrophobicContact CB-CG 4.45Å; V234-L252 HydrophobicContact CG1-CD1 4.4Å; V234-L252 HydrophobicContact CG1-CD2 4.22Å; V234-L252 HydrophobicContact CG1-CG 4.39Å; V234-L252 HydrophobicContact CG2-CD1 4.46Å; V238-L252 HydrophobicContact CG2-CD1 4.27Å; L252-V254 HydrophobicContact CD2-CG2 4.32Å; L252-V254 HydrophobicContact CG-CG2 4.3Å; L252-L434 HydrophobicContact CD2-CD2 4.31Å
253	L	97.4	Very high	86.4	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	134.7	173.8	-58.3	-174.1	0	0	0	110.5	V179 L193 M196 L197 M200 V234 W235 F239 L414	V179-L253 HydrophobicContact CB-CD2 3.94Å; V179-L253 HydrophobicContact CG2-CD2 4.44Å; L193-L253 HydrophobicContact CD2-CB 4.17Å; M196-L253 HydrophobicContact CB-CD1 3.77Å; M196-L253 HydrophobicContact CB-CD2 4.45Å; M196-L253 HydrophobicContact SD-CD2 4.4Å; L197-L253 HydrophobicContact CD2-CD1 3.76Å; L197-L253 HydrophobicContact CG-CD1 4.02Å; M200-L253 HydrophobicContact CG-CD1 4.35Å; V234-L253 WeakPolarHBondContact CA-O 3.49Å; W235-L253 PolarHBondContact N-O 2.95Å; W235-L253 VanDerWaalsContact N-O 3.15Å; F239-L253 HydrophobicContact CE2-CD1 4.36Å; L253-L414 HydrophobicContact CD2-CD2 4.16Å
254	V	95.7	Very high	85.5	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118	-172.5	-168.8	0	0	0	0	111	V178 V179 V181 I232 Q233 V234 L252	V178-V254 HydrophobicContact CG1-CG2 3.66Å; V179-V254 PolarHBondContact O-N 3.09Å; V181-V254 PolarHBondContact N-O 3.06Å; V181-V254 VanDerWaalsContact N-O 3.16Å; I232-V254 HydrophobicContact CG2-CG1 3.4Å; Q233-V254 WeakPolarHBondContact O-CA 3.26Å; V234-V254 HydrophobicContact CG1-CG1 4.22Å; V234-V254 HydrophobicContact CG1-CG2 4.11Å; L252-V254 HydrophobicContact CD2-CG2 4.32Å; L252-V254 HydrophobicContact CG-CG2 4.3Å
255	D	94.3	Very high	84.8	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	140.2	166.4	-164.8	22.5	0	0	0	110	S190 L193 F219 T229 Q233	S190-D255 WeakPolarHBondContact CB-OD2 3.21Å; S190-D255 PolarHBondContact OG-OD2 2.76Å; L193-D255 VanDerWaalsContact CD1-CA 3.5Å; L193-D255 HydrophobicContact CD1-CB 3.43Å; L193-D255 VanDerWaalsContact CD1-CB 3.43Å; F219-D255 HydrophobicContact CD1-CB 3.7Å; F219-D255 HydrophobicContact CE1-CB 3.85Å; F219-D255 HydrophobicContact CG-CB 4.32Å; T229-D255 HydrophobicContact CG2-CB 4.33Å; T229-D255 WeakPolarHBondContact CG2-OD2 3.43Å; T229-D255 PolarHBondContact OG1-OD2 3.31Å; Q233-D255 PolarHBondContact N-O 3.37Å; Q233-D255 PolarHBondContact O-N 2.92Å; Q233-D255 VanDerWaalsContact O-O 3.11Å
256	T	89.2	Confident	84.2	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	156.9	177	83.9	0	0	0	0	110.6	A182 K189 V272	A182-T256 WeakPolarHBondContact CA-OG1 3.43Å; A182-T256 HydrophobicContact CB-CG2 4.03Å; K189-T256 VanDerWaalsContact CE-O 3.3Å; K189-T256 WeakPolarHBondContact CE-O 3.34Å; K189-T256 WeakPolarHBondContact CE-OG1 3.34Å; K189-T256 PolarHBondContact NZ-O 3.34Å; T256-V272 HydrophobicContact CG2-CG1 4.45Å
257	Q	80.5	Confident	83.6	Confident	7 Å²	7	38.4 Å²	38.4	3%	0.033	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-51.8	149.3	161	-178.3	167.7	-14.7	0	0	111.2	K189 T229 G231 D261 S264 V272	K189-Q257 PolarHBondContact NZ-O 3.49Å; T229-Q257 WeakPolarHBondContact O-CA 3.42Å; T229-Q257 WeakPolarHBondContact O-CG 3.49Å; G231-Q257 WeakPolarHBondContact O-CB 3.35Å; G231-Q257 PolarHBondContact O-N 3.32Å; Q257-D261 PolarHBondContact NE2-OD2 3.18Å; Q257-S264 PolarHBondContact NE2-OG 2.77Å; Q257-V272 HydrophobicContact CB-CG1 4.26Å; Q257-V272 HydrophobicContact CB-CG2 4.47Å
258	G	73.4	Confident	83	Confident	7 Å²	7	35.2 Å²	35.2	7%	0.072	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-73	124.4	171.2	0	0	0	0	0	111.1	G183	G183-G258 WeakPolarHBondContact O-CA 3.46Å
259	A	69.6	Low	82.2	Confident	11 Å²	11	30.5 Å²	30.5	9%	0.091	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-62.3	148.8	171.8	0	0	0	0	0	110.9	G183 A184 F185 D261	G183-A259 PolarHBondContact O-N 3.46Å; A184-A259 WeakPolarHBondContact CA-O 3.5Å; F185-A259 PolarHBondContact N-O 2.84Å; F185-A259 VanDerWaalsContact N-O 3.11Å; A259-D261 PolarHBondContact O-N 2.83Å
260	F	65.7	Low	81.4	Confident	81 Å²	81	31.5 Å²	31.5	36%	0.355	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	34.2	173.3	-40.3	-66	0	0	0	115.6	F185 S269 H298	F185-F260 WeakPolarHBondContact CD1-O 3.36Å; F185-F260 WeakPolarHBondContact CE1-O 3.4Å; F260-S269 PolarHBondContact N-OG 3.17Å; F260-H298 AromaticContact CE1-NE2 3.66Å; F260-H298 AromaticContact CE2-CE1 3.61Å; F260-H298 AromaticContact CE2-ND1 3.7Å; F260-H298 AromaticContact CE2-NE2 3.99Å; F260-H298 AromaticContact CZ-CD2 3.45Å; F260-H298 VanDerWaalsContact CZ-CD2 3.45Å; F260-H298 WeakPolarHBondContact CZ-CD2 3.44Å; F260-H298 AromaticContact CZ-CE1 3.36Å; F260-H298 WeakPolarHBondContact CZ-CE1 3.44Å; F260-H298 AromaticContact CZ-CG 3.65Å; F260-H298 AromaticContact CZ-ND1 3.59Å; F260-H298 AromaticContact CZ-NE2 3.25Å; F260-H298 VanDerWaalsContact CZ-NE2 3.25Å; F260-H298 WeakPolarHBondContact CZ-NE2 3.29Å
261	D	70.3	Confident	80.6	Confident	12 Å²	12	31.5 Å²	31.5	6%	0.064	18%	0.177	C	C	.	.			trans	-71.1	168.5	165.2	78	52	0	0	0	112.2	F185 R227 Q257 A259 Q263 S264	F185-D261 HydrophobicContact CB-CB 4.13Å; F185-D261 HydrophobicContact CD1-CB 4.08Å; F185-D261 HydrophobicContact CD2-CB 4.19Å; F185-D261 HydrophobicContact CG-CB 3.88Å; R227-D261 HydrophobicContact CB-CB 4.46Å; R227-D261 WeakPolarHBondContact CD-OD2 3.24Å; R227-D261 IonicContact CZ-OD1 2.75Å; R227-D261 IonicContact CZ-OD2 2.62Å; R227-D261 IonicContact NE-OD2 2.7Å; R227-D261 IonicContact NH1-OD1 3.18Å; R227-D261 PolarHBondContact NH1-OD1 3.23Å; R227-D261 IonicContact NH1-OD2 3.77Å; R227-D261 PolarHBondContact NH1-OD2 2.83Å; Q257-D261 PolarHBondContact NE2-OD2 3.18Å; A259-D261 PolarHBondContact O-N 2.83Å; D261-Q263 VanDerWaalsContact C-N 3.27Å; D261-Q263 PolarHBondContact O-N 3.47Å; D261-Q263 WeakPolarHBondContact OD1-CA 3.27Å; D261-Q263 PolarHBondContact OD1-N 2.73Å; D261-S264 PolarHBondContact OD1-N 3.45Å
262	S	67.7	Low	80.1	Confident	112 Å²	112	31.7 Å²	31.7	78%	0.783	18%	0.179	S	C	*	.	S	Bend	trans	-81	4.4	-174.6	56.6	0	0	0	0	115.5
263	Q	69.7	Low	79.5	Confident	124 Å²	124	32.5 Å²	32.5	58%	0.579	18%	0.182	S	C	*	.	S	Bend	trans	-127.3	-10.4	-173.3	-68.9	175.3	-13.9	0	0	113.1	R227 D261	R227-Q263 VanDerWaalsContact CZ-CB 3.43Å; D261-Q263 VanDerWaalsContact C-N 3.27Å; D261-Q263 PolarHBondContact O-N 3.47Å; D261-Q263 WeakPolarHBondContact OD1-CA 3.27Å; D261-Q263 PolarHBondContact OD1-N 2.73Å
264	S	74.4	Confident	78.9	Confident	19 Å²	19	32.5 Å²	32.5	13%	0.133	18%	0.182	C	C	.	.	S	Bend	trans	-118.3	147.1	176.6	-88.8	0	0	0	0	112.1	R227 Q257 D261	R227-S264 PolarHBondContact NH1-OG 2.75Å; Q257-S264 PolarHBondContact NE2-OG 2.77Å; D261-S264 PolarHBondContact OD1-N 3.45Å
265	T	77.1	Confident	78.5	Confident	78 Å²	78	32.4 Å²	32.4	48%	0.479	18%	0.181	S	C	.	.			trans	-75.9	169.8	-178.9	69	0	0	0	0	112.4	K267 D268 S269	T265-K267 VanDerWaalsContact C-N 3.26Å; T265-K267 PolarHBondContact O-N 2.76Å; T265-K267 WeakPolarHBondContact OG1-CB 3.36Å; T265-K267 PolarHBondContact OG1-N 2.8Å; T265-D268 WeakPolarHBondContact CB-OD2 3.49Å; T265-D268 PolarHBondContact N-OD2 2.92Å; T265-D268 PolarHBondContact O-N 3.43Å; T265-D268 PolarHBondContact OG1-N 3.06Å; T265-D268 PolarHBondContact OG1-OD1 2.88Å; T265-D268 PolarHBondContact OG1-OD2 2.81Å; T265-S269 PolarHBondContact O-N 2.92Å; T265-S269 PolarHBondContact O-OG 3.06Å; T265-S269 VanDerWaalsContact O-OG 3.12Å
266	I	76.4	Confident	78.3	Confident	126 Å²	126	32.4 Å²	32.4	65%	0.646	18%	0.181	S	C	*	.	H	α-helix	trans	-62.1	-37.4	170.2	-59.6	173.8	0	0	0	110.3	S269 A270	I266-S269 PolarHBondContact O-N 3.1Å; I266-A270 VanDerWaalsContact O-CB 3.26Å; I266-A270 WeakPolarHBondContact O-CB 3.3Å; I266-A270 PolarHBondContact O-N 3.3Å
267	K	76.7	Confident	78.4	Confident	37 Å²	37	32.4 Å²	32.4	16%	0.161	18%	0.182	C	C	.	.	H	α-helix	trans	-57.3	-49.7	172.2	177.7	-160.6	176	-170.1	0	110.4	T265 S269 A270 T271 G447 D448 L450	T265-K267 VanDerWaalsContact C-N 3.26Å; T265-K267 PolarHBondContact O-N 2.76Å; T265-K267 WeakPolarHBondContact OG1-CB 3.36Å; T265-K267 PolarHBondContact OG1-N 2.8Å; K267-S269 PolarHBondContact O-N 2.83Å; K267-A270 PolarHBondContact O-N 3.19Å; K267-T271 WeakPolarHBondContact O-CB 3.21Å; K267-T271 PolarHBondContact O-N 3.24Å; K267-T271 PolarHBondContact O-OG1 3.2Å; K267-G447 WeakPolarHBondContact CE-O 3.45Å; K267-G447 PolarHBondContact NZ-O 2.97Å; K267-D448 WeakPolarHBondContact CD-O 3.43Å; K267-D448 WeakPolarHBondContact CE-O 3.38Å; K267-D448 PolarHBondContact NZ-O 2.67Å; K267-L450 HydrophobicContact CG-CD2 3.89Å; K267-L450 HydrophobicContact CG-CG 4.12Å
268	D	79.1	Confident	78.7	Confident	11 Å²	11	32.3 Å²	32.3	6%	0.059	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-46.1	-177.5	-57.5	-30.3	0	0	0	111.8	F155 T265 A270 T271 V272	F155-D268 HydrophobicContact CE2-CB 4.1Å; F155-D268 WeakPolarHBondContact CE2-OD1 3.27Å; F155-D268 HydrophobicContact CZ-CB 3.73Å; T265-D268 WeakPolarHBondContact CB-OD2 3.49Å; T265-D268 PolarHBondContact N-OD2 2.92Å; T265-D268 PolarHBondContact O-N 3.43Å; T265-D268 PolarHBondContact OG1-N 3.06Å; T265-D268 PolarHBondContact OG1-OD1 2.88Å; T265-D268 PolarHBondContact OG1-OD2 2.81Å; D268-A270 VanDerWaalsContact C-N 3.33Å; D268-A270 PolarHBondContact O-N 3.35Å; D268-T271 PolarHBondContact O-N 3.02Å; D268-V272 WeakPolarHBondContact O-CG2 3.33Å; D268-V272 PolarHBondContact O-N 3.42Å
269	S	79.5	Confident	79.6	Confident	9 Å²	9	32 Å²	32	6%	0.063	18%	0.178	C	C	.	.	H	α-helix	trans	-59.2	-44.4	175.8	-61.2	0	0	0	0	111.6	F260 T265 I266 K267 F273	F260-S269 PolarHBondContact N-OG 3.17Å; T265-S269 PolarHBondContact O-N 2.92Å; T265-S269 PolarHBondContact O-OG 3.06Å; T265-S269 VanDerWaalsContact O-OG 3.12Å; I266-S269 PolarHBondContact O-N 3.1Å; K267-S269 PolarHBondContact O-N 2.83Å; S269-F273 WeakPolarHBondContact O-CB 3.41Å; S269-F273 PolarHBondContact O-N 2.92Å
270	A	80	Confident	80.8	Confident	21 Å²	21	31.7 Å²	31.7	17%	0.174	18%	0.175	C	C	.	.	H	α-helix	trans	-68.3	-41.3	178.3	0	0	0	0	0	112.5	I266 K267 D268 F273 A274 L301 L450	I266-A270 VanDerWaalsContact O-CB 3.26Å; I266-A270 WeakPolarHBondContact O-CB 3.3Å; I266-A270 PolarHBondContact O-N 3.3Å; K267-A270 PolarHBondContact O-N 3.19Å; D268-A270 VanDerWaalsContact C-N 3.33Å; D268-A270 PolarHBondContact O-N 3.35Å; A270-F273 PolarHBondContact O-N 2.89Å; A270-A274 WeakPolarHBondContact O-CB 3.12Å; A270-A274 PolarHBondContact O-N 3.25Å; A270-L301 HydrophobicContact CB-CD2 3.89Å; A270-L450 HydrophobicContact CB-CD1 4.36Å; A270-L450 HydrophobicContact CB-CD2 4.21Å
271	T	81.6	Confident	82.3	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-49	176.6	-66.2	0	0	0	0	111.7	F155 K267 D268 F273 A274 L275 Y445	F155-T271 HydrophobicContact CD1-CG2 4.36Å; F155-T271 HydrophobicContact CD2-CG2 3.6Å; F155-T271 HydrophobicContact CE1-CG2 4.43Å; F155-T271 HydrophobicContact CE2-CG2 3.7Å; F155-T271 HydrophobicContact CG-CG2 3.95Å; F155-T271 HydrophobicContact CZ-CG2 4.1Å; K267-T271 WeakPolarHBondContact O-CB 3.21Å; K267-T271 PolarHBondContact O-N 3.24Å; K267-T271 PolarHBondContact O-OG1 3.2Å; D268-T271 PolarHBondContact O-N 3.02Å; T271-F273 PolarHBondContact O-N 3.1Å; T271-A274 PolarHBondContact O-N 3.42Å; T271-L275 HydrophobicContact CG2-CD1 3.84Å; T271-L275 HydrophobicContact CG2-CG 4.41Å; T271-L275 WeakPolarHBondContact O-CB 3.26Å; T271-L275 VanDerWaalsContact O-CG 3.3Å; T271-L275 WeakPolarHBondContact O-CG 3.38Å; T271-L275 PolarHBondContact O-N 2.89Å; T271-Y445 HydrophobicContact CG2-CD1 3.6Å; T271-Y445 HydrophobicContact CG2-CE1 4.38Å; T271-Y445 HydrophobicContact CG2-CG 3.73Å; T271-Y445 VanDerWaalsContact OG1-CD1 3.27Å; T271-Y445 WeakPolarHBondContact OG1-CD1 3.5Å
272	V	85.8	Confident	83.6	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.024	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-46.7	178.1	169.5	0	0	0	0	110.9	F155 I232 T256 Q257 D268 A274 S276	F155-V272 HydrophobicContact CD1-CG2 4.42Å; F155-V272 HydrophobicContact CE1-CG2 3.46Å; F155-V272 VanDerWaalsContact CE1-CG2 3.46Å; F155-V272 HydrophobicContact CZ-CG2 3.93Å; I232-V272 HydrophobicContact CG1-CG1 4.09Å; T256-V272 HydrophobicContact CG2-CG1 4.45Å; Q257-V272 HydrophobicContact CB-CG1 4.26Å; Q257-V272 HydrophobicContact CB-CG2 4.47Å; D268-V272 WeakPolarHBondContact O-CG2 3.33Å; D268-V272 PolarHBondContact O-N 3.42Å; V272-A274 PolarHBondContact O-N 3.01Å; V272-S276 WeakPolarHBondContact O-CB 3.33Å; V272-S276 PolarHBondContact O-N 3.12Å
273	F	85.1	Confident	84.9	Confident	19 Å²	19	22.5 Å²	22.5	8%	0.083	12%	0.121	C	C	.	.	H	α-helix	trans	-66.1	-36.5	178.4	-163.9	-74.8	0	0	0	112.4	A182 S269 A270 T271 S276 T277 Y285 L299 F302	A182-F273 HydrophobicContact CB-CD2 3.69Å; A182-F273 HydrophobicContact CB-CE2 3.75Å; S269-F273 WeakPolarHBondContact O-CB 3.41Å; S269-F273 PolarHBondContact O-N 2.92Å; A270-F273 PolarHBondContact O-N 2.89Å; T271-F273 PolarHBondContact O-N 3.1Å; F273-S276 PolarHBondContact O-OG 2.58Å; F273-S276 VanDerWaalsContact O-OG 3.06Å; F273-T277 WeakPolarHBondContact CD1-OG1 3.29Å; F273-T277 VanDerWaalsContact CE1-OG1 3.28Å; F273-T277 WeakPolarHBondContact CE1-OG1 3.44Å; F273-T277 VanDerWaalsContact O-CB 3.28Å; F273-T277 WeakPolarHBondContact O-CB 3.45Å; F273-T277 PolarHBondContact O-N 2.91Å; F273-T277 PolarHBondContact O-OG1 3.01Å; F273-Y285 AromaticContact CE2-CD2 3.67Å; F273-Y285 HydrophobicContact CE2-CD2 3.67Å; F273-Y285 AromaticContact CE2-CE2 3.72Å; F273-Y285 HydrophobicContact CE2-CE2 3.72Å; F273-Y285 HydrophobicContact CE2-CG 4.21Å; F273-Y285 HydrophobicContact CZ-CD1 4.35Å; F273-Y285 HydrophobicContact CZ-CD2 4.07Å; F273-Y285 HydrophobicContact CZ-CE1 4.5Å; F273-Y285 HydrophobicContact CZ-CE2 4.23Å; F273-Y285 HydrophobicContact CZ-CG 4.14Å; F273-L299 HydrophobicContact CE1-CD2 3.65Å; F273-L299 HydrophobicContact CZ-CD2 3.68Å; F273-F302 HydrophobicContact CB-CZ 4.45Å; F273-F302 HydrophobicContact CD1-CD2 4.16Å; F273-F302 AromaticContact CD1-CE2 3.3Å; F273-F302 HydrophobicContact CD1-CE2 3.3Å; F273-F302 AromaticContact CD1-CZ 3.62Å; F273-F302 HydrophobicContact CD1-CZ 3.62Å; F273-F302 HydrophobicContact CE1-CD2 4.13Å; F273-F302 AromaticContact CE1-CE2 3.63Å; F273-F302 HydrophobicContact CE1-CE2 3.63Å; F273-F302 HydrophobicContact CE1-CZ 4.38Å; F273-F302 HydrophobicContact CG-CE2 4.35Å; F273-F302 HydrophobicContact CG-CZ 4.44Å
274	A	85.1	Confident	86.2	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.6	-51.9	177.1	0	0	0	0	0	111.4	A270 T271 V272 S276 T277 M278 F302 Y445	A270-A274 WeakPolarHBondContact O-CB 3.12Å; A270-A274 PolarHBondContact O-N 3.25Å; T271-A274 PolarHBondContact O-N 3.42Å; V272-A274 PolarHBondContact O-N 3.01Å; A274-S276 VanDerWaalsContact C-N 3.3Å; A274-S276 PolarHBondContact O-N 3.05Å; A274-T277 PolarHBondContact O-N 3.43Å; A274-M278 HydrophobicContact CB-CE 4.5Å; A274-M278 WeakPolarHBondContact O-CB 3.27Å; A274-M278 WeakPolarHBondContact O-CG 2.9Å; A274-M278 PolarHBondContact O-N 3.18Å; A274-F302 HydrophobicContact CB-CD1 4.36Å; A274-F302 HydrophobicContact CB-CE1 3.47Å; A274-F302 VanDerWaalsContact CB-CE1 3.47Å; A274-F302 HydrophobicContact CB-CZ 4.16Å; A274-Y445 HydrophobicContact CB-CE1 4.11Å; A274-Y445 HydrophobicContact CB-CE2 4.49Å; A274-Y445 WeakPolarHBondContact CB-OH 3.38Å
275	L	87.4	Confident	87.2	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.3	-43.2	178.2	-69.2	171.5	0	0	0	110.5	I232 T271 M278 T279 I442 Y445	I232-L275 HydrophobicContact CD1-CB 3.83Å; I232-L275 HydrophobicContact CD1-CD1 4.49Å; T271-L275 HydrophobicContact CG2-CD1 3.84Å; T271-L275 HydrophobicContact CG2-CG 4.41Å; T271-L275 WeakPolarHBondContact O-CB 3.26Å; T271-L275 VanDerWaalsContact O-CG 3.3Å; T271-L275 WeakPolarHBondContact O-CG 3.38Å; T271-L275 PolarHBondContact O-N 2.89Å; L275-M278 HydrophobicContact CD2-CE 4.2Å; L275-T279 WeakPolarHBondContact O-CB 3.44Å; L275-T279 VanDerWaalsContact O-CG2 3.31Å; L275-T279 WeakPolarHBondContact O-CG2 3.49Å; L275-T279 PolarHBondContact O-N 2.93Å; L275-T279 VanDerWaalsContact O-N 3.09Å; L275-T279 PolarHBondContact O-OG1 2.6Å; L275-I442 HydrophobicContact CD1-CD1 3.86Å; L275-Y445 HydrophobicContact CD2-CD2 3.97Å; L275-Y445 HydrophobicContact CD2-CE2 4.19Å; L275-Y445 HydrophobicContact CG-CD2 4.37Å
276	S	90.6	Very high	88	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.2	-39.5	177.4	81.6	0	0	0	0	112.7	S180 V272 F273 A274 T279 S280 Q283	S180-S276 WeakPolarHBondContact OG-CB 3.5Å; V272-S276 WeakPolarHBondContact O-CB 3.33Å; V272-S276 PolarHBondContact O-N 3.12Å; F273-S276 PolarHBondContact O-OG 2.58Å; F273-S276 VanDerWaalsContact O-OG 3.06Å; A274-S276 VanDerWaalsContact C-N 3.3Å; A274-S276 PolarHBondContact O-N 3.05Å; S276-T279 PolarHBondContact O-OG1 3.07Å; S276-S280 WeakPolarHBondContact O-CB 3.4Å; S276-S280 PolarHBondContact O-N 3.28Å; S276-S280 PolarHBondContact O-OG 3.31Å; S276-Q283 VanDerWaalsContact C-OE1 3.25Å; S276-Q283 PolarHBondContact O-OE1 3.18Å; S276-Q283 PolarHBondContact OG-OE1 3.49Å
277	T	89.9	Confident	88.9	Confident	3 Å²	3	6.5 Å²	6.5	2%	0.018	4%	0.036	C	C	.	.	H	α-helix	trans	-73.2	-38.8	-179.9	-56.7	0	0	0	0	112.2	F273 A274 F318 F370	F273-T277 WeakPolarHBondContact CD1-OG1 3.29Å; F273-T277 VanDerWaalsContact CE1-OG1 3.28Å; F273-T277 WeakPolarHBondContact CE1-OG1 3.44Å; F273-T277 VanDerWaalsContact O-CB 3.28Å; F273-T277 WeakPolarHBondContact O-CB 3.45Å; F273-T277 PolarHBondContact O-N 2.91Å; F273-T277 PolarHBondContact O-OG1 3.01Å; A274-T277 PolarHBondContact O-N 3.43Å; T277-F318 HydrophobicContact CG2-CD1 4.05Å; T277-F318 HydrophobicContact CG2-CE1 4.04Å; T277-F318 HydrophobicContact CG2-CG 4.28Å; T277-F318 HydrophobicContact CG2-CZ 4.27Å; T277-F370 HydrophobicContact CG2-CE1 4.07Å; T277-F370 HydrophobicContact CG2-CZ 3.93Å
278	M	88.8	Confident	89.6	Confident	4 Å²	4	5.7 Å²	5.7	2%	0.02	4%	0.035	C	C	.	.	H	α-helix	trans	-69.3	-34	176.5	-69.8	-171.1	-63.1	0	0	112.7	A274 L275 F318 K422 Y441 Y445 M456	A274-M278 HydrophobicContact CB-CE 4.5Å; A274-M278 WeakPolarHBondContact O-CB 3.27Å; A274-M278 WeakPolarHBondContact O-CG 2.9Å; A274-M278 PolarHBondContact O-N 3.18Å; L275-M278 HydrophobicContact CD2-CE 4.2Å; M278-F318 HydrophobicContact CG-CE1 4.03Å; M278-K422 VanDerWaalsContact O-CE 3.23Å; M278-K422 WeakPolarHBondContact O-CE 3.27Å; M278-K422 PolarHBondContact O-NZ 3.05Å; M278-Y441 HydrophobicContact CB-CD2 4.29Å; M278-Y441 HydrophobicContact CB-CE2 3.89Å; M278-Y441 HydrophobicContact CE-CD1 3.9Å; M278-Y441 HydrophobicContact CE-CD2 4.28Å; M278-Y441 HydrophobicContact CE-CE1 4.35Å; M278-Y441 HydrophobicContact CE-CG 3.88Å; M278-Y441 HydrophobicContact SD-CD1 4.06Å; M278-Y441 HydrophobicContact SD-CE1 3.92Å; M278-Y441 HydrophobicContact SD-CG 4.49Å; M278-Y445 HydrophobicContact CE-CE2 3.73Å; M278-M456 HydrophobicContact SD-SD 4.48Å
279	T	91.8	Very high	90.2	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.006	5%	0.053	C	C	.	.	H	α-helix	trans	-88.9	-30.5	-178.4	57	0	0	0	0	113.4	L275 S276 K422 L434 F438 Y441	L275-T279 WeakPolarHBondContact O-CB 3.44Å; L275-T279 VanDerWaalsContact O-CG2 3.31Å; L275-T279 WeakPolarHBondContact O-CG2 3.49Å; L275-T279 PolarHBondContact O-N 2.93Å; L275-T279 VanDerWaalsContact O-N 3.09Å; L275-T279 PolarHBondContact O-OG1 2.6Å; S276-T279 PolarHBondContact O-OG1 3.07Å; T279-K422 WeakPolarHBondContact O-CD 3.47Å; T279-K422 VanDerWaalsContact O-CE 3.23Å; T279-K422 WeakPolarHBondContact O-CE 3.47Å; T279-L434 HydrophobicContact CG2-CD1 4.22Å; T279-F438 HydrophobicContact CG2-CD1 4.29Å; T279-F438 HydrophobicContact CG2-CD2 3.94Å; T279-F438 HydrophobicContact CG2-CE1 4.01Å; T279-F438 HydrophobicContact CG2-CE2 3.64Å; T279-F438 HydrophobicContact CG2-CG 4.25Å; T279-F438 HydrophobicContact CG2-CZ 3.68Å; T279-Y441 HydrophobicContact CG2-CD2 4.05Å; T279-Y441 HydrophobicContact CG2-CE2 4.32Å
280	S	95.3	Very high	90.9	Very high	4 Å²	4	11.6 Å²	11.6	3%	0.028	6%	0.063	C	C	.	.			trans	-72.1	152.5	178.7	60.3	0	0	0	0	114.4	V178 S276 Q283 K422	V178-S280 WeakPolarHBondContact O-CB 3.5Å; S276-S280 WeakPolarHBondContact O-CB 3.4Å; S276-S280 PolarHBondContact O-N 3.28Å; S276-S280 PolarHBondContact O-OG 3.31Å; S280-Q283 PolarHBondContact OG-OE1 2.75Å; S280-K422 WeakPolarHBondContact O-CD 3.42Å; S280-K422 WeakPolarHBondContact O-CE 3.18Å; S280-K422 PolarHBondContact O-NZ 3.36Å
281	S	96.1	Very high	91.6	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.007	6%	0.056	C	C	.	.	S	Bend	trans	-98.6	-27.2	164.8	62	0	0	0	0	111.7	V178 Q319 S320 V420	V178-S281 PolarHBondContact N-OG 3.24Å; V178-S281 VanDerWaalsContact N-OG 3.09Å; V178-S281 PolarHBondContact O-N 3.04Å; V178-S281 PolarHBondContact O-OG 2.95Å; S281-Q319 WeakPolarHBondContact O-CB 3.25Å; S281-S320 PolarHBondContact O-N 2.8Å; S281-V420 WeakPolarHBondContact CB-O 3.23Å; S281-V420 PolarHBondContact OG-O 2.95Å
282	V	96.9	Very high	92	Very high	9 Å²	9	15.7 Å²	15.7	6%	0.055	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	108.8	168.5	-173.7	0	0	0	0	108.9	V178 V179 S180 V284 S320 L413 V420	V178-V282 PolarHBondContact O-N 3.32Å; V179-V282 WeakPolarHBondContact CA-O 3.44Å; V179-V282 HydrophobicContact CG2-CB 4.34Å; S180-V282 PolarHBondContact N-O 2.66Å; V282-V284 HydrophobicContact CG1-CG2 4.44Å; V282-S320 WeakPolarHBondContact CA-O 3.45Å; V282-L413 HydrophobicContact CG1-CD2 3.93Å; V282-V420 HydrophobicContact CG2-CB 4.36Å
283	Q	95.8	Very high	92	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.009	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	109.8	170.8	-172.9	56.5	80.8	0	0	108.8	S180 A182 S276 S280 S320 L321 M322	S180-Q283 PolarHBondContact O-NE2 3.03Å; S180-Q283 VanDerWaalsContact O-NE2 3.1Å; S180-Q283 PolarHBondContact OG-NE2 3.18Å; S180-Q283 PolarHBondContact OG-OE1 2.74Å; A182-Q283 VanDerWaalsContact CB-NE2 3.31Å; S276-Q283 VanDerWaalsContact C-OE1 3.25Å; S276-Q283 PolarHBondContact O-OE1 3.18Å; S276-Q283 PolarHBondContact OG-OE1 3.49Å; S280-Q283 PolarHBondContact OG-OE1 2.75Å; Q283-S320 PolarHBondContact N-O 2.63Å; Q283-L321 HydrophobicContact CB-CD1 4.34Å; Q283-L321 HydrophobicContact CG-CD1 4.34Å; Q283-L321 WeakPolarHBondContact O-CA 3.36Å; Q283-M322 PolarHBondContact O-N 3.49Å
284	V	96.8	Very high	91.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.2	166.2	-176.3	0	0	0	0	107.6	S180 V181 A182 V282 M322 L324 L413	S180-V284 WeakPolarHBondContact O-CB 3.17Å; S180-V284 PolarHBondContact O-N 2.77Å; V181-V284 HydrophobicContact CG1-CB 4.44Å; V181-V284 HydrophobicContact CG1-CG1 4.36Å; V181-V284 HydrophobicContact CG2-CB 4.15Å; V181-V284 HydrophobicContact CG2-CG2 4.45Å; A182-V284 PolarHBondContact N-O 2.97Å; V282-V284 HydrophobicContact CG1-CG2 4.44Å; V284-M322 WeakPolarHBondContact CA-O 3.37Å; V284-L324 HydrophobicContact CG1-CB 3.7Å; V284-L324 HydrophobicContact CG1-CD2 3.98Å; V284-L413 HydrophobicContact CG2-CD1 4.17Å; V284-L413 HydrophobicContact CG2-CD2 3.83Å
285	Y	94.8	Very high	91.9	Very high	6 Å²	6	22.2 Å²	22.2	2%	0.024	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	100.1	174.5	-171.3	-167.6	0	0	0	108.3	A182 F273 L287 D295 L299 M322 F323 L324	A182-Y285 WeakPolarHBondContact O-CA 3.37Å; F273-Y285 AromaticContact CE2-CD2 3.67Å; F273-Y285 HydrophobicContact CE2-CD2 3.67Å; F273-Y285 AromaticContact CE2-CE2 3.72Å; F273-Y285 HydrophobicContact CE2-CE2 3.72Å; F273-Y285 HydrophobicContact CE2-CG 4.21Å; F273-Y285 HydrophobicContact CZ-CD1 4.35Å; F273-Y285 HydrophobicContact CZ-CD2 4.07Å; F273-Y285 HydrophobicContact CZ-CE1 4.5Å; F273-Y285 HydrophobicContact CZ-CE2 4.23Å; F273-Y285 HydrophobicContact CZ-CG 4.14Å; Y285-L287 HydrophobicContact CD1-CD1 4.4Å; Y285-L287 HydrophobicContact CD1-CG 4.5Å; Y285-L287 HydrophobicContact CD2-CD2 3.88Å; Y285-L287 HydrophobicContact CD2-CG 4.23Å; Y285-L287 HydrophobicContact CE1-CD1 4.33Å; Y285-L287 HydrophobicContact CE1-CD2 4.18Å; Y285-L287 HydrophobicContact CE2-CD2 3.43Å; Y285-L287 VanDerWaalsContact CE2-CD2 3.43Å; Y285-L287 HydrophobicContact CE2-CG 4.24Å; Y285-L287 HydrophobicContact CG-CD2 4.41Å; Y285-L287 HydrophobicContact CG-CG 4.36Å; Y285-L287 PolarHBondContact O-N 2.97Å; Y285-D295 HydrophobicContact CE1-CB 4.36Å; Y285-D295 WeakPolarHBondContact OH-CA 3.47Å; Y285-D295 PolarHBondContact OH-O 2.88Å; Y285-L299 HydrophobicContact CD1-CD1 4.19Å; Y285-L299 HydrophobicContact CD1-CD2 4.15Å; Y285-L299 HydrophobicContact CD1-CG 4.44Å; Y285-L299 HydrophobicContact CE1-CD1 3.98Å; Y285-L299 HydrophobicContact CE1-CD2 3.97Å; Y285-L299 HydrophobicContact CE1-CG 3.94Å; Y285-M322 PolarHBondContact N-O 3.3Å; Y285-F323 AromaticContact CD1-CD1 3.98Å; Y285-F323 HydrophobicContact CD1-CD1 3.98Å; Y285-F323 AromaticContact CD1-CE1 3.73Å; Y285-F323 HydrophobicContact CD1-CE1 3.73Å; Y285-F323 HydrophobicContact CE1-CE1 4.14Å; Y285-L324 PolarHBondContact O-N 3.39Å
286	N	94.9	Very high	91.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	101.4	-172.1	176.8	108	0	0	0	110.4	V181 A182 K187 K189 R326	V181-N286 HydrophobicContact CG1-CB 4.04Å; A182-N286 PolarHBondContact O-N 3.09Å; K187-N286 WeakPolarHBondContact CB-ND2 3.47Å; K187-N286 PolarHBondContact O-ND2 2.94Å; K189-N286 HydrophobicContact CD-CB 4.41Å; K189-N286 HydrophobicContact CG-CB 4.27Å; N286-R326 WeakPolarHBondContact OD1-CD 3.16Å; N286-R326 WeakPolarHBondContact OD1-CG 3.47Å; N286-R326 PolarHBondContact OD1-NH1 3.26Å
287	L	94.1	Very high	91.3	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	169.4	-177.7	-64.1	-178.2	0	0	0	112.2	Y285 I291 D295 F323 L324 I325 R326	Y285-L287 HydrophobicContact CD1-CD1 4.4Å; Y285-L287 HydrophobicContact CD1-CG 4.5Å; Y285-L287 HydrophobicContact CD2-CD2 3.88Å; Y285-L287 HydrophobicContact CD2-CG 4.23Å; Y285-L287 HydrophobicContact CE1-CD1 4.33Å; Y285-L287 HydrophobicContact CE1-CD2 4.18Å; Y285-L287 HydrophobicContact CE2-CD2 3.43Å; Y285-L287 VanDerWaalsContact CE2-CD2 3.43Å; Y285-L287 HydrophobicContact CE2-CG 4.24Å; Y285-L287 HydrophobicContact CG-CD2 4.41Å; Y285-L287 HydrophobicContact CG-CG 4.36Å; Y285-L287 PolarHBondContact O-N 2.97Å; L287-I291 HydrophobicContact CD1-CG1 4Å; L287-D295 HydrophobicContact CD1-CB 4.05Å; L287-D295 HydrophobicContact CD2-CB 4.25Å; L287-D295 WeakPolarHBondContact CD2-OD1 3.43Å; L287-F323 HydrophobicContact CD1-CD1 3.9Å; L287-F323 HydrophobicContact CD1-CE1 4.42Å; L287-L324 PolarHBondContact N-O 2.93Å; L287-I325 HydrophobicContact CB-CD1 3.97Å; L287-I325 HydrophobicContact CD1-CD1 4.11Å; L287-R326 VanDerWaalsContact O-CB 3.24Å; L287-R326 WeakPolarHBondContact O-CB 3.45Å; L287-R326 VanDerWaalsContact O-CG 3.27Å; L287-R326 WeakPolarHBondContact O-CG 3.39Å; L287-R326 PolarHBondContact O-N 2.87Å
288	S	92.4	Very high	90.5	Very high	21 Å²	21	29.7 Å²	29.7	15%	0.147	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.6	-175.1	-157.4	0	0	0	0	111	K187 N290	K187-S288 WeakPolarHBondContact CE-OG 3.48Å; K187-S288 PolarHBondContact NZ-OG 3.16Å; S288-N290 PolarHBondContact O-N 2.95Å
289	H	92.6	Very high	90	Very high	93 Å²	93	29.7 Å²	29.7	43%	0.431	15%	0.146	S	C	.	.	S	Bend	trans	61.9	-31.3	177.4	-44.1	-62.1	0	0	0	117.4	I325 R326 D327 W328	H289-I325 VanDerWaalsContact C-CG2 3.49Å; H289-R326 WeakPolarHBondContact CA-O 3.44Å; H289-R326 PolarHBondContact N-O 3.27Å; H289-D327 VanDerWaalsContact CE1-CB 3.44Å; H289-D327 WeakPolarHBondContact CE1-CB 3.4Å; H289-D327 IonicContact CE1-OD2 3.37Å; H289-D327 WeakPolarHBondContact ND1-CB 3.4Å; H289-D327 PolarHBondContact ND1-O 3.49Å; H289-W328 VanDerWaalsContact O-CE3 3.23Å; H289-W328 WeakPolarHBondContact O-CZ3 3.3Å
290	N	93.8	Very high	89.2	Confident	50 Å²	50	33.3 Å²	33.3	27%	0.267	16%	0.164	S	C	.	.	S	Bend	trans	-157.6	176.9	-170	-165.1	13.8	0	0	0	110.9	S288 F344 R348	S288-N290 PolarHBondContact O-N 2.95Å; N290-F344 WeakPolarHBondContact OD1-CZ 3.49Å; N290-R348 PolarHBondContact ND2-NH2 2.72Å; N290-R348 PolarHBondContact OD1-NE 3.21Å; N290-R348 PolarHBondContact OD1-NH2 2.96Å
291	I	93.5	Very high	87.9	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	17%	0.174	C	C	.	.			trans	-106.1	122.2	160.3	-61.3	169.7	0	0	0	106.8	L287 L296 F323 I325 F344 L345 R348	L287-I291 HydrophobicContact CD1-CG1 4Å; I291-L296 HydrophobicContact CG2-CD1 4.39Å; I291-L296 HydrophobicContact CG2-CD2 3.91Å; I291-L296 HydrophobicContact CG2-CG 4.03Å; I291-F323 HydrophobicContact CD1-CB 4.26Å; I291-F323 HydrophobicContact CD1-CD1 3.89Å; I291-F323 HydrophobicContact CD1-CE1 4.43Å; I291-F323 HydrophobicContact CD1-CG 4.09Å; I291-F323 HydrophobicContact CG1-CD1 4.19Å; I291-I325 HydrophobicContact CD1-CD1 4.11Å; I291-I325 HydrophobicContact CG1-CD1 3.53Å; I291-F344 HydrophobicContact CB-CE1 4.46Å; I291-F344 HydrophobicContact CD1-CD1 4.39Å; I291-F344 HydrophobicContact CD1-CE1 3.74Å; I291-F344 HydrophobicContact CG1-CE1 3.89Å; I291-F344 HydrophobicContact CG1-CZ 4.42Å; I291-L345 HydrophobicContact CD1-CD1 3.69Å; I291-R348 HydrophobicContact CB-CG 4.48Å
292	Q	90.4	Very high	86.6	Confident	103 Å²	103	35.6 Å²	35.6	48%	0.481	18%	0.175	S	C	.	.			trans	-98.1	167.2	176.2	-52	-168.8	-133.5	0	0	110.7	D294 D295	Q292-D294 VanDerWaalsContact C-N 3.34Å; Q292-D294 WeakPolarHBondContact CB-OD1 3.47Å; Q292-D295 WeakPolarHBondContact CB-OD2 3.2Å; Q292-D295 PolarHBondContact N-OD2 2.9Å
293	E	85.9	Confident	85.2	Confident	69 Å²	69	35.3 Å²	35.3	32%	0.322	17%	0.173	S	C	.	.	H	α-helix	trans	-74.3	-28.1	179.1	-62.1	-65.2	142.3	0	0	111.6	L296 Q297 R363	E293-L296 WeakPolarHBondContact O-CB 3.28Å; E293-L296 PolarHBondContact O-N 2.9Å; E293-Q297 WeakPolarHBondContact O-CG 3.32Å; E293-Q297 PolarHBondContact O-N 2.95Å; E293-R363 VanDerWaalsContact CD-NH2 3.3Å; E293-R363 IonicContact OE1-CZ 2.72Å; E293-R363 IonicContact OE1-NH1 3.83Å; E293-R363 IonicContact OE1-NH2 3.75Å; E293-R363 PolarHBondContact OE1-NH2 3.41Å; E293-R363 IonicContact OE2-CZ 2.68Å; E293-R363 IonicContact OE2-NH1 2.73Å; E293-R363 PolarHBondContact OE2-NH1 3.21Å; E293-R363 IonicContact OE2-NH2 3.32Å; E293-R363 PolarHBondContact OE2-NH2 3.1Å
294	D	82.5	Confident	84	Confident	70 Å²	70	38.4 Å²	38.4	37%	0.374	19%	0.187	S	C	.	.	H	α-helix	trans	-66.5	-38.6	172.4	50.5	-59.2	0	0	0	112.1	Q292 L296 Q297 H298	Q292-D294 VanDerWaalsContact C-N 3.34Å; Q292-D294 WeakPolarHBondContact CB-OD1 3.47Å; D294-L296 PolarHBondContact O-N 2.77Å; D294-Q297 PolarHBondContact O-N 2.92Å; D294-Q297 VanDerWaalsContact O-N 3.1Å; D294-H298 PolarHBondContact O-CE1 3.48Å; D294-H298 VanDerWaalsContact O-CG 3.24Å; D294-H298 PolarHBondContact O-N 2.91Å; D294-H298 PolarHBondContact O-ND1 2.68Å
295	D	86.3	Confident	82.9	Confident	21 Å²	21	38.8 Å²	38.8	11%	0.112	19%	0.189	C	C	.	.	H	α-helix	trans	-54.5	-38.2	169.1	-64.5	-47	0	0	0	112.1	Y285 L287 Q292	Y285-D295 HydrophobicContact CE1-CB 4.36Å; Y285-D295 WeakPolarHBondContact OH-CA 3.47Å; Y285-D295 PolarHBondContact OH-O 2.88Å; L287-D295 HydrophobicContact CD1-CB 4.05Å; L287-D295 HydrophobicContact CD2-CB 4.25Å; L287-D295 WeakPolarHBondContact CD2-OD1 3.43Å; Q292-D295 WeakPolarHBondContact CB-OD2 3.2Å; Q292-D295 PolarHBondContact N-OD2 2.9Å
296	L	85.4	Confident	81.7	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-77	-34.6	177.7	-58	179.1	0	0	0	112	I291 E293 D294 H298 L299 Q300 F323 L349 V362 I366	I291-L296 HydrophobicContact CG2-CD1 4.39Å; I291-L296 HydrophobicContact CG2-CD2 3.91Å; I291-L296 HydrophobicContact CG2-CG 4.03Å; E293-L296 WeakPolarHBondContact O-CB 3.28Å; E293-L296 PolarHBondContact O-N 2.9Å; D294-L296 PolarHBondContact O-N 2.77Å; L296-H298 VanDerWaalsContact C-N 3.34Å; L296-L299 HydrophobicContact CD2-CD1 4.44Å; L296-L299 WeakPolarHBondContact O-CB 3.34Å; L296-L299 PolarHBondContact O-N 3.11Å; L296-Q300 PolarHBondContact O-N 3.36Å; L296-F323 HydrophobicContact CD2-CE1 4.13Å; L296-F323 HydrophobicContact CD2-CZ 4.09Å; L296-L349 HydrophobicContact CD1-CD2 4.23Å; L296-L349 HydrophobicContact CD2-CD2 3.96Å; L296-V362 HydrophobicContact CB-CG1 3.85Å; L296-V362 VanDerWaalsContact O-CG1 3.29Å; L296-V362 WeakPolarHBondContact O-CG1 3.44Å; L296-I366 HydrophobicContact CB-CD1 4.29Å; L296-I366 HydrophobicContact CD2-CD1 3.93Å
297	Q	78.5	Confident	80.7	Confident	93 Å²	93	43.3 Å²	43.3	44%	0.435	21%	0.206	S	C	.	.	H	α-helix	trans	-66.4	-34	173.5	-73	174.7	-13.7	0	0	112.1	E293 D294 L299 Q300	E293-Q297 WeakPolarHBondContact O-CG 3.32Å; E293-Q297 PolarHBondContact O-N 2.95Å; D294-Q297 PolarHBondContact O-N 2.92Å; D294-Q297 VanDerWaalsContact O-N 3.1Å; Q297-L299 PolarHBondContact O-N 3.48Å; Q297-Q300 WeakPolarHBondContact O-CB 3.41Å; Q297-Q300 PolarHBondContact O-N 2.99Å
298	H	74.9	Confident	79.8	Confident	67 Å²	67	44 Å²	44	31%	0.31	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-28.8	172.6	-62.5	132.3	0	0	0	112.7	F260 D294 L296 Q300 F302	F260-H298 AromaticContact CE1-NE2 3.66Å; F260-H298 AromaticContact CE2-CE1 3.61Å; F260-H298 AromaticContact CE2-ND1 3.7Å; F260-H298 AromaticContact CE2-NE2 3.99Å; F260-H298 AromaticContact CZ-CD2 3.45Å; F260-H298 VanDerWaalsContact CZ-CD2 3.45Å; F260-H298 WeakPolarHBondContact CZ-CD2 3.44Å; F260-H298 AromaticContact CZ-CE1 3.36Å; F260-H298 WeakPolarHBondContact CZ-CE1 3.44Å; F260-H298 AromaticContact CZ-CG 3.65Å; F260-H298 AromaticContact CZ-ND1 3.59Å; F260-H298 AromaticContact CZ-NE2 3.25Å; F260-H298 VanDerWaalsContact CZ-NE2 3.25Å; F260-H298 WeakPolarHBondContact CZ-NE2 3.29Å; D294-H298 PolarHBondContact O-CE1 3.48Å; D294-H298 VanDerWaalsContact O-CG 3.24Å; D294-H298 PolarHBondContact O-N 2.91Å; D294-H298 PolarHBondContact O-ND1 2.68Å; L296-H298 VanDerWaalsContact C-N 3.34Å; H298-Q300 VanDerWaalsContact C-N 3.3Å; H298-F302 WeakPolarHBondContact O-CE2 3.29Å
299	L	77.8	Confident	78.7	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-15.9	171.9	-61.1	174.3	0	0	0	113.3	F273 Y285 L296 Q297 L301 F302 T303 L321 F323 I366	F273-L299 HydrophobicContact CE1-CD2 3.65Å; F273-L299 HydrophobicContact CZ-CD2 3.68Å; Y285-L299 HydrophobicContact CD1-CD1 4.19Å; Y285-L299 HydrophobicContact CD1-CD2 4.15Å; Y285-L299 HydrophobicContact CD1-CG 4.44Å; Y285-L299 HydrophobicContact CE1-CD1 3.98Å; Y285-L299 HydrophobicContact CE1-CD2 3.97Å; Y285-L299 HydrophobicContact CE1-CG 3.94Å; L296-L299 HydrophobicContact CD2-CD1 4.44Å; L296-L299 WeakPolarHBondContact O-CB 3.34Å; L296-L299 PolarHBondContact O-N 3.11Å; Q297-L299 PolarHBondContact O-N 3.48Å; L299-L301 VanDerWaalsContact C-N 3.27Å; L299-L301 PolarHBondContact O-N 3.04Å; L299-F302 HydrophobicContact CD2-CD2 4.34Å; L299-F302 WeakPolarHBondContact O-CD2 3.44Å; L299-F302 PolarHBondContact O-N 2.77Å; L299-F302 VanDerWaalsContact O-N 3.08Å; L299-T303 PolarHBondContact O-N 2.86Å; L299-L321 HydrophobicContact CD1-CD2 4.29Å; L299-F323 HydrophobicContact CD1-CE1 4.06Å; L299-F323 HydrophobicContact CD1-CZ 3.71Å; L299-I366 HydrophobicContact CB-CD1 4.08Å; L299-I366 HydrophobicContact CB-CG1 4.23Å; L299-I366 HydrophobicContact CD1-CD1 3.85Å; L299-I366 HydrophobicContact CD1-CG1 4.34Å
300	Q	74.1	Confident	77.7	Confident	78 Å²	78	42.4 Å²	42.4	36%	0.364	20%	0.201	S	C	.	.	H	α-helix	trans	-62.1	-30.8	-176.2	-169.2	177.6	-13.4	0	0	112.9	L296 Q297 H298 F302 T303 V362	L296-Q300 PolarHBondContact O-N 3.36Å; Q297-Q300 WeakPolarHBondContact O-CB 3.41Å; Q297-Q300 PolarHBondContact O-N 2.99Å; H298-Q300 VanDerWaalsContact C-N 3.3Å; Q300-F302 PolarHBondContact O-N 2.75Å; Q300-T303 WeakPolarHBondContact CA-OG1 3.33Å; Q300-T303 WeakPolarHBondContact O-CB 3.41Å; Q300-T303 PolarHBondContact O-N 3.23Å; Q300-T303 PolarHBondContact O-OG1 2.92Å; Q300-V362 HydrophobicContact CB-CG2 4.12Å; Q300-V362 HydrophobicContact CG-CG2 3.93Å
301	L	69.4	Low	76.6	Confident	46 Å²	46	46.2 Å²	46.2	24%	0.241	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-34.5	175.7	-177.7	61.1	0	0	0	112.2	A270 L299 L450	A270-L301 HydrophobicContact CB-CD2 3.89Å; L299-L301 VanDerWaalsContact C-N 3.27Å; L299-L301 PolarHBondContact O-N 3.04Å; L301-L450 HydrophobicContact CD2-CD1 4.15Å; L301-L450 HydrophobicContact CD2-CD2 4.38Å
302	F	68.4	Low	75.5	Confident	7 Å²	7	50.8 Å²	50.8	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-84.6	-19.7	-179.8	-42.3	-54.2	0	0	0	112.3	F273 A274 H298 L299 Q300 G306 F318	F273-F302 HydrophobicContact CB-CZ 4.45Å; F273-F302 HydrophobicContact CD1-CD2 4.16Å; F273-F302 AromaticContact CD1-CE2 3.3Å; F273-F302 HydrophobicContact CD1-CE2 3.3Å; F273-F302 AromaticContact CD1-CZ 3.62Å; F273-F302 HydrophobicContact CD1-CZ 3.62Å; F273-F302 HydrophobicContact CE1-CD2 4.13Å; F273-F302 AromaticContact CE1-CE2 3.63Å; F273-F302 HydrophobicContact CE1-CE2 3.63Å; F273-F302 HydrophobicContact CE1-CZ 4.38Å; F273-F302 HydrophobicContact CG-CE2 4.35Å; F273-F302 HydrophobicContact CG-CZ 4.44Å; A274-F302 HydrophobicContact CB-CD1 4.36Å; A274-F302 HydrophobicContact CB-CE1 3.47Å; A274-F302 VanDerWaalsContact CB-CE1 3.47Å; A274-F302 HydrophobicContact CB-CZ 4.16Å; H298-F302 WeakPolarHBondContact O-CE2 3.29Å; L299-F302 HydrophobicContact CD2-CD2 4.34Å; L299-F302 WeakPolarHBondContact O-CD2 3.44Å; L299-F302 PolarHBondContact O-N 2.77Å; L299-F302 VanDerWaalsContact O-N 3.08Å; Q300-F302 PolarHBondContact O-N 2.75Å; F302-G306 PolarHBondContact O-N 2.79Å; F302-F318 HydrophobicContact CB-CE2 3.85Å; F302-F318 HydrophobicContact CB-CZ 4.16Å
303	T	67.8	Low	74.4	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-40.3	175.9	64.8	0	0	0	0	112.8	L299 Q300 G306 R307 H365 I366	L299-T303 PolarHBondContact O-N 2.86Å; Q300-T303 WeakPolarHBondContact CA-OG1 3.33Å; Q300-T303 WeakPolarHBondContact O-CB 3.41Å; Q300-T303 PolarHBondContact O-N 3.23Å; Q300-T303 PolarHBondContact O-OG1 2.92Å; T303-G306 PolarHBondContact O-N 2.95Å; T303-R307 WeakPolarHBondContact O-CB 3.39Å; T303-R307 PolarHBondContact O-N 2.87Å; T303-H365 HydrophobicContact CG2-CB 3.44Å; T303-H365 VanDerWaalsContact CG2-CB 3.44Å; T303-I366 HydrophobicContact CG2-CG1 4.23Å
304	E	70	Confident	73.7	Confident	66 Å²	66	53.8 Å²	53.8	31%	0.308	25%	0.254	S	S	.	.	H	α-helix	trans	-74.9	-35.6	177.9	-74.6	-66.3	174.7	0	0	112.9	R307 L308 P453	E304-R307 IonicContact OE1-CZ 2.81Å; E304-R307 IonicContact OE1-NE 2.67Å; E304-R307 IonicContact OE1-NH2 2.77Å; E304-R307 PolarHBondContact OE1-NH2 2.74Å; E304-R307 IonicContact OE2-CZ 3.83Å; E304-R307 IonicContact OE2-NE 3.26Å; E304-R307 PolarHBondContact OE2-NE 3.06Å; E304-R307 IonicContact OE2-NH2 2.64Å; E304-R307 PolarHBondContact OE2-NH2 3.01Å; E304-L308 PolarHBondContact O-N 3.42Å; E304-P453 HydrophobicContact CB-CG 3.95Å
305	Y	72.9	Confident	73.3	Confident	9 Å²	9	52.3 Å²	52.3	4%	0.035	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-49.1	167.3	171.4	-106	0	0	0	111.5	R307 L308 A309 P317 F318 M456 L457 T460	Y305-R307 VanDerWaalsContact C-N 3.34Å; Y305-R307 PolarHBondContact O-N 3.31Å; Y305-L308 PolarHBondContact O-N 3.15Å; Y305-A309 PolarHBondContact O-N 3.28Å; Y305-P317 HydrophobicContact CE1-CB 4.22Å; Y305-F318 HydrophobicContact CD1-CE1 4.25Å; Y305-F318 HydrophobicContact CD1-CE2 4.16Å; Y305-F318 AromaticContact CD1-CZ 3.51Å; Y305-F318 HydrophobicContact CD1-CZ 3.51Å; Y305-F318 AromaticContact CE1-CE1 4Å; Y305-F318 HydrophobicContact CE1-CE1 4Å; Y305-F318 AromaticContact CE1-CZ 3.73Å; Y305-F318 HydrophobicContact CE1-CZ 3.73Å; Y305-M456 HydrophobicContact CD2-CB 3.48Å; Y305-M456 VanDerWaalsContact CD2-CB 3.48Å; Y305-M456 HydrophobicContact CD2-CE 4.45Å; Y305-M456 HydrophobicContact CD2-CG 4.49Å; Y305-M456 HydrophobicContact CD2-SD 4.35Å; Y305-M456 HydrophobicContact CE2-CB 3.61Å; Y305-L457 HydrophobicContact CE2-CB 4.29Å; Y305-T460 PolarHBondContact OH-OG1 3.15Å
306	G	69.9	Low	73.2	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.1	-34.3	-174.9	0	0	0	0	0	113.7	F302 T303 A309 M310	F302-G306 PolarHBondContact O-N 2.79Å; T303-G306 PolarHBondContact O-N 2.95Å; G306-A309 PolarHBondContact O-N 2.98Å; G306-M310 VanDerWaalsContact O-CG 3.29Å; G306-M310 WeakPolarHBondContact O-CG 3.29Å; G306-M310 PolarHBondContact O-N 3.32Å
307	R	74.8	Confident	73.1	Confident	101 Å²	101	56 Å²	56	38%	0.381	27%	0.267	S	S	.	.	H	α-helix	trans	-56.1	-51.2	170.5	-176.7	166.9	71.5	113.7	-16.7	111.8	T303 E304 Y305 M310 E311	T303-R307 WeakPolarHBondContact O-CB 3.39Å; T303-R307 PolarHBondContact O-N 2.87Å; E304-R307 IonicContact OE1-CZ 2.81Å; E304-R307 IonicContact OE1-NE 2.67Å; E304-R307 IonicContact OE1-NH2 2.77Å; E304-R307 PolarHBondContact OE1-NH2 2.74Å; E304-R307 IonicContact OE2-CZ 3.83Å; E304-R307 IonicContact OE2-NE 3.26Å; E304-R307 PolarHBondContact OE2-NE 3.06Å; E304-R307 IonicContact OE2-NH2 2.64Å; E304-R307 PolarHBondContact OE2-NH2 3.01Å; Y305-R307 VanDerWaalsContact C-N 3.34Å; Y305-R307 PolarHBondContact O-N 3.31Å; R307-M310 PolarHBondContact O-N 2.96Å; R307-E311 PolarHBondContact O-N 3.02Å
308	L	74.3	Confident	73.6	Confident	20 Å²	20	51.9 Å²	51.9	11%	0.105	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-37.9	177.8	-61.6	179.3	0	0	0	112.4	E304 Y305 M310 E311 E312 P453 K454 L457	E304-L308 PolarHBondContact O-N 3.42Å; Y305-L308 PolarHBondContact O-N 3.15Å; L308-M310 PolarHBondContact O-N 3.27Å; L308-E311 WeakPolarHBondContact CD2-OE2 3.28Å; L308-E311 WeakPolarHBondContact O-CB 3.32Å; L308-E311 PolarHBondContact O-N 3.4Å; L308-E312 PolarHBondContact O-N 3.17Å; L308-P453 HydrophobicContact CD1-CB 3.54Å; L308-K454 HydrophobicContact CD1-CB 4.46Å; L308-K454 HydrophobicContact CD1-CG 3.56Å; L308-L457 VanDerWaalsContact C-CD1 3.48Å; L308-L457 HydrophobicContact CB-CD1 3.84Å; L308-L457 VanDerWaalsContact O-CD1 3.31Å; L308-L457 WeakPolarHBondContact O-CD1 3.34Å
309	A	70.4	Confident	74.5	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-29.9	175.7	0	0	0	0	0	112.6	Y305 G306 T313 P317	Y305-A309 PolarHBondContact O-N 3.28Å; G306-A309 PolarHBondContact O-N 2.98Å; A309-T313 PolarHBondContact O-N 3.45Å; A309-T313 PolarHBondContact O-OG1 3.08Å; A309-P317 HydrophobicContact CB-CB 3.9Å
310	M	70.4	Confident	75.3	Confident	79 Å²	79	49.8 Å²	49.8	39%	0.389	24%	0.238	S	C	.	.	H	α-helix	trans	-78.5	-17.6	171.7	-68.4	175.5	72.1	0	0	113.9	G306 R307 L308 T313	G306-M310 VanDerWaalsContact O-CG 3.29Å; G306-M310 WeakPolarHBondContact O-CG 3.29Å; G306-M310 PolarHBondContact O-N 3.32Å; R307-M310 PolarHBondContact O-N 2.96Å; L308-M310 PolarHBondContact O-N 3.27Å; M310-T313 CarbonylContact C-O 3.6Å; M310-T313 WeakPolarHBondContact CA-O 3.46Å
311	E	71.9	Confident	76.3	Confident	129 Å²	129	46.1 Å²	46.1	60%	0.603	22%	0.221	S	C	*	.	H	α-helix	trans	-77.7	-33.1	170.8	-68.9	171.6	-167.7	0	0	111.4	R307 L308	R307-E311 PolarHBondContact O-N 3.02Å; L308-E311 WeakPolarHBondContact CD2-OE2 3.28Å; L308-E311 WeakPolarHBondContact O-CB 3.32Å; L308-E311 PolarHBondContact O-N 3.4Å
312	E	69.8	Low	77.6	Confident	100 Å²	100	44.2 Å²	44.2	47%	0.467	21%	0.211	S	C	.	.	H	α-helix	trans	-92	-20.1	175.3	-76	-165.5	-142.8	0	0	114.8	L308 L457 G518	L308-E312 PolarHBondContact O-N 3.17Å; E312-L457 HydrophobicContact CB-CD1 4.25Å; E312-L457 HydrophobicContact CB-CD2 4.36Å; E312-L457 VanDerWaalsContact CD-CD2 3.45Å; E312-L457 HydrophobicContact CG-CD1 4.01Å; E312-L457 HydrophobicContact CG-CD2 4.32Å; E312-L457 WeakPolarHBondContact OE1-CD2 3.45Å; E312-L457 WeakPolarHBondContact OE2-CD2 3.35Å; E312-G518 WeakPolarHBondContact OE2-CA 3.23Å; E312-G518 PolarHBondContact OE2-N 3.11Å; E312-G518 VanDerWaalsContact OE2-N 3.1Å
313	T	67.7	Low	79	Confident	22 Å²	22	43.9 Å²	43.9	14%	0.135	21%	0.21	C	C	.	.			trans	-140.5	139.3	179.4	66.6	0	0	0	0	112.9	A309 M310 S315 M517	A309-T313 PolarHBondContact O-N 3.45Å; A309-T313 PolarHBondContact O-OG1 3.08Å; M310-T313 CarbonylContact C-O 3.6Å; M310-T313 WeakPolarHBondContact CA-O 3.46Å; T313-S315 PolarHBondContact O-N 3.26Å; T313-S315 PolarHBondContact OG1-O 2.94Å; T313-S315 PolarHBondContact OG1-OG 3.18Å; T313-M517 HydrophobicContact CG2-CE 4Å; T313-M517 HydrophobicContact CG2-CG 3.81Å
314	E	69.8	Low	80.4	Confident	213 Å²	213	43.7 Å²	43.7	100%	0.995	21%	0.209	S	C	*	.	S	Bend	trans	-67.4	-1.6	176.8	-57.8	-178.8	151.5	0	0	114
315	S	74.7	Confident	81.7	Confident	39 Å²	39	40.6 Å²	40.6	27%	0.273	19%	0.194	S	C	.	.	S	Bend	trans	-101.9	139.6	-177.8	54.3	0	0	0	0	112.2	T313	T313-S315 PolarHBondContact O-N 3.26Å; T313-S315 PolarHBondContact OG1-O 2.94Å; T313-S315 PolarHBondContact OG1-OG 3.18Å
316	K	85	Confident	82.8	Confident	79 Å²	79	40.6 Å²	40.6	34%	0.343	19%	0.194	S	C	.	.			trans	-58.1	139.2	168.1	-63.2	-166.1	173.5	-175.5	0	110.5	D367 S368 F370	K316-D367 WeakPolarHBondContact CE-O 3.46Å; K316-D367 PolarHBondContact NZ-O 2.99Å; K316-D367 IonicContact NZ-OD2 3.27Å; K316-S368 WeakPolarHBondContact CD-O 3.36Å; K316-S368 WeakPolarHBondContact CE-O 3.45Å; K316-S368 WeakPolarHBondContact CG-O 3.25Å; K316-F370 VanDerWaalsContact CD-C 3.49Å; K316-F370 WeakPolarHBondContact CD-O 3.42Å; K316-F370 PolarHBondContact NZ-O 2.91Å
317	P	82.9	Confident	84	Confident	22 Å²	22	42 Å²	42	14%	0.143	20%	0.202	C	C	.	.	S	Bend	trans	-71.4	-29.7	-173.1	30.2	-40.2	0	0	0	114.2	Y305 A309 C369	Y305-P317 HydrophobicContact CE1-CB 4.22Å; A309-P317 HydrophobicContact CB-CB 3.9Å; P317-C369 VanDerWaalsContact CD-O 3.28Å; P317-C369 WeakPolarHBondContact CD-O 3.4Å; P317-C369 HydrophobicContact CG-CB 4.2Å; P317-C369 VanDerWaalsContact CG-O 3.32Å; P317-C369 WeakPolarHBondContact CG-O 3.31Å
318	F	89.4	Confident	85.1	Confident	5 Å²	5	37.8 Å²	37.8	2%	0.022	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.6	-176.4	-51	-60.9	0	0	0	111.1	T277 M278 F302 Y305 C369 F370 S371	T277-F318 HydrophobicContact CG2-CD1 4.05Å; T277-F318 HydrophobicContact CG2-CE1 4.04Å; T277-F318 HydrophobicContact CG2-CG 4.28Å; T277-F318 HydrophobicContact CG2-CZ 4.27Å; M278-F318 HydrophobicContact CG-CE1 4.03Å; F302-F318 HydrophobicContact CB-CE2 3.85Å; F302-F318 HydrophobicContact CB-CZ 4.16Å; Y305-F318 HydrophobicContact CD1-CE1 4.25Å; Y305-F318 HydrophobicContact CD1-CE2 4.16Å; Y305-F318 AromaticContact CD1-CZ 3.51Å; Y305-F318 HydrophobicContact CD1-CZ 3.51Å; Y305-F318 AromaticContact CE1-CE1 4Å; Y305-F318 HydrophobicContact CE1-CE1 4Å; Y305-F318 AromaticContact CE1-CZ 3.73Å; Y305-F318 HydrophobicContact CE1-CZ 3.73Å; F318-C369 WeakPolarHBondContact CB-O 3.44Å; F318-C369 HydrophobicContact CD2-CB 4.02Å; F318-C369 HydrophobicContact CE2-CB 4.41Å; F318-C369 PolarHBondContact N-O 2.96Å; F318-F370 HydrophobicContact CB-CD1 3.36Å; F318-F370 HydrophobicContact CB-CE1 3.39Å; F318-F370 HydrophobicContact CB-CG 4.08Å; F318-F370 HydrophobicContact CB-CZ 4.14Å; F318-F370 HydrophobicContact CD2-CD1 4.4Å; F318-F370 AromaticContact CD2-CE1 3.95Å; F318-F370 HydrophobicContact CD2-CE1 3.95Å; F318-F370 HydrophobicContact CD2-CE2 4.11Å; F318-F370 AromaticContact CD2-CZ 3.79Å; F318-F370 HydrophobicContact CD2-CZ 3.79Å; F318-F370 HydrophobicContact CG-CD1 4.25Å; F318-F370 AromaticContact CG-CE1 3.85Å; F318-F370 HydrophobicContact CG-CE1 3.85Å; F318-F370 HydrophobicContact CG-CZ 4.15Å; F318-F370 WeakPolarHBondContact O-CA 3.38Å; F318-S371 PolarHBondContact O-N 3.39Å
319	Q	93	Very high	86.1	Confident	19 Å²	19	40.9 Å²	40.9	9%	0.089	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-96.4	-171.5	-65.1	174.9	-79.7	0	0	111.1	S281 S371 K372 V420 E421	S281-Q319 WeakPolarHBondContact O-CB 3.25Å; Q319-S371 WeakPolarHBondContact CA-OG 3.48Å; Q319-S371 PolarHBondContact O-N 3.18Å; Q319-S371 PolarHBondContact O-OG 3.25Å; Q319-S371 VanDerWaalsContact O-OG 3.1Å; Q319-K372 PolarHBondContact O-N 3.15Å; Q319-V420 HydrophobicContact CB-CG1 4.3Å; Q319-E421 PolarHBondContact NE2-O 3.31Å
320	S	95.4	Very high	87.2	Confident	8 Å²	8	42.1 Å²	42.1	6%	0.056	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.6	-176	-166.1	0	0	0	0	112.6	S281 V282 Q283 K372	S281-S320 PolarHBondContact O-N 2.8Å; V282-S320 WeakPolarHBondContact CA-O 3.45Å; Q283-S320 PolarHBondContact N-O 2.63Å; S320-K372 WeakPolarHBondContact CA-O 3.38Å
321	L	95.1	Very high	88.3	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.2	165.1	-179.2	61	0	0	0	109.3	Q283 L299 F323 F370 K372 I373 S374	Q283-L321 HydrophobicContact CB-CD1 4.34Å; Q283-L321 HydrophobicContact CG-CD1 4.34Å; Q283-L321 WeakPolarHBondContact O-CA 3.36Å; L299-L321 HydrophobicContact CD1-CD2 4.29Å; L321-F323 HydrophobicContact CD2-CD2 4.4Å; L321-F323 HydrophobicContact CD2-CE2 3.64Å; L321-F323 HydrophobicContact CD2-CZ 3.94Å; L321-F323 HydrophobicContact CG-CD2 4.38Å; L321-F323 HydrophobicContact CG-CE2 4.09Å; L321-F370 HydrophobicContact CB-CB 4.48Å; L321-F370 HydrophobicContact CB-CD1 3.62Å; L321-F370 HydrophobicContact CB-CD2 4.42Å; L321-F370 HydrophobicContact CB-CE1 3.87Å; L321-F370 HydrophobicContact CB-CG 3.93Å; L321-F370 HydrophobicContact CB-CZ 4.38Å; L321-F370 HydrophobicContact CD2-CD2 4.06Å; L321-F370 HydrophobicContact CD2-CE1 4.42Å; L321-F370 HydrophobicContact CD2-CE2 3.9Å; L321-F370 HydrophobicContact CD2-CG 4.4Å; L321-F370 HydrophobicContact CD2-CZ 4.09Å; L321-K372 PolarHBondContact N-O 3.27Å; L321-I373 HydrophobicContact CB-CG2 4.43Å; L321-I373 HydrophobicContact CD2-CG2 4.39Å; L321-I373 WeakPolarHBondContact O-CA 3.4Å; L321-S374 PolarHBondContact O-N 2.93Å; L321-S374 PolarHBondContact O-OG 2.81Å; L321-S374 VanDerWaalsContact O-OG 3.06Å
322	M	96.6	Very high	89.4	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.1	169.8	-175	-177.9	-72	0	0	110.3	Q283 V284 Y285 L324 S374 F376 L409 V412 L413	Q283-M322 PolarHBondContact O-N 3.49Å; V284-M322 WeakPolarHBondContact CA-O 3.37Å; Y285-M322 PolarHBondContact N-O 3.3Å; M322-L324 PolarHBondContact O-N 3.22Å; M322-S374 CarbonylContact C-O 3.47Å; M322-S374 WeakPolarHBondContact CA-O 3.3Å; M322-S374 WeakPolarHBondContact CA-OG 3.47Å; M322-S374 WeakPolarHBondContact CB-OG 3.37Å; M322-F376 HydrophobicContact SD-CB 4.12Å; M322-L409 HydrophobicContact SD-CD1 3.86Å; M322-V412 HydrophobicContact CE-CG1 3.85Å; M322-L413 HydrophobicContact CE-CD2 3.56Å; M322-L413 HydrophobicContact CE-CG 4.14Å; M322-L413 HydrophobicContact SD-CD2 3.83Å; M322-L413 HydrophobicContact SD-CG 4.34Å
323	F	97	Very high	90.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	106.8	165.4	-69.9	-91.9	0	0	0	108.7	Y285 L287 I291 L296 L299 L321 I325 L345 I373 S374 C375 F376	Y285-F323 AromaticContact CD1-CD1 3.98Å; Y285-F323 HydrophobicContact CD1-CD1 3.98Å; Y285-F323 AromaticContact CD1-CE1 3.73Å; Y285-F323 HydrophobicContact CD1-CE1 3.73Å; Y285-F323 HydrophobicContact CE1-CE1 4.14Å; L287-F323 HydrophobicContact CD1-CD1 3.9Å; L287-F323 HydrophobicContact CD1-CE1 4.42Å; I291-F323 HydrophobicContact CD1-CB 4.26Å; I291-F323 HydrophobicContact CD1-CD1 3.89Å; I291-F323 HydrophobicContact CD1-CE1 4.43Å; I291-F323 HydrophobicContact CD1-CG 4.09Å; I291-F323 HydrophobicContact CG1-CD1 4.19Å; L296-F323 HydrophobicContact CD2-CE1 4.13Å; L296-F323 HydrophobicContact CD2-CZ 4.09Å; L299-F323 HydrophobicContact CD1-CE1 4.06Å; L299-F323 HydrophobicContact CD1-CZ 3.71Å; L321-F323 HydrophobicContact CD2-CD2 4.4Å; L321-F323 HydrophobicContact CD2-CE2 3.64Å; L321-F323 HydrophobicContact CD2-CZ 3.94Å; L321-F323 HydrophobicContact CG-CD2 4.38Å; L321-F323 HydrophobicContact CG-CE2 4.09Å; F323-I325 HydrophobicContact CB-CD1 4.23Å; F323-L345 HydrophobicContact CD2-CD1 3.59Å; F323-L345 HydrophobicContact CD2-CD2 4.22Å; F323-L345 HydrophobicContact CE2-CD1 3.86Å; F323-L345 HydrophobicContact CG-CD1 4.07Å; F323-I373 HydrophobicContact CD2-CG2 4.11Å; F323-I373 HydrophobicContact CE2-CG2 3.83Å; F323-S374 PolarHBondContact N-O 3.36Å; F323-C375 HydrophobicContact CB-CB 4.07Å; F323-C375 CarbonylContact O-C 3.54Å; F323-C375 VanDerWaalsContact O-CA 3.23Å; F323-C375 WeakPolarHBondContact O-CA 3.5Å; F323-F376 PolarHBondContact O-N 2.77Å
324	L	97.8	Very high	92	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	105.4	174.2	177.6	63.6	0	0	0	108.6	L192 V284 Y285 L287 M322 R326 F376 L378 L409	L192-L324 HydrophobicContact CD1-CD2 4.32Å; L192-L324 HydrophobicContact CD2-CD2 3.32Å; L192-L324 HydrophobicContact CG-CD2 4.45Å; V284-L324 HydrophobicContact CG1-CB 3.7Å; V284-L324 HydrophobicContact CG1-CD2 3.98Å; Y285-L324 PolarHBondContact O-N 3.39Å; L287-L324 PolarHBondContact N-O 2.93Å; M322-L324 PolarHBondContact O-N 3.22Å; L324-R326 PolarHBondContact O-N 2.69Å; L324-F376 HydrophobicContact CD1-CB 4.06Å; L324-F376 HydrophobicContact CD1-CD1 3.93Å; L324-F376 HydrophobicContact CD1-CG 4.36Å; L324-L378 HydrophobicContact CD1-CB 4.13Å; L324-L378 HydrophobicContact CD1-CD2 4.43Å; L324-L409 HydrophobicContact CD1-CD1 4.43Å; L324-L409 HydrophobicContact CD1-CD2 3.78Å; L324-L409 HydrophobicContact CD2-CD2 4.16Å
325	I	97.3	Very high	93.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	106.7	-179.5	-45.7	-52.5	0	0	0	108	L287 H289 I291 F323 W328 F344 F376 L377 L378	L287-I325 HydrophobicContact CB-CD1 3.97Å; L287-I325 HydrophobicContact CD1-CD1 4.11Å; H289-I325 VanDerWaalsContact C-CG2 3.49Å; I291-I325 HydrophobicContact CD1-CD1 4.11Å; I291-I325 HydrophobicContact CG1-CD1 3.53Å; F323-I325 HydrophobicContact CB-CD1 4.23Å; I325-W328 HydrophobicContact CG2-CE3 4.15Å; I325-F344 HydrophobicContact CG1-CE1 4.28Å; I325-F376 PolarHBondContact N-O 2.67Å; I325-L377 HydrophobicContact CB-CD2 3.69Å; I325-L377 HydrophobicContact CG1-CD2 3.6Å; I325-L377 HydrophobicContact CG2-CD2 4.35Å; I325-L378 PolarHBondContact O-N 3.19Å
326	R	96.3	Very high	94.4	Very high	10 Å²	10	40.5 Å²	40.5	4%	0.038	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	150.3	175.6	-54.1	-62.5	-68	-92.5	-0	110	K187 G188 N286 L287 H289 L324 W328	K187-R326 PolarHBondContact O-NH1 2.97Å; G188-R326 PolarHBondContact O-NH1 2.9Å; N286-R326 WeakPolarHBondContact OD1-CD 3.16Å; N286-R326 WeakPolarHBondContact OD1-CG 3.47Å; N286-R326 PolarHBondContact OD1-NH1 3.26Å; L287-R326 VanDerWaalsContact O-CB 3.24Å; L287-R326 WeakPolarHBondContact O-CB 3.45Å; L287-R326 VanDerWaalsContact O-CG 3.27Å; L287-R326 WeakPolarHBondContact O-CG 3.39Å; L287-R326 PolarHBondContact O-N 2.87Å; H289-R326 WeakPolarHBondContact CA-O 3.44Å; H289-R326 PolarHBondContact N-O 3.27Å; L324-R326 PolarHBondContact O-N 2.69Å; R326-W328 VanDerWaalsContact C-N 3.29Å; R326-W328 PolarHBondContact O-N 3.03Å
327	D	95.7	Very high	95	Very high	30 Å²	30	36.7 Å²	36.7	16%	0.16	18%	0.184	C	C	.	.	S	Bend	trans	55.5	44.6	171.6	-46.6	-31.5	0	0	0	112.3	H289 S329 L378 H380 P381	H289-D327 VanDerWaalsContact CE1-CB 3.44Å; H289-D327 WeakPolarHBondContact CE1-CB 3.4Å; H289-D327 IonicContact CE1-OD2 3.37Å; H289-D327 WeakPolarHBondContact ND1-CB 3.4Å; H289-D327 PolarHBondContact ND1-O 3.49Å; D327-S329 PolarHBondContact O-N 2.99Å; D327-S329 PolarHBondContact O-OG 3.27Å; D327-L378 PolarHBondContact N-O 3.43Å; D327-L378 VanDerWaalsContact N-O 3.14Å; D327-H380 HydrophobicContact CB-CB 4.28Å; D327-H380 WeakPolarHBondContact OD1-CA 3.35Å; D327-H380 IonicContact OD1-CD2 3.73Å; D327-H380 PolarHBondContact OD1-CD2 3.46Å; D327-P381 WeakPolarHBondContact OD1-CD 3.32Å
328	W	96.8	Very high	95.6	Very high	12 Å²	12	38.3 Å²	38.3	5%	0.045	19%	0.191	C	C	.	.			trans	-67	120.6	177.4	177.9	-114.2	0	0	0	110.7	H289 I325 R326 S330 Y334 Y336 F344 L377 L378	H289-W328 VanDerWaalsContact O-CE3 3.23Å; H289-W328 WeakPolarHBondContact O-CZ3 3.3Å; I325-W328 HydrophobicContact CG2-CE3 4.15Å; R326-W328 VanDerWaalsContact C-N 3.29Å; R326-W328 PolarHBondContact O-N 3.03Å; W328-S330 VanDerWaalsContact NE1-C 3.25Å; W328-S330 PolarHBondContact NE1-O 3.26Å; W328-Y334 HydrophobicContact CH2-CD2 4.22Å; W328-Y334 AromaticContact CZ2-CD2 3.89Å; W328-Y334 HydrophobicContact CZ2-CD2 3.89Å; W328-Y334 PolarHBondContact NE1-O 2.81Å; W328-Y336 HydrophobicContact CB-CD1 4.45Å; W328-Y336 HydrophobicContact CB-CE1 4.15Å; W328-Y336 AromaticContact CD1-CD1 3.75Å; W328-Y336 AromaticContact CD1-CE1 3.63Å; W328-Y336 HydrophobicContact CG-CE1 4.29Å; W328-Y336 WeakPolarHBondContact O-CE1 3.3Å; W328-F344 AromaticContact CH2-CD2 3.95Å; W328-F344 HydrophobicContact CH2-CD2 3.95Å; W328-F344 AromaticContact CH2-CE2 3.82Å; W328-F344 HydrophobicContact CH2-CE2 3.82Å; W328-F344 HydrophobicContact CH2-CZ 4.38Å; W328-F344 HydrophobicContact CZ3-CD2 4.43Å; W328-F344 AromaticContact CZ3-CE2 3.97Å; W328-F344 HydrophobicContact CZ3-CE2 3.97Å; W328-F344 HydrophobicContact CZ3-CZ 4.07Å; W328-L377 HydrophobicContact CB-CB 4.24Å; W328-L377 HydrophobicContact CD2-CB 4.49Å; W328-L377 HydrophobicContact CD2-CD1 4.11Å; W328-L377 HydrophobicContact CD2-CD2 4.17Å; W328-L377 HydrophobicContact CD2-CG 4.47Å; W328-L377 HydrophobicContact CE3-CD2 4.25Å; W328-L377 HydrophobicContact CG-CB 3.97Å; W328-L377 HydrophobicContact CG-CD1 4.33Å; W328-L377 HydrophobicContact CG-CD2 4.44Å; W328-L377 HydrophobicContact CG-CG 4.44Å; W328-L377 HydrophobicContact CZ2-CD1 4.2Å; W328-L378 WeakPolarHBondContact CB-O 3.49Å; W328-L378 PolarHBondContact N-O 3.41Å
329	S	94.6	Very high	95.9	Very high	85 Å²	85	46.7 Å²	46.7	59%	0.594	23%	0.227	S	C	*	.			trans	-99.4	-3.3	-171.8	-52.7	0	0	0	0	114.9	D327 P331	D327-S329 PolarHBondContact O-N 2.99Å; D327-S329 PolarHBondContact O-OG 3.27Å; S329-P331 WeakPolarHBondContact O-CD 3.44Å
330	S	94.6	Very high	96.1	Very high	26 Å²	26	46 Å²	46	18%	0.182	23%	0.226	C	C	.	.			trans	-124.8	53.9	-170.1	-56.3	0	0	0	0	113.8	W328 Y332 E333 Y334	W328-S330 VanDerWaalsContact NE1-C 3.25Å; W328-S330 PolarHBondContact NE1-O 3.26Å; S330-Y332 PolarHBondContact O-N 2.92Å; S330-Y332 VanDerWaalsContact O-N 3.07Å; S330-Y332 PolarHBondContact OG-OH 2.94Å; S330-E333 PolarHBondContact O-N 3.08Å; S330-Y334 PolarHBondContact O-N 3.15Å
331	P	94	Very high	96.2	Very high	43 Å²	43	45.7 Å²	45.7	28%	0.279	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.6	178.3	25.9	-35.2	0	0	0	113.1	S329 E333 Y334 D335 Y336	S329-P331 WeakPolarHBondContact O-CD 3.44Å; P331-E333 VanDerWaalsContact C-N 3.33Å; P331-E333 PolarHBondContact O-N 3.14Å; P331-Y334 CarbonylContact C-O 3.53Å; P331-Y334 VanDerWaalsContact CA-O 3.28Å; P331-Y334 WeakPolarHBondContact CA-O 3.15Å; P331-Y334 CarbonylContact O-C 3.6Å; P331-Y334 VanDerWaalsContact O-C 3.3Å; P331-D335 PolarHBondContact O-N 2.66Å; P331-Y336 HydrophobicContact CB-CD2 4.22Å; P331-Y336 HydrophobicContact CB-CE1 4.18Å; P331-Y336 HydrophobicContact CB-CE2 3.77Å; P331-Y336 HydrophobicContact CG-CE2 4.13Å
332	Y	94.3	Very high	96.2	Very high	193 Å²	193	48.6 Å²	48.6	76%	0.757	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-10.1	177.3	58.1	-98.9	0	0	0	114.9	S330	S330-Y332 PolarHBondContact O-N 2.92Å; S330-Y332 VanDerWaalsContact O-N 3.07Å; S330-Y332 PolarHBondContact OG-OH 2.94Å
333	E	95.4	Very high	96.3	Very high	101 Å²	101	50.4 Å²	50.4	47%	0.472	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-39.2	168.8	-161.5	-168.6	163.2	0	0	111.2	S330 P331 K347	S330-E333 PolarHBondContact O-N 3.08Å; P331-E333 VanDerWaalsContact C-N 3.33Å; P331-E333 PolarHBondContact O-N 3.14Å; E333-K347 IonicContact OE1-NZ 2.87Å; E333-K347 PolarHBondContact OE1-NZ 3.01Å
334	Y	96.9	Very high	96.3	Very high	37 Å²	37	50.6 Å²	50.6	15%	0.145	25%	0.254	C	S	.	.	S	Bend	trans	-140.7	120.2	173.2	-58.6	-71.3	0	0	0	109.3	W328 S330 P331 A343 F344 K347	W328-Y334 HydrophobicContact CH2-CD2 4.22Å; W328-Y334 AromaticContact CZ2-CD2 3.89Å; W328-Y334 HydrophobicContact CZ2-CD2 3.89Å; W328-Y334 PolarHBondContact NE1-O 2.81Å; S330-Y334 PolarHBondContact O-N 3.15Å; P331-Y334 CarbonylContact C-O 3.53Å; P331-Y334 VanDerWaalsContact CA-O 3.28Å; P331-Y334 WeakPolarHBondContact CA-O 3.15Å; P331-Y334 CarbonylContact O-C 3.6Å; P331-Y334 VanDerWaalsContact O-C 3.3Å; Y334-A343 HydrophobicContact CD1-CB 4.06Å; Y334-A343 HydrophobicContact CE1-CB 4.25Å; Y334-F344 HydrophobicContact CD1-CB 4.1Å; Y334-F344 HydrophobicContact CD2-CB 3.81Å; Y334-F344 AromaticContact CD2-CD2 3.74Å; Y334-F344 HydrophobicContact CD2-CD2 3.74Å; Y334-F344 HydrophobicContact CD2-CG 4.19Å; Y334-F344 HydrophobicContact CE2-CB 4.29Å; Y334-F344 AromaticContact CE2-CD2 3.89Å; Y334-F344 HydrophobicContact CE2-CD2 3.89Å; Y334-F344 HydrophobicContact CG-CB 3.76Å; Y334-K347 HydrophobicContact CE2-CD 4.44Å; Y334-K347 WeakPolarHBondContact OH-CD 2.93Å; Y334-K347 PolarHBondContact OH-NZ 3.27Å
335	D	97.1	Very high	96.2	Very high	117 Å²	117	50.9 Å²	50.9	63%	0.626	26%	0.255	S	S	*	.			trans	-53.6	155.4	177.3	-57.9	-61.4	0	0	0	112	P331 G340	P331-D335 PolarHBondContact O-N 2.66Å; D335-G340 WeakPolarHBondContact O-CA 3.47Å
336	Y	97.6	Very high	96	Very high	57 Å²	57	57 Å²	57	22%	0.224	28%	0.283	C	S	.	.	S	Bend	trans	-60.8	162.3	170.1	-60.3	-58.6	0	0	0	112.1	W328 P331 L377 P379 Q405	W328-Y336 HydrophobicContact CB-CD1 4.45Å; W328-Y336 HydrophobicContact CB-CE1 4.15Å; W328-Y336 AromaticContact CD1-CD1 3.75Å; W328-Y336 AromaticContact CD1-CE1 3.63Å; W328-Y336 HydrophobicContact CG-CE1 4.29Å; W328-Y336 WeakPolarHBondContact O-CE1 3.3Å; P331-Y336 HydrophobicContact CB-CD2 4.22Å; P331-Y336 HydrophobicContact CB-CE1 4.18Å; P331-Y336 HydrophobicContact CB-CE2 3.77Å; P331-Y336 HydrophobicContact CG-CE2 4.13Å; Y336-L377 WeakPolarHBondContact CA-O 3.39Å; Y336-P379 HydrophobicContact CD1-CB 4.14Å; Y336-P379 HydrophobicContact CD1-CG 4.5Å; Y336-P379 HydrophobicContact CE1-CB 3.64Å; Y336-P379 HydrophobicContact CE1-CG 4.45Å; Y336-P379 HydrophobicContact CE2-CB 4.13Å; Y336-Q405 VanDerWaalsContact CB-CD 3.49Å; Y336-Q405 HydrophobicContact CG-CG 4.36Å
337	G	96.6	Very high	95.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	90.7	-163.4	173.6	0	0	0	0	0	114.3	G341 L377	G337-G341 PolarHBondContact O-N 2.91Å; G337-L377 PolarHBondContact N-O 3.04Å; G337-L377 PolarHBondContact O-N 2.88Å; G337-L377 VanDerWaalsContact O-N 3.16Å
338	L	96.4	Very high	95.7	Very high	56 Å²	56	64.1 Å²	64.1	29%	0.293	31%	0.311	S	S	.	.	H	α-helix	trans	-72.9	-31.8	-173.5	-171.8	67.1	0	0	0	112.8	Q342 F376 E408 V412	L338-Q342 WeakPolarHBondContact O-CB 3.4Å; L338-Q342 PolarHBondContact O-N 2.94Å; L338-F376 HydrophobicContact CB-CD2 3.98Å; L338-F376 HydrophobicContact CB-CE2 4.31Å; L338-F376 HydrophobicContact CD1-CD2 4.44Å; L338-E408 PolarHBondContact N-OE1 3.03Å; L338-V412 HydrophobicContact CD1-CG1 4.41Å; L338-V412 HydrophobicContact CD2-CG1 4.14Å; L338-V412 HydrophobicContact CD2-CG2 4.49Å
339	K	95.9	Very high	95.5	Very high	181 Å²	181	65.1 Å²	65.1	79%	0.787	32%	0.317	S	S	*	.	H	α-helix	trans	-71.6	-54.1	-174	-68.6	174.2	-176.2	164.9	0	112.4	G341 Q342 A343	K339-G341 VanDerWaalsContact C-N 3.32Å; K339-Q342 PolarHBondContact O-N 2.7Å; K339-A343 PolarHBondContact O-N 3.03Å
340	G	96.5	Very high	95.3	Very high	5 Å²	5	66.2 Å²	66.2	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-37.8	176.1	0	0	0	0	0	111.7	D335 Q342 A343 F344	D335-G340 WeakPolarHBondContact O-CA 3.47Å; G340-Q342 PolarHBondContact O-N 2.75Å; G340-A343 PolarHBondContact O-N 3.35Å; G340-F344 WeakPolarHBondContact O-CB 3.13Å; G340-F344 PolarHBondContact O-N 3.48Å
341	G	97	Very high	95.2	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.1	-46.5	173.9	0	0	0	0	0	113.7	G337 K339 A343 F344 L345 C375	G337-G341 PolarHBondContact O-N 2.91Å; K339-G341 VanDerWaalsContact C-N 3.32Å; G341-A343 PolarHBondContact O-N 3.14Å; G341-F344 PolarHBondContact O-N 3.22Å; G341-L345 WeakPolarHBondContact O-CB 3.23Å; G341-L345 PolarHBondContact O-N 2.65Å; G341-C375 CarbonylContact C-O 3.3Å; G341-C375 WeakPolarHBondContact CA-O 3.27Å; G341-C375 VanDerWaalsContact O-CB 3.27Å; G341-C375 WeakPolarHBondContact O-CB 3.48Å; G341-C375 PolarHBondContact O-SG 2.91Å; G341-C375 VanDerWaalsContact O-SG 3.37Å
342	Q	96.8	Very high	94.9	Very high	62 Å²	62	69.4 Å²	69.4	29%	0.29	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-39.6	178.5	-160.9	67.2	2.6	0	0	112.6	L338 K339 G340 L345 Q346 I373	L338-Q342 WeakPolarHBondContact O-CB 3.4Å; L338-Q342 PolarHBondContact O-N 2.94Å; K339-Q342 PolarHBondContact O-N 2.7Å; G340-Q342 PolarHBondContact O-N 2.75Å; Q342-L345 PolarHBondContact O-N 2.71Å; Q342-Q346 VanDerWaalsContact O-CG 3.31Å; Q342-Q346 WeakPolarHBondContact O-CG 3.46Å; Q342-Q346 PolarHBondContact O-N 2.84Å; Q342-I373 PolarHBondContact NE2-O 3.16Å; Q342-I373 VanDerWaalsContact NE2-O 3.13Å
343	A	96.9	Very high	94.6	Very high	44 Å²	44	67.7 Å²	67.7	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-65.2	-43.4	175.9	0	0	0	0	0	112.2	Y334 K339 G340 G341 Q346 K347	Y334-A343 HydrophobicContact CD1-CB 4.06Å; Y334-A343 HydrophobicContact CE1-CB 4.25Å; K339-A343 PolarHBondContact O-N 3.03Å; G340-A343 PolarHBondContact O-N 3.35Å; G341-A343 PolarHBondContact O-N 3.14Å; A343-Q346 PolarHBondContact O-N 3.46Å; A343-K347 PolarHBondContact O-N 3.02Å
344	F	97	Very high	94.2	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.018	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-45.8	173.8	169.7	-106.5	0	0	0	112.1	N290 I291 I325 W328 Y334 G340 G341 K347 R348 L377	N290-F344 WeakPolarHBondContact OD1-CZ 3.49Å; I291-F344 HydrophobicContact CB-CE1 4.46Å; I291-F344 HydrophobicContact CD1-CD1 4.39Å; I291-F344 HydrophobicContact CD1-CE1 3.74Å; I291-F344 HydrophobicContact CG1-CE1 3.89Å; I291-F344 HydrophobicContact CG1-CZ 4.42Å; I325-F344 HydrophobicContact CG1-CE1 4.28Å; W328-F344 AromaticContact CH2-CD2 3.95Å; W328-F344 HydrophobicContact CH2-CD2 3.95Å; W328-F344 AromaticContact CH2-CE2 3.82Å; W328-F344 HydrophobicContact CH2-CE2 3.82Å; W328-F344 HydrophobicContact CH2-CZ 4.38Å; W328-F344 HydrophobicContact CZ3-CD2 4.43Å; W328-F344 AromaticContact CZ3-CE2 3.97Å; W328-F344 HydrophobicContact CZ3-CE2 3.97Å; W328-F344 HydrophobicContact CZ3-CZ 4.07Å; Y334-F344 HydrophobicContact CD1-CB 4.1Å; Y334-F344 HydrophobicContact CD2-CB 3.81Å; Y334-F344 AromaticContact CD2-CD2 3.74Å; Y334-F344 HydrophobicContact CD2-CD2 3.74Å; Y334-F344 HydrophobicContact CD2-CG 4.19Å; Y334-F344 HydrophobicContact CE2-CB 4.29Å; Y334-F344 AromaticContact CE2-CD2 3.89Å; Y334-F344 HydrophobicContact CE2-CD2 3.89Å; Y334-F344 HydrophobicContact CG-CB 3.76Å; G340-F344 WeakPolarHBondContact O-CB 3.13Å; G340-F344 PolarHBondContact O-N 3.48Å; G341-F344 PolarHBondContact O-N 3.22Å; F344-K347 WeakPolarHBondContact O-CB 3.42Å; F344-K347 PolarHBondContact O-N 3.09Å; F344-R348 HydrophobicContact CD2-CG 4.44Å; F344-R348 HydrophobicContact CE1-CG 4.2Å; F344-R348 HydrophobicContact CE2-CG 4.01Å; F344-R348 HydrophobicContact CZ-CG 3.88Å; F344-R348 WeakPolarHBondContact O-CG 3.39Å; F344-R348 PolarHBondContact O-N 3.01Å; F344-R348 VanDerWaalsContact O-N 3.07Å; F344-L377 HydrophobicContact CB-CD1 4.32Å; F344-L377 HydrophobicContact CD1-CD2 3.99Å; F344-L377 HydrophobicContact CE1-CD2 4.44Å
345	L	95.9	Very high	93.8	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-44.1	179	-177.3	71	0	0	0	111.9	I291 F323 G341 Q342 K347 R348 L349 I373 C375	I291-L345 HydrophobicContact CD1-CD1 3.69Å; F323-L345 HydrophobicContact CD2-CD1 3.59Å; F323-L345 HydrophobicContact CD2-CD2 4.22Å; F323-L345 HydrophobicContact CE2-CD1 3.86Å; F323-L345 HydrophobicContact CG-CD1 4.07Å; G341-L345 WeakPolarHBondContact O-CB 3.23Å; G341-L345 PolarHBondContact O-N 2.65Å; Q342-L345 PolarHBondContact O-N 2.71Å; L345-K347 VanDerWaalsContact C-N 3.27Å; L345-K347 PolarHBondContact O-N 3.41Å; L345-R348 PolarHBondContact O-N 2.94Å; L345-L349 HydrophobicContact CD1-CD1 3.75Å; L345-L349 HydrophobicContact CD1-CG 3.89Å; L345-L349 HydrophobicContact CD2-CD1 4.25Å; L345-L349 HydrophobicContact CG-CD1 3.88Å; L345-L349 HydrophobicContact CG-CG 4.22Å; L345-L349 PolarHBondContact O-N 2.81Å; L345-I373 HydrophobicContact CD2-CG2 3.8Å; L345-C375 HydrophobicContact CB-CB 3.58Å; L345-C375 HydrophobicContact CD1-CB 4.33Å; L345-C375 HydrophobicContact CD2-CB 3.85Å; L345-C375 HydrophobicContact CG-CB 4.11Å
346	Q	94.1	Very high	93.3	Very high	128 Å²	128	68.4 Å²	68.4	60%	0.598	34%	0.34	S	S	*	.	H	α-helix	trans	-57	-41.6	175.4	-76.2	175.4	-5	0	0	111.5	Q342 A343 R348 Q350	Q342-Q346 VanDerWaalsContact O-CG 3.31Å; Q342-Q346 WeakPolarHBondContact O-CG 3.46Å; Q342-Q346 PolarHBondContact O-N 2.84Å; A343-Q346 PolarHBondContact O-N 3.46Å; Q346-R348 VanDerWaalsContact C-N 3.35Å; Q346-R348 PolarHBondContact O-N 3.5Å; Q346-Q350 WeakPolarHBondContact O-CB 3.45Å; Q346-Q350 PolarHBondContact O-N 2.84Å; Q346-Q350 VanDerWaalsContact O-N 3.08Å
347	K	93.4	Very high	92.8	Very high	101 Å²	101	71.8 Å²	71.8	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-31.6	175.6	-175.8	177.4	179.1	-180	0	113.4	E333 Y334 A343 F344 L345	E333-K347 IonicContact OE1-NZ 2.87Å; E333-K347 PolarHBondContact OE1-NZ 3.01Å; Y334-K347 HydrophobicContact CE2-CD 4.44Å; Y334-K347 WeakPolarHBondContact OH-CD 2.93Å; Y334-K347 PolarHBondContact OH-NZ 3.27Å; A343-K347 PolarHBondContact O-N 3.02Å; F344-K347 WeakPolarHBondContact O-CB 3.42Å; F344-K347 PolarHBondContact O-N 3.09Å; L345-K347 VanDerWaalsContact C-N 3.27Å; L345-K347 PolarHBondContact O-N 3.41Å
348	R	92.2	Very high	92.1	Very high	89 Å²	89	77 Å²	77	34%	0.336	38%	0.382	S	S	.	.	H	α-helix	trans	-79.1	-45	178	-72.8	-71.9	-176.6	-144.2	-1	113.2	N290 I291 F344 L345 Q346 R363	N290-R348 PolarHBondContact ND2-NH2 2.72Å; N290-R348 PolarHBondContact OD1-NE 3.21Å; N290-R348 PolarHBondContact OD1-NH2 2.96Å; I291-R348 HydrophobicContact CB-CG 4.48Å; F344-R348 HydrophobicContact CD2-CG 4.44Å; F344-R348 HydrophobicContact CE1-CG 4.2Å; F344-R348 HydrophobicContact CE2-CG 4.01Å; F344-R348 HydrophobicContact CZ-CG 3.88Å; F344-R348 WeakPolarHBondContact O-CG 3.39Å; F344-R348 PolarHBondContact O-N 3.01Å; F344-R348 VanDerWaalsContact O-N 3.07Å; L345-R348 PolarHBondContact O-N 2.94Å; Q346-R348 VanDerWaalsContact C-N 3.35Å; Q346-R348 PolarHBondContact O-N 3.5Å; R348-R363 PolarHBondContact O-NE 2.8Å; R348-R363 PolarHBondContact O-NH2 3.26Å
349	L	91.6	Very high	91.5	Very high	34 Å²	34	76.4 Å²	76.4	18%	0.178	38%	0.379	C	S	.	.	H	α-helix	trans	-82.7	-8	-178.7	-64.8	-176	0	0	0	113.8	L296 L345 V351 R363 I366 I373	L296-L349 HydrophobicContact CD1-CD2 4.23Å; L296-L349 HydrophobicContact CD2-CD2 3.96Å; L345-L349 HydrophobicContact CD1-CD1 3.75Å; L345-L349 HydrophobicContact CD1-CG 3.89Å; L345-L349 HydrophobicContact CD2-CD1 4.25Å; L345-L349 HydrophobicContact CG-CD1 3.88Å; L345-L349 HydrophobicContact CG-CG 4.22Å; L345-L349 PolarHBondContact O-N 2.81Å; L349-V351 PolarHBondContact O-N 3.46Å; L349-V351 VanDerWaalsContact O-N 3.07Å; L349-R363 HydrophobicContact CD2-CG 4.43Å; L349-R363 WeakPolarHBondContact O-CD 3.28Å; L349-I366 HydrophobicContact CD1-CG2 4.32Å; L349-I373 HydrophobicContact CD1-CG2 4.49Å
350	Q	92	Very high	91.2	Very high	107 Å²	107	69.4 Å²	69.4	50%	0.5	35%	0.349	S	S	.	.			trans	-54.4	115.7	174.6	-172.7	178.5	43.5	0	0	111.6	Q346 K352 Q355	Q346-Q350 WeakPolarHBondContact O-CB 3.45Å; Q346-Q350 PolarHBondContact O-N 2.84Å; Q346-Q350 VanDerWaalsContact O-N 3.08Å; Q350-K352 HydrophobicContact CG-CG 4.25Å; Q350-Q355 PolarHBondContact O-NE2 3.42Å; Q350-Q355 VanDerWaalsContact O-NE2 3.1Å
351	V	91.1	Very high	90.6	Very high	56 Å²	56	71.3 Å²	71.3	34%	0.339	36%	0.358	S	S	.	.			trans	-69.5	132.5	170.3	-174.5	0	0	0	0	109.1	L349 Q360 R363 K364	L349-V351 PolarHBondContact O-N 3.46Å; L349-V351 VanDerWaalsContact O-N 3.07Å; V351-Q360 HydrophobicContact CG1-CB 3.88Å; V351-Q360 HydrophobicContact CG1-CG 3.91Å; V351-R363 HydrophobicContact CG2-CB 3.78Å; V351-K364 HydrophobicContact CG2-CG 4.26Å
352	K	89.1	Confident	90	Very high	80 Å²	80	71.5 Å²	71.5	35%	0.348	36%	0.359	S	S	.	.			trans	-133.7	134.9	-178.3	-63.3	171.9	-177.3	171.7	0	109.4	Q350 C354 Q355	Q350-K352 HydrophobicContact CG-CG 4.25Å; K352-C354 PolarHBondContact O-N 3.04Å; K352-Q355 HydrophobicContact CB-CG 4.15Å; K352-Q355 WeakPolarHBondContact O-CB 3.13Å; K352-Q355 PolarHBondContact O-N 3.2Å; K352-Q355 PolarHBondContact O-OE1 3.04Å
353	N	86.8	Confident	89.7	Confident	158 Å²	158	69 Å²	69	85%	0.845	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.6	-176.5	-58.8	2.4	0	0	0	114.1
354	C	87.6	Confident	89.2	Confident	119 Å²	119	71.4 Å²	71.4	80%	0.804	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-2.1	174.7	59.2	0	0	0	0	114.8	K352	K352-C354 PolarHBondContact O-N 3.04Å
355	Q	87.6	Confident	88.5	Confident	36 Å²	36	73.3 Å²	73.3	17%	0.168	36%	0.358	C	S	.	.	S	Bend	trans	-78.3	147.3	171.3	-72.5	160.4	-17.8	0	0	110.5	Q350 K352 L359 Q360	Q350-Q355 PolarHBondContact O-NE2 3.42Å; Q350-Q355 VanDerWaalsContact O-NE2 3.1Å; K352-Q355 HydrophobicContact CB-CG 4.15Å; K352-Q355 WeakPolarHBondContact O-CB 3.13Å; K352-Q355 PolarHBondContact O-N 3.2Å; K352-Q355 PolarHBondContact O-OE1 3.04Å; Q355-L359 HydrophobicContact CB-CB 4.25Å; Q355-Q360 HydrophobicContact CB-CG 3.78Å; Q355-Q360 PolarHBondContact O-NE2 3.37Å
356	H	88.2	Confident	88.1	Confident	115 Å²	115	73.1 Å²	73.1	53%	0.532	36%	0.357	S	S	.	.			trans	-56.2	149.5	168.2	-166.1	-123.9	0	0	0	110.8	E358 L359 Q360	H356-E358 VanDerWaalsContact C-N 3.28Å; H356-E358 VanDerWaalsContact CE1-CD 3.47Å; H356-E358 IonicContact CE1-OE1 3.67Å; H356-E358 IonicContact CE1-OE2 3.04Å; H356-E358 PolarHBondContact CE1-OE2 3.28Å; H356-E358 IonicContact ND1-OE2 3.04Å; H356-E358 PolarHBondContact ND1-OE2 3.12Å; H356-E358 PolarHBondContact O-N 2.7Å; H356-L359 HydrophobicContact CB-CD1 4.34Å; H356-L359 HydrophobicContact CB-CG 4.32Å; H356-L359 WeakPolarHBondContact O-CB 3.21Å; H356-L359 PolarHBondContact O-N 3.4Å; H356-Q360 PolarHBondContact O-N 2.99Å; H356-Q360 VanDerWaalsContact O-N 3.13Å
357	E	86.3	Confident	87.7	Confident	128 Å²	128	71.9 Å²	71.9	60%	0.598	36%	0.355	S	S	*	.	H	α-helix	trans	-59.1	-40.8	-170.7	-155.5	-162.3	129.4	0	0	112.1	L359 Q360 N361	E357-L359 VanDerWaalsContact C-N 3.34Å; E357-L359 PolarHBondContact O-N 2.71Å; E357-Q360 WeakPolarHBondContact O-CB 3.45Å; E357-Q360 PolarHBondContact O-N 2.97Å; E357-Q360 VanDerWaalsContact O-N 3.16Å; E357-N361 WeakPolarHBondContact O-CB 3.23Å; E357-N361 PolarHBondContact O-N 2.97Å; E357-N361 PolarHBondContact O-ND2 3.47Å; E357-N361 PolarHBondContact O-OD1 2.74Å; E357-N361 PolarHBondContact OE1-ND2 2.92Å
358	E	81.8	Confident	87.3	Confident	110 Å²	110	68.3 Å²	68.3	51%	0.514	34%	0.342	S	S	.	.	H	α-helix	trans	-53.9	-47	173.7	-62.2	163	156.9	0	0	112.2	H356 Q360 N361 V362	H356-E358 VanDerWaalsContact C-N 3.28Å; H356-E358 VanDerWaalsContact CE1-CD 3.47Å; H356-E358 IonicContact CE1-OE1 3.67Å; H356-E358 IonicContact CE1-OE2 3.04Å; H356-E358 PolarHBondContact CE1-OE2 3.28Å; H356-E358 IonicContact ND1-OE2 3.04Å; H356-E358 PolarHBondContact ND1-OE2 3.12Å; H356-E358 PolarHBondContact O-N 2.7Å; E358-Q360 VanDerWaalsContact C-N 3.31Å; E358-Q360 PolarHBondContact O-N 3.27Å; E358-N361 PolarHBondContact O-N 2.77Å; E358-N361 VanDerWaalsContact O-N 3.13Å; E358-V362 WeakPolarHBondContact O-CG2 3.35Å; E358-V362 PolarHBondContact O-N 3.49Å
359	L	84.7	Confident	87	Confident	43 Å²	43	64 Å²	64	23%	0.225	33%	0.326	C	S	.	.	H	α-helix	trans	-69.4	-28.8	-178.7	-60.1	-179.3	0	0	0	112.5	Q355 H356 E357 R363	Q355-L359 HydrophobicContact CB-CB 4.25Å; H356-L359 HydrophobicContact CB-CD1 4.34Å; H356-L359 HydrophobicContact CB-CG 4.32Å; H356-L359 WeakPolarHBondContact O-CB 3.21Å; H356-L359 PolarHBondContact O-N 3.4Å; E357-L359 VanDerWaalsContact C-N 3.34Å; E357-L359 PolarHBondContact O-N 2.71Å; L359-R363 WeakPolarHBondContact O-CD 3.35Å; L359-R363 WeakPolarHBondContact O-CG 3.28Å; L359-R363 PolarHBondContact O-NH1 2.93Å
360	Q	87.8	Confident	86.9	Confident	34 Å²	34	62.8 Å²	62.8	16%	0.159	32%	0.319	C	S	.	.	H	α-helix	trans	-72.6	-42.6	169.3	-59.2	-176.6	28.9	0	0	111	V351 Q355 H356 E357 E358 R363 K364	V351-Q360 HydrophobicContact CG1-CB 3.88Å; V351-Q360 HydrophobicContact CG1-CG 3.91Å; Q355-Q360 HydrophobicContact CB-CG 3.78Å; Q355-Q360 PolarHBondContact O-NE2 3.37Å; H356-Q360 PolarHBondContact O-N 2.99Å; H356-Q360 VanDerWaalsContact O-N 3.13Å; E357-Q360 WeakPolarHBondContact O-CB 3.45Å; E357-Q360 PolarHBondContact O-N 2.97Å; E357-Q360 VanDerWaalsContact O-N 3.16Å; E358-Q360 VanDerWaalsContact C-N 3.31Å; E358-Q360 PolarHBondContact O-N 3.27Å; Q360-R363 PolarHBondContact O-N 2.94Å; Q360-K364 VanDerWaalsContact O-CG 3.27Å; Q360-K364 WeakPolarHBondContact O-CG 3.44Å; Q360-K364 PolarHBondContact O-N 3.3Å
361	N	84.6	Confident	86.9	Confident	44 Å²	44	61.5 Å²	61.5	24%	0.235	32%	0.322	C	S	.	.	H	α-helix	trans	-70.4	-41.1	-174.5	-68	-11.9	0	0	0	111.3	E357 E358 R363 K364 H365	E357-N361 WeakPolarHBondContact O-CB 3.23Å; E357-N361 PolarHBondContact O-N 2.97Å; E357-N361 PolarHBondContact O-ND2 3.47Å; E357-N361 PolarHBondContact O-OD1 2.74Å; E357-N361 PolarHBondContact OE1-ND2 2.92Å; E358-N361 PolarHBondContact O-N 2.77Å; E358-N361 VanDerWaalsContact O-N 3.13Å; N361-R363 VanDerWaalsContact C-N 3.31Å; N361-R363 PolarHBondContact O-N 3.12Å; N361-K364 PolarHBondContact O-N 3.29Å; N361-K364 PolarHBondContact OD1-NZ 2.95Å; N361-H365 PolarHBondContact O-N 3.06Å; N361-H365 PolarHBondContact O-ND1 3.41Å
362	V	85.4	Confident	87	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.024	33%	0.325	C	S	.	.	H	α-helix	trans	-54.1	-47.4	170.1	169	0	0	0	0	111	L296 Q300 E358 H365 I366	L296-V362 HydrophobicContact CB-CG1 3.85Å; L296-V362 VanDerWaalsContact O-CG1 3.29Å; L296-V362 WeakPolarHBondContact O-CG1 3.44Å; Q300-V362 HydrophobicContact CB-CG2 4.12Å; Q300-V362 HydrophobicContact CG-CG2 3.93Å; E358-V362 WeakPolarHBondContact O-CG2 3.35Å; E358-V362 PolarHBondContact O-N 3.49Å; V362-H365 PolarHBondContact O-N 3.19Å; V362-I366 HydrophobicContact CG1-CD1 3.68Å; V362-I366 HydrophobicContact CG1-CG1 4.44Å; V362-I366 WeakPolarHBondContact O-CB 3.36Å; V362-I366 VanDerWaalsContact O-CG1 3.26Å; V362-I366 WeakPolarHBondContact O-CG1 3.45Å; V362-I366 PolarHBondContact O-N 3.27Å
363	R	89.5	Confident	87.3	Confident	11 Å²	11	60.5 Å²	60.5	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-47.2	178.6	-73.4	170	169.1	74.3	4.9	113.1	E293 R348 L349 V351 L359 Q360 N361 H365 I366 D367	E293-R363 VanDerWaalsContact CD-NH2 3.3Å; E293-R363 IonicContact OE1-CZ 2.72Å; E293-R363 IonicContact OE1-NH1 3.83Å; E293-R363 IonicContact OE1-NH2 3.75Å; E293-R363 PolarHBondContact OE1-NH2 3.41Å; E293-R363 IonicContact OE2-CZ 2.68Å; E293-R363 IonicContact OE2-NH1 2.73Å; E293-R363 PolarHBondContact OE2-NH1 3.21Å; E293-R363 IonicContact OE2-NH2 3.32Å; E293-R363 PolarHBondContact OE2-NH2 3.1Å; R348-R363 PolarHBondContact O-NE 2.8Å; R348-R363 PolarHBondContact O-NH2 3.26Å; L349-R363 HydrophobicContact CD2-CG 4.43Å; L349-R363 WeakPolarHBondContact O-CD 3.28Å; V351-R363 HydrophobicContact CG2-CB 3.78Å; L359-R363 WeakPolarHBondContact O-CD 3.35Å; L359-R363 WeakPolarHBondContact O-CG 3.28Å; L359-R363 PolarHBondContact O-NH1 2.93Å; Q360-R363 PolarHBondContact O-N 2.94Å; N361-R363 VanDerWaalsContact C-N 3.31Å; N361-R363 PolarHBondContact O-N 3.12Å; R363-H365 VanDerWaalsContact C-N 3.33Å; R363-H365 PolarHBondContact O-N 3.07Å; R363-I366 PolarHBondContact O-N 3.41Å; R363-D367 PolarHBondContact O-N 3.01Å
364	K	86.4	Confident	87.8	Confident	94 Å²	94	53.3 Å²	53.3	41%	0.409	28%	0.276	S	S	.	.	H	α-helix	trans	-57.3	-45.4	177.5	-69.9	164.8	-162.1	159.4	0	111.6	V351 Q360 N361 S368	V351-K364 HydrophobicContact CG2-CG 4.26Å; Q360-K364 VanDerWaalsContact O-CG 3.27Å; Q360-K364 WeakPolarHBondContact O-CG 3.44Å; Q360-K364 PolarHBondContact O-N 3.3Å; N361-K364 PolarHBondContact O-N 3.29Å; N361-K364 PolarHBondContact OD1-NZ 2.95Å; K364-S368 PolarHBondContact O-N 3.4Å; K364-S368 VanDerWaalsContact O-N 3.07Å
365	H	83.3	Confident	88.2	Confident	43 Å²	43	47.6 Å²	47.6	20%	0.199	24%	0.238	C	C	.	.	H	α-helix	trans	-79.2	-29.9	-177.8	-60.3	119	0	0	0	113.7	T303 N361 V362 R363 D367 S368 C369	T303-H365 HydrophobicContact CG2-CB 3.44Å; T303-H365 VanDerWaalsContact CG2-CB 3.44Å; N361-H365 PolarHBondContact O-N 3.06Å; N361-H365 PolarHBondContact O-ND1 3.41Å; V362-H365 PolarHBondContact O-N 3.19Å; R363-H365 VanDerWaalsContact C-N 3.33Å; R363-H365 PolarHBondContact O-N 3.07Å; H365-D367 VanDerWaalsContact C-N 3.26Å; H365-D367 PolarHBondContact O-N 3.32Å; H365-S368 WeakPolarHBondContact CA-OG 3.47Å; H365-S368 PolarHBondContact O-N 2.86Å; H365-S368 VanDerWaalsContact O-N 3.15Å; H365-S368 PolarHBondContact O-OG 2.98Å; H365-S368 VanDerWaalsContact O-OG 3.12Å; H365-C369 WeakPolarHBondContact O-CB 3.08Å; H365-C369 PolarHBondContact O-N 2.64Å; H365-C369 PolarHBondContact O-SG 3.46Å
366	I	87.3	Confident	88.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-57.2	-45.4	170.8	-77.7	169	0	0	0	109.4	L296 L299 T303 L349 V362 R363 C369 I373	L296-I366 HydrophobicContact CB-CD1 4.29Å; L296-I366 HydrophobicContact CD2-CD1 3.93Å; L299-I366 HydrophobicContact CB-CD1 4.08Å; L299-I366 HydrophobicContact CB-CG1 4.23Å; L299-I366 HydrophobicContact CD1-CD1 3.85Å; L299-I366 HydrophobicContact CD1-CG1 4.34Å; T303-I366 HydrophobicContact CG2-CG1 4.23Å; L349-I366 HydrophobicContact CD1-CG2 4.32Å; V362-I366 HydrophobicContact CG1-CD1 3.68Å; V362-I366 HydrophobicContact CG1-CG1 4.44Å; V362-I366 WeakPolarHBondContact O-CB 3.36Å; V362-I366 VanDerWaalsContact O-CG1 3.26Å; V362-I366 WeakPolarHBondContact O-CG1 3.45Å; V362-I366 PolarHBondContact O-N 3.27Å; R363-I366 PolarHBondContact O-N 3.41Å; I366-C369 PolarHBondContact O-N 3.34Å; I366-I373 HydrophobicContact CG2-CD1 3.8Å; I366-I373 WeakPolarHBondContact O-CD1 3.4Å
367	D	85.5	Confident	89.2	Confident	103 Å²	103	40.4 Å²	40.4	55%	0.551	20%	0.204	S	C	*	.	H	α-helix	trans	-61	-48.5	171.8	-172.3	85.2	0	0	0	111.7	K316 R363 H365 C369	K316-D367 WeakPolarHBondContact CE-O 3.46Å; K316-D367 PolarHBondContact NZ-O 2.99Å; K316-D367 IonicContact NZ-OD2 3.27Å; R363-D367 PolarHBondContact O-N 3.01Å; H365-D367 VanDerWaalsContact C-N 3.26Å; H365-D367 PolarHBondContact O-N 3.32Å; D367-C369 VanDerWaalsContact C-N 3.26Å; D367-C369 PolarHBondContact O-N 2.88Å
368	S	84.8	Confident	89.8	Confident	25 Å²	25	34.3 Å²	34.3	18%	0.175	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-31	-177.5	85	0	0	0	0	113.7	K316 K364 H365	K316-S368 WeakPolarHBondContact CD-O 3.36Å; K316-S368 WeakPolarHBondContact CE-O 3.45Å; K316-S368 WeakPolarHBondContact CG-O 3.25Å; K364-S368 PolarHBondContact O-N 3.4Å; K364-S368 VanDerWaalsContact O-N 3.07Å; H365-S368 WeakPolarHBondContact CA-OG 3.47Å; H365-S368 PolarHBondContact O-N 2.86Å; H365-S368 VanDerWaalsContact O-N 3.15Å; H365-S368 PolarHBondContact O-OG 2.98Å; H365-S368 VanDerWaalsContact O-OG 3.12Å
369	C	86.1	Confident	90.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-84.9	-25	-171.1	-65.7	0	0	0	0	115	P317 F318 H365 I366 D367	P317-C369 VanDerWaalsContact CD-O 3.28Å; P317-C369 WeakPolarHBondContact CD-O 3.4Å; P317-C369 HydrophobicContact CG-CB 4.2Å; P317-C369 VanDerWaalsContact CG-O 3.32Å; P317-C369 WeakPolarHBondContact CG-O 3.31Å; F318-C369 WeakPolarHBondContact CB-O 3.44Å; F318-C369 HydrophobicContact CD2-CB 4.02Å; F318-C369 HydrophobicContact CE2-CB 4.41Å; F318-C369 PolarHBondContact N-O 2.96Å; H365-C369 WeakPolarHBondContact O-CB 3.08Å; H365-C369 PolarHBondContact O-N 2.64Å; H365-C369 PolarHBondContact O-SG 3.46Å; I366-C369 PolarHBondContact O-N 3.34Å; D367-C369 VanDerWaalsContact C-N 3.26Å; D367-C369 PolarHBondContact O-N 2.88Å
370	F	90	Very high	91	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.035	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137	-175.3	-67.8	-88.6	0	0	0	112.6	T277 K316 F318 L321 I373	T277-F370 HydrophobicContact CG2-CE1 4.07Å; T277-F370 HydrophobicContact CG2-CZ 3.93Å; K316-F370 VanDerWaalsContact CD-C 3.49Å; K316-F370 WeakPolarHBondContact CD-O 3.42Å; K316-F370 PolarHBondContact NZ-O 2.91Å; F318-F370 HydrophobicContact CB-CD1 3.36Å; F318-F370 HydrophobicContact CB-CE1 3.39Å; F318-F370 HydrophobicContact CB-CG 4.08Å; F318-F370 HydrophobicContact CB-CZ 4.14Å; F318-F370 HydrophobicContact CD2-CD1 4.4Å; F318-F370 AromaticContact CD2-CE1 3.95Å; F318-F370 HydrophobicContact CD2-CE1 3.95Å; F318-F370 HydrophobicContact CD2-CE2 4.11Å; F318-F370 AromaticContact CD2-CZ 3.79Å; F318-F370 HydrophobicContact CD2-CZ 3.79Å; F318-F370 HydrophobicContact CG-CD1 4.25Å; F318-F370 AromaticContact CG-CE1 3.85Å; F318-F370 HydrophobicContact CG-CE1 3.85Å; F318-F370 HydrophobicContact CG-CZ 4.15Å; F318-F370 WeakPolarHBondContact O-CA 3.38Å; L321-F370 HydrophobicContact CB-CB 4.48Å; L321-F370 HydrophobicContact CB-CD1 3.62Å; L321-F370 HydrophobicContact CB-CD2 4.42Å; L321-F370 HydrophobicContact CB-CE1 3.87Å; L321-F370 HydrophobicContact CB-CG 3.93Å; L321-F370 HydrophobicContact CB-CZ 4.38Å; L321-F370 HydrophobicContact CD2-CD2 4.06Å; L321-F370 HydrophobicContact CD2-CE1 4.42Å; L321-F370 HydrophobicContact CD2-CE2 3.9Å; L321-F370 HydrophobicContact CD2-CG 4.4Å; L321-F370 HydrophobicContact CD2-CZ 4.09Å; F370-I373 HydrophobicContact CB-CD1 4.11Å; F370-I373 HydrophobicContact CB-CG1 3.75Å
371	S	91.1	Very high	91.3	Very high	80 Å²	80	29.4 Å²	29.4	56%	0.559	15%	0.153	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	-31.4	178.3	78	0	0	0	0	113.6	F318 Q319	F318-S371 PolarHBondContact O-N 3.39Å; Q319-S371 WeakPolarHBondContact CA-OG 3.48Å; Q319-S371 PolarHBondContact O-N 3.18Å; Q319-S371 PolarHBondContact O-OG 3.25Å; Q319-S371 VanDerWaalsContact O-OG 3.1Å
372	K	94.1	Very high	91.7	Very high	89 Å²	89	27.4 Å²	27.4	39%	0.387	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.4	175.5	-177.7	-179.6	179	-175.3	0	108.4	Q319 S320 L321	Q319-K372 PolarHBondContact O-N 3.15Å; S320-K372 WeakPolarHBondContact CA-O 3.38Å; L321-K372 PolarHBondContact N-O 3.27Å
373	I	94.6	Very high	92	Very high	26 Å²	26	33 Å²	33	13%	0.133	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.9	171.3	-44.9	-178.2	0	0	0	108.4	L321 F323 Q342 L345 L349 I366 F370	L321-I373 HydrophobicContact CB-CG2 4.43Å; L321-I373 HydrophobicContact CD2-CG2 4.39Å; L321-I373 WeakPolarHBondContact O-CA 3.4Å; F323-I373 HydrophobicContact CD2-CG2 4.11Å; F323-I373 HydrophobicContact CE2-CG2 3.83Å; Q342-I373 PolarHBondContact NE2-O 3.16Å; Q342-I373 VanDerWaalsContact NE2-O 3.13Å; L345-I373 HydrophobicContact CD2-CG2 3.8Å; L349-I373 HydrophobicContact CD1-CG2 4.49Å; I366-I373 HydrophobicContact CG2-CD1 3.8Å; I366-I373 WeakPolarHBondContact O-CD1 3.4Å; F370-I373 HydrophobicContact CB-CD1 4.11Å; F370-I373 HydrophobicContact CB-CG1 3.75Å
374	S	96.4	Very high	92.1	Very high	6 Å²	6	37.2 Å²	37.2	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	160.6	-175.4	54.8	0	0	0	0	111	L321 M322 F323	L321-S374 PolarHBondContact O-N 2.93Å; L321-S374 PolarHBondContact O-OG 2.81Å; L321-S374 VanDerWaalsContact O-OG 3.06Å; M322-S374 CarbonylContact C-O 3.47Å; M322-S374 WeakPolarHBondContact CA-O 3.3Å; M322-S374 WeakPolarHBondContact CA-OG 3.47Å; M322-S374 WeakPolarHBondContact CB-OG 3.37Å; F323-S374 PolarHBondContact N-O 3.36Å
375	C	97.9	Very high	92.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	140.2	174.3	175.1	0	0	0	0	110.6	F323 G341 L345	F323-C375 HydrophobicContact CB-CB 4.07Å; F323-C375 CarbonylContact O-C 3.54Å; F323-C375 VanDerWaalsContact O-CA 3.23Å; F323-C375 WeakPolarHBondContact O-CA 3.5Å; G341-C375 CarbonylContact C-O 3.3Å; G341-C375 WeakPolarHBondContact CA-O 3.27Å; G341-C375 VanDerWaalsContact O-CB 3.27Å; G341-C375 WeakPolarHBondContact O-CB 3.48Å; G341-C375 PolarHBondContact O-SG 2.91Å; G341-C375 VanDerWaalsContact O-SG 3.37Å; L345-C375 HydrophobicContact CB-CB 3.58Å; L345-C375 HydrophobicContact CD1-CB 4.33Å; L345-C375 HydrophobicContact CD2-CB 3.85Å; L345-C375 HydrophobicContact CG-CB 4.11Å
376	F	98.4	Very high	92.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.5	-179.9	-165.7	-77.1	0	0	0	109.3	M322 F323 L324 I325 L338 L378 Q405 E408 L409	M322-F376 HydrophobicContact SD-CB 4.12Å; F323-F376 PolarHBondContact O-N 2.77Å; L324-F376 HydrophobicContact CD1-CB 4.06Å; L324-F376 HydrophobicContact CD1-CD1 3.93Å; L324-F376 HydrophobicContact CD1-CG 4.36Å; I325-F376 PolarHBondContact N-O 2.67Å; L338-F376 HydrophobicContact CB-CD2 3.98Å; L338-F376 HydrophobicContact CB-CE2 4.31Å; L338-F376 HydrophobicContact CD1-CD2 4.44Å; F376-L378 HydrophobicContact CD1-CB 4.43Å; F376-L378 HydrophobicContact CD1-CD1 4.42Å; F376-L378 HydrophobicContact CE1-CD1 3.82Å; F376-Q405 HydrophobicContact CE1-CB 4.42Å; F376-Q405 VanDerWaalsContact CZ-O 3.28Å; F376-Q405 WeakPolarHBondContact CZ-O 3.13Å; F376-E408 HydrophobicContact CE2-CB 4.39Å; F376-E408 HydrophobicContact CE2-CG 4.13Å; F376-E408 HydrophobicContact CZ-CB 4.2Å; F376-E408 HydrophobicContact CZ-CG 4.39Å; F376-L409 HydrophobicContact CB-CD1 4.26Å; F376-L409 HydrophobicContact CD1-CD1 4.08Å; F376-L409 HydrophobicContact CD1-CD2 4.43Å; F376-L409 HydrophobicContact CD2-CD1 3.78Å; F376-L409 HydrophobicContact CE1-CB 4Å; F376-L409 HydrophobicContact CE1-CD1 4.38Å; F376-L409 HydrophobicContact CE1-CD2 4.46Å; F376-L409 HydrophobicContact CE2-CB 4.03Å; F376-L409 HydrophobicContact CE2-CD1 4.1Å; F376-L409 HydrophobicContact CG-CD1 3.78Å; F376-L409 HydrophobicContact CZ-CB 3.72Å; F376-L409 HydrophobicContact CZ-CD1 4.38Å
377	L	98.1	Very high	92.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	110.9	-180	-56.1	179.3	0	0	0	109.5	I325 W328 Y336 G337 F344	I325-L377 HydrophobicContact CB-CD2 3.69Å; I325-L377 HydrophobicContact CG1-CD2 3.6Å; I325-L377 HydrophobicContact CG2-CD2 4.35Å; W328-L377 HydrophobicContact CB-CB 4.24Å; W328-L377 HydrophobicContact CD2-CB 4.49Å; W328-L377 HydrophobicContact CD2-CD1 4.11Å; W328-L377 HydrophobicContact CD2-CD2 4.17Å; W328-L377 HydrophobicContact CD2-CG 4.47Å; W328-L377 HydrophobicContact CE3-CD2 4.25Å; W328-L377 HydrophobicContact CG-CB 3.97Å; W328-L377 HydrophobicContact CG-CD1 4.33Å; W328-L377 HydrophobicContact CG-CD2 4.44Å; W328-L377 HydrophobicContact CG-CG 4.44Å; W328-L377 HydrophobicContact CZ2-CD1 4.2Å; Y336-L377 WeakPolarHBondContact CA-O 3.39Å; G337-L377 PolarHBondContact N-O 3.04Å; G337-L377 PolarHBondContact O-N 2.88Å; G337-L377 VanDerWaalsContact O-N 3.16Å; F344-L377 HydrophobicContact CB-CD1 4.32Å; F344-L377 HydrophobicContact CD1-CD2 3.99Å; F344-L377 HydrophobicContact CE1-CD2 4.44Å
378	L	97.4	Very high	92.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.			trans	-103.8	132	-178.1	-162.5	70.9	0	0	0	109.3	L324 I325 D327 W328 F376 F402 Q405 L409	L324-L378 HydrophobicContact CD1-CB 4.13Å; L324-L378 HydrophobicContact CD1-CD2 4.43Å; I325-L378 PolarHBondContact O-N 3.19Å; D327-L378 PolarHBondContact N-O 3.43Å; D327-L378 VanDerWaalsContact N-O 3.14Å; W328-L378 WeakPolarHBondContact CB-O 3.49Å; W328-L378 PolarHBondContact N-O 3.41Å; F376-L378 HydrophobicContact CD1-CB 4.43Å; F376-L378 HydrophobicContact CD1-CD1 4.42Å; F376-L378 HydrophobicContact CE1-CD1 3.82Å; L378-F402 HydrophobicContact CD1-CE2 4.38Å; L378-F402 HydrophobicContact CD2-CD2 4.25Å; L378-F402 HydrophobicContact CD2-CE2 3.38Å; L378-F402 HydrophobicContact CD2-CZ 3.74Å; L378-F402 HydrophobicContact CG-CD2 4.04Å; L378-F402 HydrophobicContact CG-CE2 3.67Å; L378-F402 HydrophobicContact CG-CZ 4.38Å; L378-Q405 HydrophobicContact CD1-CB 3.83Å; L378-L409 HydrophobicContact CD1-CD2 4.45Å
379	P	97.1	Very high	93	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.026	25%	0.247	C	C	.	.			trans	-64.2	174	176.4	27.7	-36	0	0	0	111.9	Y336 D401 F402 Q405	Y336-P379 HydrophobicContact CD1-CB 4.14Å; Y336-P379 HydrophobicContact CD1-CG 4.5Å; Y336-P379 HydrophobicContact CE1-CB 3.64Å; Y336-P379 HydrophobicContact CE1-CG 4.45Å; Y336-P379 HydrophobicContact CE2-CB 4.13Å; P379-D401 HydrophobicContact CG-CB 4.23Å; P379-F402 HydrophobicContact CG-CB 4.1Å; P379-F402 HydrophobicContact CG-CD2 4.26Å; P379-F402 WeakPolarHBondContact O-CD2 3.3Å; P379-Q405 HydrophobicContact CG-CB 4.31Å; P379-Q405 HydrophobicContact CG-CG 4.31Å
380	H	95.8	Very high	93.1	Very high	71 Å²	71	51.9 Å²	51.9	33%	0.329	29%	0.285	S	S	.	.			trans	-72	133.8	170	180	-97.9	0	0	0	110.6	D327 G382	D327-H380 HydrophobicContact CB-CB 4.28Å; D327-H380 WeakPolarHBondContact OD1-CA 3.35Å; D327-H380 IonicContact OD1-CD2 3.73Å; D327-H380 PolarHBondContact OD1-CD2 3.46Å; H380-G382 PolarHBondContact CE1-O 3.2Å; H380-G382 PolarHBondContact ND1-N 3.04Å; H380-G382 PolarHBondContact O-N 3.14Å
381	P	94.2	Very high	93.1	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.058	29%	0.288	C	S	.	.			trans	-73.6	-8.9	-171.8	29.5	-37.2	0	0	0	115.3	D327 V385 I398 E399 F402	D327-P381 WeakPolarHBondContact OD1-CD 3.32Å; P381-V385 HydrophobicContact CB-CB 4.08Å; P381-V385 HydrophobicContact CB-CG1 3.94Å; P381-V385 HydrophobicContact CB-CG2 4.11Å; P381-V385 HydrophobicContact CG-CB 4.07Å; P381-V385 HydrophobicContact CG-CG1 3.81Å; P381-V385 WeakPolarHBondContact O-CG2 3.42Å; P381-I398 WeakPolarHBondContact O-CA 3.31Å; P381-E399 PolarHBondContact O-N 3.03Å; P381-E399 VanDerWaalsContact O-N 3.07Å; P381-F402 HydrophobicContact CB-CD1 4.2Å; P381-F402 HydrophobicContact CB-CD2 3.65Å; P381-F402 HydrophobicContact CB-CE1 4.24Å; P381-F402 HydrophobicContact CB-CE2 3.7Å; P381-F402 HydrophobicContact CB-CG 3.9Å; P381-F402 HydrophobicContact CB-CZ 4.01Å; P381-F402 HydrophobicContact CG-CE2 4.35Å
382	G	93.3	Very high	93.1	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.01	27%	0.274	C	S	.	.			trans	122.2	147	178.6	0	0	0	0	0	112.9	H380 K384 V385 A386 E399	H380-G382 PolarHBondContact CE1-O 3.2Å; H380-G382 PolarHBondContact ND1-N 3.04Å; H380-G382 PolarHBondContact O-N 3.14Å; G382-K384 PolarHBondContact O-N 2.8Å; G382-V385 WeakPolarHBondContact O-CB 3.37Å; G382-V385 PolarHBondContact O-N 2.97Å; G382-V385 VanDerWaalsContact O-N 3.11Å; G382-A386 PolarHBondContact O-N 3.04Å; G382-A386 VanDerWaalsContact O-N 3.16Å; G382-E399 VanDerWaalsContact CA-CG 3.43Å; G382-E399 WeakPolarHBondContact CA-OE1 3.46Å
383	L	91.9	Very high	92.8	Very high	123 Å²	123	46.9 Å²	46.9	64%	0.644	26%	0.255	S	S	*	.	H	α-helix	trans	-62.2	-29.8	-179.3	-68.9	176.1	0	0	0	112	A386 T387	L383-A386 PolarHBondContact O-N 2.75Å; L383-T387 WeakPolarHBondContact O-CB 3.37Å; L383-T387 PolarHBondContact O-N 3.35Å; L383-T387 PolarHBondContact O-OG1 3.37Å
384	K	91.3	Very high	92.7	Very high	98 Å²	98	49.2 Å²	49.2	43%	0.426	26%	0.262	S	S	.	.	H	α-helix	trans	-56.6	-52.6	171.6	-64.6	178.2	178.6	-178.1	0	111.3	G382 A386 T387 N388 K396 D397	G382-K384 PolarHBondContact O-N 2.8Å; K384-A386 VanDerWaalsContact C-N 3.33Å; K384-A386 PolarHBondContact O-N 3.48Å; K384-T387 PolarHBondContact O-N 2.71Å; K384-N388 WeakPolarHBondContact O-CB 3.41Å; K384-N388 PolarHBondContact O-N 3.05Å; K384-K396 PolarHBondContact NZ-O 2.91Å; K384-D397 HydrophobicContact CB-CB 4.49Å; K384-D397 HydrophobicContact CD-CB 3.79Å; K384-D397 VanDerWaalsContact CD-OD1 3.31Å; K384-D397 WeakPolarHBondContact CD-OD1 3.24Å; K384-D397 WeakPolarHBondContact CE-OD1 3.33Å; K384-D397 IonicContact NZ-OD1 2.59Å; K384-D397 PolarHBondContact NZ-OD1 3.46Å
385	V	90.4	Very high	92.6	Very high	26 Å²	26	49.3 Å²	49.3	16%	0.158	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-42.8	-179.2	-178.5	0	0	0	0	111.4	F191 P381 G382 F391 D397 I398	F191-V385 HydrophobicContact CZ-CG1 4.21Å; P381-V385 HydrophobicContact CB-CB 4.08Å; P381-V385 HydrophobicContact CB-CG1 3.94Å; P381-V385 HydrophobicContact CB-CG2 4.11Å; P381-V385 HydrophobicContact CG-CB 4.07Å; P381-V385 HydrophobicContact CG-CG1 3.81Å; P381-V385 WeakPolarHBondContact O-CG2 3.42Å; G382-V385 WeakPolarHBondContact O-CB 3.37Å; G382-V385 PolarHBondContact O-N 2.97Å; G382-V385 VanDerWaalsContact O-N 3.11Å; V385-F391 HydrophobicContact CB-CE1 4.25Å; V385-F391 HydrophobicContact CB-CZ 4.28Å; V385-F391 HydrophobicContact CG1-CD1 4.19Å; V385-F391 HydrophobicContact CG1-CE1 3.66Å; V385-F391 HydrophobicContact CG1-CZ 4Å; V385-F391 HydrophobicContact CG2-CE1 4.21Å; V385-F391 HydrophobicContact CG2-CE2 3.92Å; V385-F391 HydrophobicContact CG2-CZ 3.74Å; V385-D397 WeakPolarHBondContact CG2-O 3.43Å; V385-I398 HydrophobicContact CG2-CB 4.4Å; V385-I398 HydrophobicContact CG2-CG1 3.85Å
386	A	88.9	Confident	92.3	Very high	64 Å²	64	54 Å²	54	53%	0.529	28%	0.283	S	S	.	.	H	α-helix	trans	-75.8	-27.3	-176.5	0	0	0	0	0	114.5	G382 L383 K384	G382-A386 PolarHBondContact O-N 3.04Å; G382-A386 VanDerWaalsContact O-N 3.16Å; L383-A386 PolarHBondContact O-N 2.75Å; K384-A386 VanDerWaalsContact C-N 3.33Å; K384-A386 PolarHBondContact O-N 3.48Å
387	T	89.1	Confident	92.1	Very high	105 Å²	105	55.6 Å²	55.6	64%	0.644	29%	0.291	S	S	*	.	H	α-helix	trans	-124.2	-19	-167.3	67.7	0	0	0	0	116.1	L383 K384 P389	L383-T387 WeakPolarHBondContact O-CB 3.37Å; L383-T387 PolarHBondContact O-N 3.35Å; L383-T387 PolarHBondContact O-OG1 3.37Å; K384-T387 PolarHBondContact O-N 2.71Å; T387-P389 VanDerWaalsContact O-CD 3.29Å; T387-P389 WeakPolarHBondContact O-CD 3.39Å
388	N	89.3	Confident	91.9	Very high	67 Å²	67	55.9 Å²	55.9	36%	0.358	29%	0.293	S	S	.	.			trans	-82.9	113.8	-176.6	-179.9	6.6	0	0	0	111.2	K384 K390 F391	K384-N388 WeakPolarHBondContact O-CB 3.41Å; K384-N388 PolarHBondContact O-N 3.05Å; N388-K390 PolarHBondContact O-N 3.35Å; N388-K390 PolarHBondContact OD1-N 3.27Å; N388-F391 HydrophobicContact CB-CB 4.18Å; N388-F391 WeakPolarHBondContact O-CB 3.19Å; N388-F391 PolarHBondContact O-N 3.45Å; N388-F391 VanDerWaalsContact O-N 3.12Å
389	P	87.1	Confident	91.8	Very high	131 Å²	131	60.4 Å²	60.4	85%	0.851	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-5.6	179.5	31.2	-37.2	0	0	0	113.8	T387	T387-P389 VanDerWaalsContact O-CD 3.29Å; T387-P389 WeakPolarHBondContact O-CD 3.39Å
390	K	89.6	Confident	91.7	Very high	182 Å²	182	65.5 Å²	65.5	79%	0.791	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	10.6	175.4	-58.4	-176.5	179.7	-179.1	0	113.2	N388 D392	N388-K390 PolarHBondContact O-N 3.35Å; N388-K390 PolarHBondContact OD1-N 3.27Å; K390-D392 PolarHBondContact O-N 3.09Å
391	F	90.3	Very high	91.7	Very high	21 Å²	21	66.9 Å²	66.9	9%	0.092	35%	0.351	C	S	.	.			trans	-72.2	126.3	176.2	172.8	-104.8	0	0	0	110.8	F191 W221 V385 N388 D397 I398	F191-F391 HydrophobicContact CD2-CE1 4.46Å; F191-F391 AromaticContact CE2-CE1 3.66Å; F191-F391 HydrophobicContact CE2-CE1 3.66Å; F191-F391 AromaticContact CE2-CZ 3.97Å; F191-F391 HydrophobicContact CE2-CZ 3.97Å; F191-F391 HydrophobicContact CZ-CE1 4.28Å; F191-F391 HydrophobicContact CZ-CZ 4.32Å; W221-F391 AromaticContact CH2-CD1 3.66Å; W221-F391 HydrophobicContact CH2-CD1 3.66Å; W221-F391 AromaticContact CH2-CE1 3.62Å; W221-F391 HydrophobicContact CH2-CE1 3.62Å; W221-F391 AromaticContact CZ3-CD1 3.82Å; W221-F391 HydrophobicContact CZ3-CD1 3.82Å; W221-F391 AromaticContact CZ3-CE1 3.97Å; W221-F391 HydrophobicContact CZ3-CE1 3.97Å; V385-F391 HydrophobicContact CB-CE1 4.25Å; V385-F391 HydrophobicContact CB-CZ 4.28Å; V385-F391 HydrophobicContact CG1-CD1 4.19Å; V385-F391 HydrophobicContact CG1-CE1 3.66Å; V385-F391 HydrophobicContact CG1-CZ 4Å; V385-F391 HydrophobicContact CG2-CE1 4.21Å; V385-F391 HydrophobicContact CG2-CE2 3.92Å; V385-F391 HydrophobicContact CG2-CZ 3.74Å; N388-F391 HydrophobicContact CB-CB 4.18Å; N388-F391 WeakPolarHBondContact O-CB 3.19Å; N388-F391 PolarHBondContact O-N 3.45Å; N388-F391 VanDerWaalsContact O-N 3.12Å; F391-D397 HydrophobicContact CD2-CB 4.08Å; F391-D397 HydrophobicContact CE2-CB 4.02Å; F391-I398 HydrophobicContact CE2-CG1 4.08Å; F391-I398 HydrophobicContact CZ-CD1 4.11Å; F391-I398 HydrophobicContact CZ-CG1 3.89Å
392	D	89.2	Confident	91.7	Very high	51 Å²	51	66.5 Å²	66.5	27%	0.273	35%	0.348	S	S	.	.			trans	-120.6	23.2	-174.6	63	-10.6	0	0	0	112.9	P215 L216 K390 R394	P215-D392 CarbonylContact C-O 3.58Å; P215-D392 WeakPolarHBondContact CA-O 3.47Å; P215-D392 HydrophobicContact CB-CB 4.34Å; P215-D392 WeakPolarHBondContact CB-O 3.27Å; L216-D392 PolarHBondContact N-O 3.42Å; K390-D392 PolarHBondContact O-N 3.09Å; D392-R394 VanDerWaalsContact CG-NE 3.25Å; D392-R394 WeakPolarHBondContact OD1-CD 3.43Å; D392-R394 WeakPolarHBondContact OD1-CG 3.38Å; D392-R394 IonicContact OD1-CZ 3.86Å; D392-R394 IonicContact OD1-NE 2.73Å; D392-R394 PolarHBondContact OD1-NE 3.47Å; D392-R394 IonicContact OD2-CZ 3.49Å; D392-R394 IonicContact OD2-NE 2.77Å; D392-R394 PolarHBondContact OD2-NE 3.23Å; D392-R394 IonicContact OD2-NH2 3.94Å; D392-R394 PolarHBondContact OD2-NH2 3.39Å
393	G	89.4	Confident	91.8	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.355	C	S	.	.			trans	89	1.9	169.3	0	0	0	0	0	116.5
394	R	92.8	Very high	92	Very high	74 Å²	74	66.5 Å²	66.5	28%	0.279	35%	0.35	S	S	.	.			trans	-65.2	135.3	-178.7	-63.2	174.7	-153.5	-122.8	7	112.6	H213 D392 K396 D397	H213-R394 PolarHBondContact O-NH1 2.93Å; D392-R394 VanDerWaalsContact CG-NE 3.25Å; D392-R394 WeakPolarHBondContact OD1-CD 3.43Å; D392-R394 WeakPolarHBondContact OD1-CG 3.38Å; D392-R394 IonicContact OD1-CZ 3.86Å; D392-R394 IonicContact OD1-NE 2.73Å; D392-R394 PolarHBondContact OD1-NE 3.47Å; D392-R394 IonicContact OD2-CZ 3.49Å; D392-R394 IonicContact OD2-NE 2.77Å; D392-R394 PolarHBondContact OD2-NE 3.23Å; D392-R394 IonicContact OD2-NH2 3.94Å; D392-R394 PolarHBondContact OD2-NH2 3.39Å; R394-K396 VanDerWaalsContact C-N 3.28Å; R394-K396 HydrophobicContact CB-CG 4.21Å; R394-K396 PolarHBondContact O-N 3.3Å; R394-D397 PolarHBondContact O-N 3.31Å; R394-D397 VanDerWaalsContact O-N 3.13Å
395	L	92.6	Very high	92.2	Very high	8 Å²	8	63.1 Å²	63.1	4%	0.042	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-63.1	-28.1	-174.7	-54.3	179.7	0	0	0	114.3	F195 I209 G210 D397 I398 K403	F195-L395 HydrophobicContact CE1-CD2 3.77Å; F195-L395 HydrophobicContact CZ-CD2 3.95Å; I209-L395 HydrophobicContact CB-CD1 4.44Å; I209-L395 HydrophobicContact CD1-CD1 4.5Å; I209-L395 HydrophobicContact CD1-CD2 4.41Å; I209-L395 HydrophobicContact CG1-CD1 3.99Å; I209-L395 HydrophobicContact CG1-CD2 4.07Å; I209-L395 HydrophobicContact CG2-CD1 3.93Å; G210-L395 WeakPolarHBondContact O-CD1 3.44Å; L395-D397 PolarHBondContact O-N 3.22Å; L395-D397 VanDerWaalsContact O-N 3.1Å; L395-I398 HydrophobicContact CD2-CD1 4.11Å; L395-I398 PolarHBondContact O-N 3.01Å; L395-I398 VanDerWaalsContact O-N 3.12Å; L395-K403 HydrophobicContact CB-CD 3.97Å; L395-K403 PolarHBondContact O-NZ 3.33Å; L395-K403 VanDerWaalsContact O-NZ 3.16Å
396	K	92.8	Very high	92.4	Very high	98 Å²	98	61.9 Å²	61.9	43%	0.426	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-59.3	-19.4	175.3	74.9	-179	-166.4	178.4	0	114.5	D212 K384 R394	D212-K396 HydrophobicContact CB-CB 4.42Å; D212-K396 WeakPolarHBondContact O-CB 3.43Å; D212-K396 WeakPolarHBondContact O-CG 3.48Å; D212-K396 PolarHBondContact O-N 3Å; K384-K396 PolarHBondContact NZ-O 2.91Å; R394-K396 VanDerWaalsContact C-N 3.28Å; R394-K396 HydrophobicContact CB-CG 4.21Å; R394-K396 PolarHBondContact O-N 3.3Å
397	D	92.6	Very high	92.7	Very high	34 Å²	34	60.8 Å²	60.8	18%	0.182	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-110.1	9.6	-177.1	-70.3	-48.8	0	0	0	112.5	K384 V385 F391 R394 L395	K384-D397 HydrophobicContact CB-CB 4.49Å; K384-D397 HydrophobicContact CD-CB 3.79Å; K384-D397 VanDerWaalsContact CD-OD1 3.31Å; K384-D397 WeakPolarHBondContact CD-OD1 3.24Å; K384-D397 WeakPolarHBondContact CE-OD1 3.33Å; K384-D397 IonicContact NZ-OD1 2.59Å; K384-D397 PolarHBondContact NZ-OD1 3.46Å; V385-D397 WeakPolarHBondContact CG2-O 3.43Å; F391-D397 HydrophobicContact CD2-CB 4.08Å; F391-D397 HydrophobicContact CE2-CB 4.02Å; R394-D397 PolarHBondContact O-N 3.31Å; R394-D397 VanDerWaalsContact O-N 3.13Å; L395-D397 PolarHBondContact O-N 3.22Å; L395-D397 VanDerWaalsContact O-N 3.1Å
398	I	94.8	Very high	93	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	31%	0.307	C	S	.	.	S	Bend	trans	-113.1	138.8	175.7	-54.7	176.7	0	0	0	108.8	F191 F195 P381 V385 F391 L395 F402 K403	F191-I398 HydrophobicContact CZ-CD1 4.09Å; F195-I398 HydrophobicContact CE2-CD1 4.46Å; F195-I398 HydrophobicContact CZ-CD1 3.99Å; P381-I398 WeakPolarHBondContact O-CA 3.31Å; V385-I398 HydrophobicContact CG2-CB 4.4Å; V385-I398 HydrophobicContact CG2-CG1 3.85Å; F391-I398 HydrophobicContact CE2-CG1 4.08Å; F391-I398 HydrophobicContact CZ-CD1 4.11Å; F391-I398 HydrophobicContact CZ-CG1 3.89Å; L395-I398 HydrophobicContact CD2-CD1 4.11Å; L395-I398 PolarHBondContact O-N 3.01Å; L395-I398 VanDerWaalsContact O-N 3.12Å; I398-F402 HydrophobicContact CG2-CB 4.08Å; I398-F402 HydrophobicContact CG2-CD1 3.47Å; I398-F402 VanDerWaalsContact CG2-CD1 3.47Å; I398-F402 HydrophobicContact CG2-CE1 4.25Å; I398-F402 HydrophobicContact CG2-CG 4.05Å; I398-K403 HydrophobicContact CB-CD 4.33Å; I398-K403 HydrophobicContact CB-CG 4.33Å; I398-K403 HydrophobicContact CG2-CG 3.99Å; I398-K403 VanDerWaalsContact O-CE 3.24Å; I398-K403 WeakPolarHBondContact O-CE 3.34Å; I398-K403 PolarHBondContact O-NZ 2.88Å
399	E	95.3	Very high	93.3	Very high	96 Å²	96	56.4 Å²	56.4	45%	0.449	29%	0.29	S	S	.	.			trans	-64.6	150.1	-178.9	-53.9	-60.2	160.1	0	0	113.1	P381 G382 F402 K403	P381-E399 PolarHBondContact O-N 3.03Å; P381-E399 VanDerWaalsContact O-N 3.07Å; G382-E399 VanDerWaalsContact CA-CG 3.43Å; G382-E399 WeakPolarHBondContact CA-OE1 3.46Å; E399-F402 WeakPolarHBondContact O-CB 3.43Å; E399-F402 PolarHBondContact O-N 2.96Å; E399-K403 WeakPolarHBondContact O-CE 3.31Å; E399-K403 PolarHBondContact O-N 2.82Å; E399-K403 VanDerWaalsContact O-N 3.08Å
400	D	95.1	Very high	93.7	Very high	110 Å²	110	50.2 Å²	50.2	59%	0.588	25%	0.249	S	C	*	.	H	α-helix	trans	-68.7	-37	-175	-63.7	-37.7	0	0	0	113.4	F402 K403 T404	D400-F402 VanDerWaalsContact C-N 3.27Å; D400-F402 PolarHBondContact O-N 2.88Å; D400-K403 PolarHBondContact O-N 2.79Å; D400-K403 WeakPolarHBondContact OD1-CE 3.33Å; D400-K403 IonicContact OD1-NZ 3.96Å; D400-K403 PolarHBondContact OD1-NZ 2.98Å; D400-T404 WeakPolarHBondContact O-CB 3.32Å; D400-T404 PolarHBondContact O-N 2.88Å; D400-T404 PolarHBondContact O-OG1 2.7Å
401	D	95.3	Very high	93.9	Very high	101 Å²	101	43.6 Å²	43.6	54%	0.54	23%	0.225	S	C	.	.	H	α-helix	trans	-58.6	-40.5	171.9	-75	-5.7	0	0	0	111.3	P379 T404 Q405	P379-D401 HydrophobicContact CG-CB 4.23Å; D401-T404 PolarHBondContact O-N 3.48Å; D401-Q405 WeakPolarHBondContact O-CB 3.14Å; D401-Q405 VanDerWaalsContact O-CG 3.31Å; D401-Q405 WeakPolarHBondContact O-CG 3.49Å; D401-Q405 PolarHBondContact O-N 3.36Å
402	F	95.8	Very high	94.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68	-45	178.1	-173.2	-85.4	0	0	0	111.6	F191 L378 P379 P381 I398 E399 D400 T404 Q405 L406	F191-F402 HydrophobicContact CE1-CE1 4.23Å; F191-F402 HydrophobicContact CE1-CZ 4.16Å; L378-F402 HydrophobicContact CD1-CE2 4.38Å; L378-F402 HydrophobicContact CD2-CD2 4.25Å; L378-F402 HydrophobicContact CD2-CE2 3.38Å; L378-F402 HydrophobicContact CD2-CZ 3.74Å; L378-F402 HydrophobicContact CG-CD2 4.04Å; L378-F402 HydrophobicContact CG-CE2 3.67Å; L378-F402 HydrophobicContact CG-CZ 4.38Å; P379-F402 HydrophobicContact CG-CB 4.1Å; P379-F402 HydrophobicContact CG-CD2 4.26Å; P379-F402 WeakPolarHBondContact O-CD2 3.3Å; P381-F402 HydrophobicContact CB-CD1 4.2Å; P381-F402 HydrophobicContact CB-CD2 3.65Å; P381-F402 HydrophobicContact CB-CE1 4.24Å; P381-F402 HydrophobicContact CB-CE2 3.7Å; P381-F402 HydrophobicContact CB-CG 3.9Å; P381-F402 HydrophobicContact CB-CZ 4.01Å; P381-F402 HydrophobicContact CG-CE2 4.35Å; I398-F402 HydrophobicContact CG2-CB 4.08Å; I398-F402 HydrophobicContact CG2-CD1 3.47Å; I398-F402 VanDerWaalsContact CG2-CD1 3.47Å; I398-F402 HydrophobicContact CG2-CE1 4.25Å; I398-F402 HydrophobicContact CG2-CG 4.05Å; E399-F402 WeakPolarHBondContact O-CB 3.43Å; E399-F402 PolarHBondContact O-N 2.96Å; D400-F402 VanDerWaalsContact C-N 3.27Å; D400-F402 PolarHBondContact O-N 2.88Å; F402-T404 VanDerWaalsContact C-N 3.3Å; F402-T404 PolarHBondContact O-N 3.32Å; F402-Q405 PolarHBondContact O-N 2.96Å; F402-L406 HydrophobicContact CD1-CB 4.48Å; F402-L406 HydrophobicContact CE1-CB 4.41Å; F402-L406 HydrophobicContact CE1-CD1 4.36Å; F402-L406 HydrophobicContact CE1-CD2 4.11Å; F402-L406 WeakPolarHBondContact O-CB 3.48Å; F402-L406 PolarHBondContact O-N 3.48Å
403	K	94.9	Very high	94.4	Very high	35 Å²	35	42 Å²	42	15%	0.152	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-40	176.2	-69.3	172.8	-60.4	-158.1	0	111.6	I209 L395 I398 E399 D400 A407	I209-K403 HydrophobicContact CD1-CB 4.33Å; L395-K403 HydrophobicContact CB-CD 3.97Å; L395-K403 PolarHBondContact O-NZ 3.33Å; L395-K403 VanDerWaalsContact O-NZ 3.16Å; I398-K403 HydrophobicContact CB-CD 4.33Å; I398-K403 HydrophobicContact CB-CG 4.33Å; I398-K403 HydrophobicContact CG2-CG 3.99Å; I398-K403 VanDerWaalsContact O-CE 3.24Å; I398-K403 WeakPolarHBondContact O-CE 3.34Å; I398-K403 PolarHBondContact O-NZ 2.88Å; E399-K403 WeakPolarHBondContact O-CE 3.31Å; E399-K403 PolarHBondContact O-N 2.82Å; E399-K403 VanDerWaalsContact O-N 3.08Å; D400-K403 PolarHBondContact O-N 2.79Å; D400-K403 WeakPolarHBondContact OD1-CE 3.33Å; D400-K403 IonicContact OD1-NZ 3.96Å; D400-K403 PolarHBondContact OD1-NZ 2.98Å; K403-A407 WeakPolarHBondContact O-CB 3.33Å; K403-A407 PolarHBondContact O-N 3.24Å
404	T	95.3	Very high	94.7	Very high	89 Å²	89	42 Å²	42	55%	0.546	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-46.8	176.4	-55.1	0	0	0	0	111.8	D400 D401 F402 A407 E408	D400-T404 WeakPolarHBondContact O-CB 3.32Å; D400-T404 PolarHBondContact O-N 2.88Å; D400-T404 PolarHBondContact O-OG1 2.7Å; D401-T404 PolarHBondContact O-N 3.48Å; F402-T404 VanDerWaalsContact C-N 3.3Å; F402-T404 PolarHBondContact O-N 3.32Å; T404-A407 WeakPolarHBondContact O-CB 3.33Å; T404-A407 PolarHBondContact O-N 3.29Å; T404-E408 PolarHBondContact O-N 3.14Å
405	Q	96.5	Very high	94.7	Very high	27 Å²	27	39 Å²	39	13%	0.126	21%	0.209	C	C	.	.	H	α-helix	trans	-75.3	-32	-179	-69.5	-64.5	-42.2	0	0	112.9	Y336 F376 L378 P379 D401 F402 A407 E408 L409	Y336-Q405 VanDerWaalsContact CB-CD 3.49Å; Y336-Q405 HydrophobicContact CG-CG 4.36Å; F376-Q405 HydrophobicContact CE1-CB 4.42Å; F376-Q405 VanDerWaalsContact CZ-O 3.28Å; F376-Q405 WeakPolarHBondContact CZ-O 3.13Å; L378-Q405 HydrophobicContact CD1-CB 3.83Å; P379-Q405 HydrophobicContact CG-CB 4.31Å; P379-Q405 HydrophobicContact CG-CG 4.31Å; D401-Q405 WeakPolarHBondContact O-CB 3.14Å; D401-Q405 VanDerWaalsContact O-CG 3.31Å; D401-Q405 WeakPolarHBondContact O-CG 3.49Å; D401-Q405 PolarHBondContact O-N 3.36Å; F402-Q405 PolarHBondContact O-N 2.96Å; Q405-A407 PolarHBondContact O-N 2.84Å; Q405-E408 PolarHBondContact O-N 3.35Å; Q405-L409 WeakPolarHBondContact O-CB 3.21Å; Q405-L409 PolarHBondContact O-N 2.92Å
406	L	94.8	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-34.7	168.6	-172.4	72.4	0	0	0	111.5	L192 F195 I209 F402 L409 M410	L192-L406 HydrophobicContact CD1-CD1 3.91Å; F195-L406 HydrophobicContact CB-CD1 4.34Å; F195-L406 HydrophobicContact CB-CD2 4.25Å; F195-L406 HydrophobicContact CD1-CD2 3.82Å; F195-L406 HydrophobicContact CD2-CD1 4.45Å; F195-L406 HydrophobicContact CD2-CD2 3.79Å; F195-L406 HydrophobicContact CE1-CD2 4.09Å; F195-L406 HydrophobicContact CE2-CD2 4.04Å; F195-L406 HydrophobicContact CG-CD1 4.48Å; F195-L406 HydrophobicContact CG-CD2 3.68Å; F195-L406 HydrophobicContact CZ-CD2 4.19Å; I209-L406 HydrophobicContact CD1-CD2 4.23Å; F402-L406 HydrophobicContact CD1-CB 4.48Å; F402-L406 HydrophobicContact CE1-CB 4.41Å; F402-L406 HydrophobicContact CE1-CD1 4.36Å; F402-L406 HydrophobicContact CE1-CD2 4.11Å; F402-L406 WeakPolarHBondContact O-CB 3.48Å; F402-L406 PolarHBondContact O-N 3.48Å; L406-L409 PolarHBondContact O-N 3.48Å; L406-M410 HydrophobicContact CD1-CE 3.71Å; L406-M410 PolarHBondContact O-N 3.26Å
407	A	94.3	Very high	94.8	Very high	41 Å²	41	40.1 Å²	40.1	34%	0.339	22%	0.222	S	C	.	.	H	α-helix	trans	-69.7	-31.4	176.3	0	0	0	0	0	113.6	W208 K403 T404 Q405 P411	W208-A407 HydrophobicContact CZ2-CB 4.4Å; K403-A407 WeakPolarHBondContact O-CB 3.33Å; K403-A407 PolarHBondContact O-N 3.24Å; T404-A407 WeakPolarHBondContact O-CB 3.33Å; T404-A407 PolarHBondContact O-N 3.29Å; Q405-A407 PolarHBondContact O-N 2.84Å; A407-P411 WeakPolarHBondContact O-CD 3.26Å
408	E	95.1	Very high	94.9	Very high	81 Å²	81	41.9 Å²	41.9	38%	0.379	23%	0.229	S	C	.	.	H	α-helix	trans	-72.7	-38.1	168.6	-172.7	-178.6	135.2	0	0	111.6	L338 F376 T404 Q405 V412	L338-E408 PolarHBondContact N-OE1 3.03Å; F376-E408 HydrophobicContact CE2-CB 4.39Å; F376-E408 HydrophobicContact CE2-CG 4.13Å; F376-E408 HydrophobicContact CZ-CB 4.2Å; F376-E408 HydrophobicContact CZ-CG 4.39Å; T404-E408 PolarHBondContact O-N 3.14Å; Q405-E408 PolarHBondContact O-N 3.35Å; E408-V412 WeakPolarHBondContact O-CG2 3.14Å
409	L	96	Very high	94.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.2	-43.3	-173.7	-179.4	58.1	0	0	0	114.2	L192 M322 L324 F376 L378 Q405 L406 V412 L413	L192-L409 HydrophobicContact CD1-CD2 4Å; M322-L409 HydrophobicContact SD-CD1 3.86Å; L324-L409 HydrophobicContact CD1-CD1 4.43Å; L324-L409 HydrophobicContact CD1-CD2 3.78Å; L324-L409 HydrophobicContact CD2-CD2 4.16Å; F376-L409 HydrophobicContact CB-CD1 4.26Å; F376-L409 HydrophobicContact CD1-CD1 4.08Å; F376-L409 HydrophobicContact CD1-CD2 4.43Å; F376-L409 HydrophobicContact CD2-CD1 3.78Å; F376-L409 HydrophobicContact CE1-CB 4Å; F376-L409 HydrophobicContact CE1-CD1 4.38Å; F376-L409 HydrophobicContact CE1-CD2 4.46Å; F376-L409 HydrophobicContact CE2-CB 4.03Å; F376-L409 HydrophobicContact CE2-CD1 4.1Å; F376-L409 HydrophobicContact CG-CD1 3.78Å; F376-L409 HydrophobicContact CZ-CB 3.72Å; F376-L409 HydrophobicContact CZ-CD1 4.38Å; L378-L409 HydrophobicContact CD1-CD2 4.45Å; Q405-L409 WeakPolarHBondContact O-CB 3.21Å; Q405-L409 PolarHBondContact O-N 2.92Å; L406-L409 PolarHBondContact O-N 3.48Å; L409-V412 PolarHBondContact O-N 3.48Å; L409-L413 HydrophobicContact CD1-CD1 3.84Å; L409-L413 HydrophobicContact CD1-CG 4.2Å; L409-L413 HydrophobicContact CG-CD1 4.05Å; L409-L413 PolarHBondContact O-N 3.42Å
410	M	94.9	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-46.8	-173.5	-67.9	-58.6	126.4	0	0	113.5	L192 M196 Y199 W208 L406 V412 L413 L414	L192-M410 HydrophobicContact CD1-CE 3.66Å; L192-M410 HydrophobicContact CG-CE 4.18Å; M196-M410 HydrophobicContact CB-SD 4.3Å; M196-M410 HydrophobicContact CG-CE 4.17Å; M196-M410 HydrophobicContact CG-SD 3.58Å; M196-M410 VanDerWaalsContact CG-SD 3.58Å; Y199-M410 HydrophobicContact CD2-CB 3.67Å; Y199-M410 HydrophobicContact CE2-CB 4.22Å; Y199-M410 HydrophobicContact CG-CB 3.9Å; W208-M410 HydrophobicContact CH2-CB 3.63Å; W208-M410 HydrophobicContact CH2-CG 3.36Å; W208-M410 HydrophobicContact CZ2-CB 3.94Å; W208-M410 HydrophobicContact CZ2-CG 4.17Å; W208-M410 HydrophobicContact CZ3-CB 4.22Å; W208-M410 HydrophobicContact CZ3-CG 3.76Å; L406-M410 HydrophobicContact CD1-CE 3.71Å; L406-M410 PolarHBondContact O-N 3.26Å; M410-V412 VanDerWaalsContact C-N 3.31Å; M410-V412 PolarHBondContact O-N 2.96Å; M410-L413 PolarHBondContact O-N 3.26Å; M410-L413 VanDerWaalsContact O-N 3.14Å; M410-L414 WeakPolarHBondContact O-CB 3.42Å; M410-L414 PolarHBondContact O-N 2.88Å; M410-L414 HydrophobicContact SD-CD1 4.21Å
411	P	93.9	Very high	94.9	Very high	43 Å²	43	34.6 Å²	34.6	28%	0.279	20%	0.195	S	C	.	.	H	α-helix	trans	-58.2	-38.8	173.5	-25.8	35.5	0	0	0	113.6	Y199 A407 L413 L414 A415	Y199-P411 HydrophobicContact CE2-CG 4.11Å; A407-P411 WeakPolarHBondContact O-CD 3.26Å; P411-L413 PolarHBondContact O-N 3.06Å; P411-L414 PolarHBondContact O-N 3.18Å; P411-A415 HydrophobicContact CB-CB 4.2Å; P411-A415 WeakPolarHBondContact O-CB 3.47Å; P411-A415 PolarHBondContact O-N 3.09Å
412	V	94.8	Very high	94.9	Very high	34 Å²	34	29.9 Å²	29.9	21%	0.206	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-23.5	179.5	176.2	0	0	0	0	112.5	M322 L338 E408 L409 M410	M322-V412 HydrophobicContact CE-CG1 3.85Å; L338-V412 HydrophobicContact CD1-CG1 4.41Å; L338-V412 HydrophobicContact CD2-CG1 4.14Å; L338-V412 HydrophobicContact CD2-CG2 4.49Å; E408-V412 WeakPolarHBondContact O-CG2 3.14Å; L409-V412 PolarHBondContact O-N 3.48Å; M410-V412 VanDerWaalsContact C-N 3.31Å; M410-V412 PolarHBondContact O-N 2.96Å
413	L	95	Very high	94.7	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-98.4	-31.9	177.3	-70.9	173.8	0	0	0	114.1	M196 V282 V284 M322 L409 M410 P411	M196-L413 HydrophobicContact CE-CD1 3.69Å; V282-L413 HydrophobicContact CG1-CD2 3.93Å; V284-L413 HydrophobicContact CG2-CD1 4.17Å; V284-L413 HydrophobicContact CG2-CD2 3.83Å; M322-L413 HydrophobicContact CE-CD2 3.56Å; M322-L413 HydrophobicContact CE-CG 4.14Å; M322-L413 HydrophobicContact SD-CD2 3.83Å; M322-L413 HydrophobicContact SD-CG 4.34Å; L409-L413 HydrophobicContact CD1-CD1 3.84Å; L409-L413 HydrophobicContact CD1-CG 4.2Å; L409-L413 HydrophobicContact CG-CD1 4.05Å; L409-L413 PolarHBondContact O-N 3.42Å; M410-L413 PolarHBondContact O-N 3.26Å; M410-L413 VanDerWaalsContact O-N 3.14Å; P411-L413 PolarHBondContact O-N 3.06Å
414	L	95.8	Very high	94.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-132.9	-5.6	-161.3	-61.6	172.3	0	0	0	115.5	V179 M196 Y199 M200 Q203 L253 M410 P411	V179-L414 HydrophobicContact CG2-CD2 3.94Å; M196-L414 HydrophobicContact CB-CD1 3.66Å; M196-L414 HydrophobicContact CG-CD1 3.81Å; M196-L414 HydrophobicContact SD-CD1 4.41Å; Y199-L414 HydrophobicContact CD1-CB 3.51Å; Y199-L414 HydrophobicContact CD1-CD1 3.8Å; Y199-L414 HydrophobicContact CD1-CG 4.31Å; Y199-L414 HydrophobicContact CE1-CB 3.47Å; Y199-L414 VanDerWaalsContact CE1-CB 3.47Å; Y199-L414 HydrophobicContact CG-CD1 4.35Å; M200-L414 HydrophobicContact CG-CD1 4.24Å; M200-L414 HydrophobicContact SD-CB 4.02Å; M200-L414 HydrophobicContact SD-CD1 4.1Å; M200-L414 HydrophobicContact SD-CD2 3.95Å; M200-L414 HydrophobicContact SD-CG 4.24Å; Q203-L414 PolarHBondContact NE2-O 3.38Å; L253-L414 HydrophobicContact CD2-CD2 4.16Å; M410-L414 WeakPolarHBondContact O-CB 3.42Å; M410-L414 PolarHBondContact O-N 2.88Å; M410-L414 HydrophobicContact SD-CD1 4.21Å; P411-L414 PolarHBondContact O-N 3.18Å
415	A	94.3	Very high	93.5	Very high	11 Å²	11	28.7 Å²	28.7	9%	0.091	16%	0.162	C	C	.	.	S	Bend	trans	-64.4	143.2	177	0	0	0	0	0	110.9	P411 D417 Q418 L419	P411-A415 HydrophobicContact CB-CB 4.2Å; P411-A415 WeakPolarHBondContact O-CB 3.47Å; P411-A415 PolarHBondContact O-N 3.09Å; A415-D417 VanDerWaalsContact CB-OD1 3.24Å; A415-D417 WeakPolarHBondContact CB-OD1 3.34Å; A415-D417 PolarHBondContact O-N 3.43Å; A415-Q418 HydrophobicContact CB-CG 4.46Å; A415-Q418 PolarHBondContact O-N 2.91Å; A415-L419 PolarHBondContact O-N 3.45Å; A415-L419 VanDerWaalsContact O-N 3.17Å
416	P	93.9	Very high	92.7	Very high	36 Å²	36	29.2 Å²	29.2	23%	0.234	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.3	-172	-28.3	35	0	0	0	115.7	V241 K243 P244	V241-P416 HydrophobicContact CG1-CB 3.87Å; V241-P416 HydrophobicContact CG1-CG 3.78Å; K243-P416 VanDerWaalsContact CE-O 3.27Å; K243-P416 WeakPolarHBondContact CE-O 3.48Å; K243-P416 WeakPolarHBondContact CG-O 3.39Å; P244-P416 WeakPolarHBondContact CD-O 3.48Å
417	D	93.3	Very high	92.2	Very high	94 Å²	94	30.2 Å²	30.2	50%	0.503	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-32.8	174.6	66.8	-56.6	0	0	0	113.1	P244 A415	P244-D417 HydrophobicContact CG-CB 3.99Å; A415-D417 VanDerWaalsContact CB-OD1 3.24Å; A415-D417 WeakPolarHBondContact CB-OD1 3.34Å; A415-D417 PolarHBondContact O-N 3.43Å
418	Q	93.3	Very high	92.1	Very high	71 Å²	71	32.5 Å²	32.5	33%	0.332	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.5	179.8	-61.8	-56.2	-56.1	0	0	113.8	A415 V420	A415-Q418 HydrophobicContact CB-CG 4.46Å; A415-Q418 PolarHBondContact O-N 2.91Å; Q418-V420 WeakPolarHBondContact O-CG2 3.49Å; Q418-V420 PolarHBondContact O-N 2.85Å; Q418-V420 VanDerWaalsContact O-N 3.1Å
419	L	94.9	Very high	92	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	17%	0.166	C	C	.	.			trans	-58.9	110.8	-178.1	-69.9	-177.6	0	0	0	112.9	V177 V241 K243 V249 V251 A415	V177-L419 HydrophobicContact CG1-CB 4.5Å; V177-L419 HydrophobicContact CG1-CD2 4.09Å; V177-L419 HydrophobicContact CG2-CB 4.12Å; V241-L419 HydrophobicContact CB-CD1 3.77Å; V241-L419 HydrophobicContact CG1-CD1 3.66Å; V241-L419 HydrophobicContact CG2-CD1 4.1Å; K243-L419 HydrophobicContact CD-CB 4.47Å; K243-L419 PolarHBondContact NZ-O 3.49Å; V249-L419 HydrophobicContact CG2-CD1 3.88Å; V251-L419 HydrophobicContact CG2-CD1 3.81Å; V251-L419 HydrophobicContact CG2-CD2 4.19Å; A415-L419 PolarHBondContact O-N 3.45Å; A415-L419 VanDerWaalsContact O-N 3.17Å
420	V	94.3	Very high	91.9	Very high	40 Å²	40	29.9 Å²	29.9	24%	0.242	17%	0.173	C	C	.	.			trans	-90.3	109.8	178.5	-176.8	0	0	0	0	110.6	V177 S281 V282 Q319 Q418	V177-V420 WeakPolarHBondContact CG1-O 3.49Å; S281-V420 WeakPolarHBondContact CB-O 3.23Å; S281-V420 PolarHBondContact OG-O 2.95Å; V282-V420 HydrophobicContact CG2-CB 4.36Å; Q319-V420 HydrophobicContact CB-CG1 4.3Å; Q418-V420 WeakPolarHBondContact O-CG2 3.49Å; Q418-V420 PolarHBondContact O-N 2.85Å; Q418-V420 VanDerWaalsContact O-N 3.1Å
421	E	95.8	Very high	91.9	Very high	17 Å²	17	29.9 Å²	29.9	8%	0.079	17%	0.173	C	C	.	.			trans	-61	136.5	172.2	-63.8	161	108.3	0	0	110.7	N175 V177 V249 Q319 Q423 K428	N175-E421 HydrophobicContact CB-CG 4.16Å; N175-E421 WeakPolarHBondContact CB-OE1 3.13Å; N175-E421 PolarHBondContact ND2-OE1 3.45Å; V177-E421 HydrophobicContact CG2-CG 4.5Å; V249-E421 HydrophobicContact CG1-CG 3.76Å; Q319-E421 PolarHBondContact NE2-O 3.31Å; E421-Q423 PolarHBondContact O-N 3.49Å; E421-K428 WeakPolarHBondContact OE1-CD 3.39Å; E421-K428 IonicContact OE1-NZ 3.54Å; E421-K428 PolarHBondContact OE1-NZ 3.01Å; E421-K428 VanDerWaalsContact OE2-CE 3.25Å; E421-K428 WeakPolarHBondContact OE2-CE 3.2Å; E421-K428 IonicContact OE2-NZ 3.74Å; E421-K428 PolarHBondContact OE2-NZ 2.88Å
422	K	96.2	Very high	91.8	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.009	17%	0.172	C	C	.	.			trans	-62.7	130.6	178.8	-178.7	57.2	175.6	173.1	0	110.6	L176 M278 T279 S280 K428 I429	L176-K422 VanDerWaalsContact O-CB 3.27Å; L176-K422 WeakPolarHBondContact O-CB 3.46Å; L176-K422 PolarHBondContact O-N 3.48Å; M278-K422 VanDerWaalsContact O-CE 3.23Å; M278-K422 WeakPolarHBondContact O-CE 3.27Å; M278-K422 PolarHBondContact O-NZ 3.05Å; T279-K422 WeakPolarHBondContact O-CD 3.47Å; T279-K422 VanDerWaalsContact O-CE 3.23Å; T279-K422 WeakPolarHBondContact O-CE 3.47Å; S280-K422 WeakPolarHBondContact O-CD 3.42Å; S280-K422 WeakPolarHBondContact O-CE 3.18Å; S280-K422 PolarHBondContact O-NZ 3.36Å; K422-K428 WeakPolarHBondContact O-CA 3.42Å; K422-I429 HydrophobicContact CB-CB 4.22Å; K422-I429 HydrophobicContact CG-CB 4Å; K422-I429 HydrophobicContact CG-CG1 4.06Å; K422-I429 HydrophobicContact CG-CG2 4.46Å; K422-I429 PolarHBondContact O-N 3.47Å
423	Q	91.8	Very high	91.7	Very high	75 Å²	75	30.5 Å²	30.5	35%	0.35	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.9	174.2	-64.4	175.8	24	0	0	110.9	E421 S427 K428	E421-Q423 PolarHBondContact O-N 3.49Å; Q423-S427 WeakPolarHBondContact CA-O 3.21Å; Q423-K428 HydrophobicContact CG-CG 4.33Å
424	I	87.2	Confident	91.6	Very high	11 Å²	11	30.3 Å²	30.3	6%	0.056	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	125.9	171	-59.6	174.8	0	0	0	106.9	G426 S427 I429 Y437 T460 M517	I424-G426 PolarHBondContact O-N 3.46Å; I424-S427 PolarHBondContact N-O 3.47Å; I424-S427 PolarHBondContact O-N 2.76Å; I424-S427 VanDerWaalsContact O-N 3.15Å; I424-I429 HydrophobicContact CB-CD1 3.98Å; I424-I429 HydrophobicContact CB-CG1 4.2Å; I424-I429 HydrophobicContact CD1-CD1 4.49Å; I424-I429 HydrophobicContact CD1-CG1 4.24Å; I424-I429 HydrophobicContact CG1-CD1 4.29Å; I424-I429 HydrophobicContact CG1-CG1 4Å; I424-Y437 HydrophobicContact CB-CE1 4.41Å; I424-Y437 HydrophobicContact CD1-CD1 3.66Å; I424-Y437 HydrophobicContact CD1-CD2 4.01Å; I424-Y437 HydrophobicContact CD1-CE1 3.55Å; I424-Y437 HydrophobicContact CD1-CE2 3.93Å; I424-Y437 HydrophobicContact CD1-CG 3.88Å; I424-Y437 HydrophobicContact CG2-CE1 3.94Å; I424-T460 HydrophobicContact CG2-CG2 3.41Å; I424-T460 VanDerWaalsContact CG2-CG2 3.41Å; I424-M517 HydrophobicContact CG2-CE 4.29Å
425	G	77.7	Confident	91.4	Very high	13 Å²	13	30.3 Å²	30.3	13%	0.134	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	24.9	-176	0	0	0	0	0	114.6	S427	G425-S427 PolarHBondContact O-N 2.8Å
426	G	80.1	Confident	91.2	Very high	37 Å²	37	33 Å²	33	38%	0.381	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	5.1	-174.8	0	0	0	0	0	115.3	I424	I424-G426 PolarHBondContact O-N 3.46Å
427	S	84.6	Confident	91	Very high	21 Å²	21	31.2 Å²	31.2	15%	0.147	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	137.6	169.8	-68.4	0	0	0	0	109.9	Q423 I424 G425 K515	Q423-S427 WeakPolarHBondContact CA-O 3.21Å; I424-S427 PolarHBondContact N-O 3.47Å; I424-S427 PolarHBondContact O-N 2.76Å; I424-S427 VanDerWaalsContact O-N 3.15Å; G425-S427 PolarHBondContact O-N 2.8Å; S427-K515 PolarHBondContact OG-O 3.24Å
428	K	91.7	Very high	90.9	Very high	90 Å²	90	26.9 Å²	26.9	39%	0.391	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	146.9	169.9	-64.1	-169.4	-177.5	-169.9	0	110.1	N175 E421 K422 Q423	N175-K428 WeakPolarHBondContact ND2-CD 3.25Å; E421-K428 WeakPolarHBondContact OE1-CD 3.39Å; E421-K428 IonicContact OE1-NZ 3.54Å; E421-K428 PolarHBondContact OE1-NZ 3.01Å; E421-K428 VanDerWaalsContact OE2-CE 3.25Å; E421-K428 WeakPolarHBondContact OE2-CE 3.2Å; E421-K428 IonicContact OE2-NZ 3.74Å; E421-K428 PolarHBondContact OE2-NZ 2.88Å; K422-K428 WeakPolarHBondContact O-CA 3.42Å; Q423-K428 HydrophobicContact CG-CG 4.33Å
429	I	92.9	Very high	90.7	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.015	14%	0.141	C	C	.	.			trans	-115.3	128.7	-173.6	-52.2	-54.6	0	0	0	109.6	L176 K422 I424 D433 L434 Y437	L176-I429 PolarHBondContact N-O 3.38Å; K422-I429 HydrophobicContact CB-CB 4.22Å; K422-I429 HydrophobicContact CG-CB 4Å; K422-I429 HydrophobicContact CG-CG1 4.06Å; K422-I429 HydrophobicContact CG-CG2 4.46Å; K422-I429 PolarHBondContact O-N 3.47Å; I424-I429 HydrophobicContact CB-CD1 3.98Å; I424-I429 HydrophobicContact CB-CG1 4.2Å; I424-I429 HydrophobicContact CD1-CD1 4.49Å; I424-I429 HydrophobicContact CD1-CG1 4.24Å; I424-I429 HydrophobicContact CG1-CD1 4.29Å; I424-I429 HydrophobicContact CG1-CG1 4Å; I429-D433 HydrophobicContact CG2-CB 3.71Å; I429-L434 HydrophobicContact CG2-CB 4.42Å; I429-Y437 HydrophobicContact CD1-CE2 3.88Å; I429-Y437 HydrophobicContact CG2-CD2 4.22Å; I429-Y437 HydrophobicContact CG2-CE2 4.18Å
430	T	94.2	Very high	90.4	Very high	23 Å²	23	27.2 Å²	27.2	14%	0.141	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-87.2	170.6	175.3	68.7	0	0	0	0	112.4	L174 K432 D433 L434	L174-T430 WeakPolarHBondContact O-CA 3.43Å; L174-T430 VanDerWaalsContact O-CB 3.3Å; L174-T430 WeakPolarHBondContact O-CB 3.28Å; T430-K432 VanDerWaalsContact C-N 3.32Å; T430-K432 PolarHBondContact O-N 3Å; T430-D433 WeakPolarHBondContact CB-OD2 3.44Å; T430-D433 PolarHBondContact N-OD2 2.99Å; T430-D433 PolarHBondContact O-N 2.91Å; T430-D433 PolarHBondContact OG1-N 3.22Å; T430-D433 PolarHBondContact OG1-OD1 2.84Å; T430-D433 PolarHBondContact OG1-OD2 2.89Å; T430-L434 PolarHBondContact O-N 3.3Å; T430-L434 VanDerWaalsContact O-N 3.14Å
431	C	94.5	Very high	90.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.7	-45.1	174.3	-59.4	0	0	0	0	112.3	L166 V171 L174 A250 D433 L434	L166-C431 HydrophobicContact CB-CB 4.18Å; L166-C431 HydrophobicContact CD2-CB 4.13Å; L166-C431 WeakPolarHBondContact O-CB 3.15Å; V171-C431 WeakPolarHBondContact O-CB 3.48Å; V171-C431 PolarHBondContact O-SG 3.22Å; L174-C431 PolarHBondContact O-N 3.16Å; A250-C431 WeakPolarHBondContact CB-SG 3.15Å; C431-D433 VanDerWaalsContact C-N 3.34Å; C431-D433 PolarHBondContact O-N 2.96Å; C431-L434 PolarHBondContact O-N 3.4Å
432	K	92.1	Very high	89.6	Confident	60 Å²	60	24.9 Å²	24.9	26%	0.261	14%	0.135	S	C	.	.	H	α-helix	trans	-58.8	-43.5	175.5	176.3	-176.7	175.4	-172.7	0	112.3	L167 K172 T430 L434 V435	L167-K432 HydrophobicContact CD2-CB 3.88Å; L167-K432 HydrophobicContact CD2-CG 3.89Å; K172-K432 VanDerWaalsContact O-CB 3.32Å; K172-K432 WeakPolarHBondContact O-CB 3.13Å; K172-K432 PolarHBondContact O-N 3.25Å; T430-K432 VanDerWaalsContact C-N 3.32Å; T430-K432 PolarHBondContact O-N 3Å; K432-L434 PolarHBondContact O-N 3.43Å; K432-V435 WeakPolarHBondContact O-CB 3.38Å; K432-V435 PolarHBondContact O-N 3.12Å
433	D	91.3	Very high	89.2	Confident	29 Å²	29	32 Å²	32	16%	0.155	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-38.7	-176.8	-53.3	-28	0	0	0	111.7	I429 T430 C431 V435 E436 Y437 T467	I429-D433 HydrophobicContact CG2-CB 3.71Å; T430-D433 WeakPolarHBondContact CB-OD2 3.44Å; T430-D433 PolarHBondContact N-OD2 2.99Å; T430-D433 PolarHBondContact O-N 2.91Å; T430-D433 PolarHBondContact OG1-N 3.22Å; T430-D433 PolarHBondContact OG1-OD1 2.84Å; T430-D433 PolarHBondContact OG1-OD2 2.89Å; C431-D433 VanDerWaalsContact C-N 3.34Å; C431-D433 PolarHBondContact O-N 2.96Å; D433-V435 PolarHBondContact O-N 3.02Å; D433-E436 PolarHBondContact O-N 3.19Å; D433-E436 VanDerWaalsContact O-N 3.09Å; D433-Y437 VanDerWaalsContact O-CD2 3.27Å; D433-Y437 WeakPolarHBondContact O-CD2 3.37Å; D433-Y437 PolarHBondContact O-N 3.48Å; D433-T467 HydrophobicContact CB-CG2 3.77Å; D433-T467 WeakPolarHBondContact OD1-CG2 3.39Å
434	L	92.9	Very high	88.8	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-30.7	-179	-172.3	67.8	0	0	0	112.6	L166 L176 V178 L252 T279 I429 T430 C431 K432 E436 Y437 F438	L166-L434 HydrophobicContact CD1-CB 4.35Å; L166-L434 HydrophobicContact CD1-CD2 4.17Å; L176-L434 HydrophobicContact CD2-CB 4.03Å; L176-L434 HydrophobicContact CD2-CD2 3.36Å; L176-L434 HydrophobicContact CD2-CG 4.29Å; V178-L434 HydrophobicContact CG2-CD2 3.86Å; L252-L434 HydrophobicContact CD2-CD2 4.31Å; T279-L434 HydrophobicContact CG2-CD1 4.22Å; I429-L434 HydrophobicContact CG2-CB 4.42Å; T430-L434 PolarHBondContact O-N 3.3Å; T430-L434 VanDerWaalsContact O-N 3.14Å; C431-L434 PolarHBondContact O-N 3.4Å; K432-L434 PolarHBondContact O-N 3.43Å; L434-E436 VanDerWaalsContact C-N 3.34Å; L434-E436 PolarHBondContact O-N 3.04Å; L434-Y437 PolarHBondContact O-N 2.99Å; L434-F438 HydrophobicContact CD1-CD2 4.44Å; L434-F438 HydrophobicContact CD2-CD2 4.41Å; L434-F438 HydrophobicContact CD2-CE2 4.12Å; L434-F438 HydrophobicContact CG-CD2 3.99Å; L434-F438 HydrophobicContact CG-CE2 4.16Å; L434-F438 PolarHBondContact O-N 3.06Å
435	V	92.3	Very high	88.4	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-58.5	-45.9	174.6	-180	0	0	0	0	111	L162 E163 L166 L167 K432 D433 F438 K439	L162-V435 HydrophobicContact CG-CG2 4.38Å; E163-V435 HydrophobicContact CG-CG1 3.74Å; L166-V435 HydrophobicContact CB-CG2 3.8Å; L166-V435 HydrophobicContact CD1-CG2 3.99Å; L167-V435 HydrophobicContact CD2-CG2 4.26Å; K432-V435 WeakPolarHBondContact O-CB 3.38Å; K432-V435 PolarHBondContact O-N 3.12Å; D433-V435 PolarHBondContact O-N 3.02Å; V435-F438 PolarHBondContact O-N 3.05Å; V435-K439 HydrophobicContact CG1-CD 4.23Å; V435-K439 WeakPolarHBondContact O-CG 3.09Å; V435-K439 PolarHBondContact O-N 3.38Å
436	E	90.2	Very high	88.4	Confident	66 Å²	66	33.2 Å²	33.2	31%	0.308	17%	0.169	S	C	.	.	H	α-helix	trans	-70.6	-33.6	179.7	-62.1	-53.6	123.2	0	0	112.1	D433 L434 K439 A440	D433-E436 PolarHBondContact O-N 3.19Å; D433-E436 VanDerWaalsContact O-N 3.09Å; L434-E436 VanDerWaalsContact C-N 3.34Å; L434-E436 PolarHBondContact O-N 3.04Å; E436-K439 PolarHBondContact O-N 3.14Å; E436-K439 WeakPolarHBondContact OE1-CD 3.44Å; E436-K439 IonicContact OE1-NZ 3.19Å; E436-K439 PolarHBondContact OE1-NZ 3.01Å; E436-A440 WeakPolarHBondContact O-CB 3.35Å; E436-A440 PolarHBondContact O-N 3.41Å
437	Y	90.6	Very high	88	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-43.7	169.7	-76.6	-76.1	0	0	0	112.3	I424 I429 D433 L434 K439 A440 Y441 T460 A463 N464	I424-Y437 HydrophobicContact CB-CE1 4.41Å; I424-Y437 HydrophobicContact CD1-CD1 3.66Å; I424-Y437 HydrophobicContact CD1-CD2 4.01Å; I424-Y437 HydrophobicContact CD1-CE1 3.55Å; I424-Y437 HydrophobicContact CD1-CE2 3.93Å; I424-Y437 HydrophobicContact CD1-CG 3.88Å; I424-Y437 HydrophobicContact CG2-CE1 3.94Å; I429-Y437 HydrophobicContact CD1-CE2 3.88Å; I429-Y437 HydrophobicContact CG2-CD2 4.22Å; I429-Y437 HydrophobicContact CG2-CE2 4.18Å; D433-Y437 VanDerWaalsContact O-CD2 3.27Å; D433-Y437 WeakPolarHBondContact O-CD2 3.37Å; D433-Y437 PolarHBondContact O-N 3.48Å; L434-Y437 PolarHBondContact O-N 2.99Å; Y437-K439 PolarHBondContact O-N 3.28Å; Y437-A440 PolarHBondContact O-N 3.29Å; Y437-Y441 HydrophobicContact CD1-CE2 4.03Å; Y437-Y441 AromaticContact CD1-CZ 3.92Å; Y437-Y441 HydrophobicContact CG-CE2 4.39Å; Y437-Y441 WeakPolarHBondContact O-CB 3.49Å; Y437-Y441 WeakPolarHBondContact O-CD2 3.39Å; Y437-Y441 PolarHBondContact O-N 3.03Å; Y437-T460 HydrophobicContact CE1-CG2 4.21Å; Y437-A463 HydrophobicContact CD1-CB 3.59Å; Y437-A463 HydrophobicContact CE1-CB 3.72Å; Y437-A463 HydrophobicContact CG-CB 4.21Å; Y437-N464 HydrophobicContact CE1-CB 4.39Å; Y437-N464 WeakPolarHBondContact OH-CA 3.36Å; Y437-N464 VanDerWaalsContact OH-CB 3.24Å; Y437-N464 WeakPolarHBondContact OH-CB 3.45Å; Y437-N464 PolarHBondContact OH-ND2 2.84Å
438	F	90.1	Very high	87.1	Confident	3 Å²	3	39 Å²	39	1%	0.013	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-44.3	174.7	-99	-74.2	0	0	0	112.1	I145 V146 L157 L162 T279 L434 V435 A440 Y441 I442	I145-F438 HydrophobicContact CD1-CE1 3.95Å; I145-F438 HydrophobicContact CD1-CE2 4.24Å; I145-F438 HydrophobicContact CD1-CZ 3.72Å; V146-F438 HydrophobicContact CG2-CD1 4.47Å; V146-F438 HydrophobicContact CG2-CE1 4.29Å; L157-F438 HydrophobicContact CD1-CB 4.13Å; L157-F438 HydrophobicContact CD1-CD1 4.06Å; L157-F438 HydrophobicContact CD1-CG 4.36Å; L157-F438 HydrophobicContact CD2-CB 4.12Å; L162-F438 HydrophobicContact CD2-CB 3.71Å; L162-F438 HydrophobicContact CD2-CD2 3.79Å; L162-F438 HydrophobicContact CD2-CG 3.84Å; T279-F438 HydrophobicContact CG2-CD1 4.29Å; T279-F438 HydrophobicContact CG2-CD2 3.94Å; T279-F438 HydrophobicContact CG2-CE1 4.01Å; T279-F438 HydrophobicContact CG2-CE2 3.64Å; T279-F438 HydrophobicContact CG2-CG 4.25Å; T279-F438 HydrophobicContact CG2-CZ 3.68Å; L434-F438 HydrophobicContact CD1-CD2 4.44Å; L434-F438 HydrophobicContact CD2-CD2 4.41Å; L434-F438 HydrophobicContact CD2-CE2 4.12Å; L434-F438 HydrophobicContact CG-CD2 3.99Å; L434-F438 HydrophobicContact CG-CE2 4.16Å; L434-F438 PolarHBondContact O-N 3.06Å; V435-F438 PolarHBondContact O-N 3.05Å; F438-A440 PolarHBondContact O-N 3.2Å; F438-Y441 PolarHBondContact O-N 3.41Å; F438-I442 WeakPolarHBondContact O-CB 3.27Å; F438-I442 WeakPolarHBondContact O-CG2 3.36Å; F438-I442 PolarHBondContact O-N 3.27Å
439	K	90.1	Very high	86	Confident	60 Å²	60	42.6 Å²	42.6	26%	0.261	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-39.6	175.7	-71.6	168.4	-179.1	170.1	0	112.8	L157 E163 V435 E436 Y437	L157-K439 HydrophobicContact CD2-CB 4.37Å; L157-K439 HydrophobicContact CD2-CG 3.78Å; E163-K439 WeakPolarHBondContact OE1-CE 3.44Å; E163-K439 IonicContact OE1-NZ 3.24Å; E163-K439 PolarHBondContact OE1-NZ 3.04Å; V435-K439 HydrophobicContact CG1-CD 4.23Å; V435-K439 WeakPolarHBondContact O-CG 3.09Å; V435-K439 PolarHBondContact O-N 3.38Å; E436-K439 PolarHBondContact O-N 3.14Å; E436-K439 WeakPolarHBondContact OE1-CD 3.44Å; E436-K439 IonicContact OE1-NZ 3.19Å; E436-K439 PolarHBondContact OE1-NZ 3.01Å; Y437-K439 PolarHBondContact O-N 3.28Å
440	A	88.6	Confident	85	Confident	20 Å²	20	45.6 Å²	45.6	17%	0.165	23%	0.232	C	C	.	.	H	α-helix	trans	-72.1	-42.9	177.5	0	0	0	0	0	112	E436 Y437 F438 I444 A463	E436-A440 WeakPolarHBondContact O-CB 3.35Å; E436-A440 PolarHBondContact O-N 3.41Å; Y437-A440 PolarHBondContact O-N 3.29Å; F438-A440 PolarHBondContact O-N 3.2Å; A440-I444 VanDerWaalsContact O-CG1 3.29Å; A440-I444 WeakPolarHBondContact O-CG1 3.29Å; A440-A463 HydrophobicContact CB-CB 3.65Å
441	Y	88	Confident	84.2	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-70	-45	-178.7	-66.8	-39	0	0	0	113	M278 T279 Y437 F438 K443 I444 Y445 T460	M278-Y441 HydrophobicContact CB-CD2 4.29Å; M278-Y441 HydrophobicContact CB-CE2 3.89Å; M278-Y441 HydrophobicContact CE-CD1 3.9Å; M278-Y441 HydrophobicContact CE-CD2 4.28Å; M278-Y441 HydrophobicContact CE-CE1 4.35Å; M278-Y441 HydrophobicContact CE-CG 3.88Å; M278-Y441 HydrophobicContact SD-CD1 4.06Å; M278-Y441 HydrophobicContact SD-CE1 3.92Å; M278-Y441 HydrophobicContact SD-CG 4.49Å; T279-Y441 HydrophobicContact CG2-CD2 4.05Å; T279-Y441 HydrophobicContact CG2-CE2 4.32Å; Y437-Y441 HydrophobicContact CD1-CE2 4.03Å; Y437-Y441 AromaticContact CD1-CZ 3.92Å; Y437-Y441 HydrophobicContact CG-CE2 4.39Å; Y437-Y441 WeakPolarHBondContact O-CB 3.49Å; Y437-Y441 WeakPolarHBondContact O-CD2 3.39Å; Y437-Y441 PolarHBondContact O-N 3.03Å; F438-Y441 PolarHBondContact O-N 3.41Å; Y441-K443 PolarHBondContact O-N 3.18Å; Y441-I444 HydrophobicContact CD1-CD1 4.17Å; Y441-I444 WeakPolarHBondContact O-CG1 3.46Å; Y441-I444 PolarHBondContact O-N 3.4Å; Y441-I444 VanDerWaalsContact O-N 3.12Å; Y441-Y445 WeakPolarHBondContact O-CD2 3.49Å; Y441-T460 WeakPolarHBondContact CE1-OG1 3.36Å; Y441-T460 PolarHBondContact OH-OG1 2.9Å
442	I	85.4	Confident	83.5	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-40.7	-178.3	-162.6	71.2	0	0	0	111.4	V146 F155 L157 L275 F438 I444 Y445 E446	V146-I442 HydrophobicContact CG1-CD1 3.82Å; V146-I442 HydrophobicContact CG2-CD1 4.43Å; F155-I442 HydrophobicContact CB-CD1 3.7Å; L157-I442 HydrophobicContact CB-CB 4.2Å; L157-I442 HydrophobicContact CB-CG1 4.02Å; L157-I442 HydrophobicContact CB-CG2 3.87Å; L157-I442 HydrophobicContact CD2-CG2 4.15Å; L275-I442 HydrophobicContact CD1-CD1 3.86Å; F438-I442 WeakPolarHBondContact O-CB 3.27Å; F438-I442 WeakPolarHBondContact O-CG2 3.36Å; F438-I442 PolarHBondContact O-N 3.27Å; I442-I444 PolarHBondContact O-N 2.85Å; I442-I444 VanDerWaalsContact O-N 3.13Å; I442-Y445 CarbonylContact O-C 3.4Å; I442-Y445 WeakPolarHBondContact O-CA 3.46Å; I442-Y445 PolarHBondContact O-N 3.18Å; I442-E446 PolarHBondContact O-N 3.06Å
443	K	86	Confident	82.8	Confident	152 Å²	152	48.8 Å²	48.8	66%	0.661	25%	0.249	S	C	*	.	H	α-helix	trans	-63.2	-19.2	-178.1	-167.4	175.1	-178	-179.9	0	114.9	Y441	Y441-K443 PolarHBondContact O-N 3.18Å
444	I	83.5	Confident	82.3	Confident	32 Å²	32	54 Å²	54	16%	0.164	27%	0.27	C	S	.	.	H	α-helix	trans	-85.4	-26.7	173.6	-19.6	167.8	0	0	0	111.5	A440 Y441 I442 P451 M456 A459	A440-I444 VanDerWaalsContact O-CG1 3.29Å; A440-I444 WeakPolarHBondContact O-CG1 3.29Å; Y441-I444 HydrophobicContact CD1-CD1 4.17Å; Y441-I444 WeakPolarHBondContact O-CG1 3.46Å; Y441-I444 PolarHBondContact O-N 3.4Å; Y441-I444 VanDerWaalsContact O-N 3.12Å; I442-I444 PolarHBondContact O-N 2.85Å; I442-I444 VanDerWaalsContact O-N 3.13Å; I444-P451 HydrophobicContact CB-CB 4.15Å; I444-P451 HydrophobicContact CB-CG 4.41Å; I444-P451 HydrophobicContact CG2-CB 3.53Å; I444-P451 HydrophobicContact CG2-CG 4.3Å; I444-M456 HydrophobicContact CD1-CG 4.37Å; I444-A459 HydrophobicContact CD1-CB 3.25Å; I444-A459 HydrophobicContact CG1-CB 3.81Å
445	Y	79.1	Confident	81.8	Confident	1 Å²	1	56.7 Å²	56.7	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-95.2	-3.4	179.4	-70.4	-87.1	0	0	0	113.8	T271 A274 L275 M278 Y441 I442 G447 L450 P451 M456	T271-Y445 HydrophobicContact CG2-CD1 3.6Å; T271-Y445 HydrophobicContact CG2-CE1 4.38Å; T271-Y445 HydrophobicContact CG2-CG 3.73Å; T271-Y445 VanDerWaalsContact OG1-CD1 3.27Å; T271-Y445 WeakPolarHBondContact OG1-CD1 3.5Å; A274-Y445 HydrophobicContact CB-CE1 4.11Å; A274-Y445 HydrophobicContact CB-CE2 4.49Å; A274-Y445 WeakPolarHBondContact CB-OH 3.38Å; L275-Y445 HydrophobicContact CD2-CD2 3.97Å; L275-Y445 HydrophobicContact CD2-CE2 4.19Å; L275-Y445 HydrophobicContact CG-CD2 4.37Å; M278-Y445 HydrophobicContact CE-CE2 3.73Å; Y441-Y445 WeakPolarHBondContact O-CD2 3.49Å; I442-Y445 CarbonylContact O-C 3.4Å; I442-Y445 WeakPolarHBondContact O-CA 3.46Å; I442-Y445 PolarHBondContact O-N 3.18Å; Y445-G447 PolarHBondContact O-N 2.79Å; Y445-L450 HydrophobicContact CE1-CD2 4.28Å; Y445-P451 VanDerWaalsContact CD1-CD 3.47Å; Y445-P451 HydrophobicContact CD1-CG 3.68Å; Y445-P451 HydrophobicContact CD2-CG 4.16Å; Y445-P451 HydrophobicContact CE1-CG 3.41Å; Y445-P451 VanDerWaalsContact CE1-CG 3.41Å; Y445-P451 HydrophobicContact CE2-CG 3.88Å; Y445-P451 HydrophobicContact CG-CG 4.06Å; Y445-M456 PolarHBondContact OH-SD 3.39Å
446	E	78.6	Confident	81.2	Confident	92 Å²	92	56.7 Å²	56.7	43%	0.43	29%	0.289	S	S	.	.	S	Bend	trans	-64	-19.2	169.3	-78.8	169.4	-167.1	0	0	113.3	I442	I442-E446 PolarHBondContact O-N 3.06Å
447	G	71.7	Confident	80.8	Confident	37 Å²	37	53.8 Å²	53.8	38%	0.381	28%	0.275	S	S	.	.	S	Bend	trans	-77.4	162.2	178.9	0	0	0	0	0	114.2	K267 Y445 E449	K267-G447 WeakPolarHBondContact CE-O 3.45Å; K267-G447 PolarHBondContact NZ-O 2.97Å; Y445-G447 PolarHBondContact O-N 2.79Å; G447-E449 PolarHBondContact O-N 3.25Å
448	D	65.3	Low	80.5	Confident	142 Å²	142	61.2 Å²	61.2	76%	0.759	30%	0.303	S	S	*	.	S	Bend	trans	-63.8	-39.2	-177.7	-72.6	-35.5	0	0	0	113.5	K267	K267-D448 WeakPolarHBondContact CD-O 3.43Å; K267-D448 WeakPolarHBondContact CE-O 3.38Å; K267-D448 PolarHBondContact NZ-O 2.67Å
449	E	69.3	Low	80.2	Confident	166 Å²	166	61.5 Å²	61.5	78%	0.776	31%	0.306	S	S	*	.	S	Bend	trans	-92.2	160.3	-179.9	-61.6	-174.9	159.7	0	0	112.4	G447	G447-E449 PolarHBondContact O-N 3.25Å
450	L	72.2	Confident	80	Confident	66 Å²	66	58.6 Å²	58.6	35%	0.346	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-64.9	132.3	168.2	-77	172.7	0	0	0	109.6	K267 A270 L301 Y445 H452	K267-L450 HydrophobicContact CG-CD2 3.89Å; K267-L450 HydrophobicContact CG-CG 4.12Å; A270-L450 HydrophobicContact CB-CD1 4.36Å; A270-L450 HydrophobicContact CB-CD2 4.21Å; L301-L450 HydrophobicContact CD2-CD1 4.15Å; L301-L450 HydrophobicContact CD2-CD2 4.38Å; Y445-L450 HydrophobicContact CE1-CD2 4.28Å; L450-H452 PolarHBondContact O-N 2.93Å
451	P	76.9	Confident	79.8	Confident	14 Å²	14	57.7 Å²	57.7	9%	0.091	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-65.7	133.1	-173	25.4	-34.2	0	0	0	111.7	I444 Y445 M456	I444-P451 HydrophobicContact CB-CB 4.15Å; I444-P451 HydrophobicContact CB-CG 4.41Å; I444-P451 HydrophobicContact CG2-CB 3.53Å; I444-P451 HydrophobicContact CG2-CG 4.3Å; Y445-P451 VanDerWaalsContact CD1-CD 3.47Å; Y445-P451 HydrophobicContact CD1-CG 3.68Å; Y445-P451 HydrophobicContact CD2-CG 4.16Å; Y445-P451 HydrophobicContact CE1-CG 3.41Å; Y445-P451 VanDerWaalsContact CE1-CG 3.41Å; Y445-P451 HydrophobicContact CE2-CG 3.88Å; Y445-P451 HydrophobicContact CG-CG 4.06Å; P451-M456 HydrophobicContact CB-CG 4.27Å; P451-M456 HydrophobicContact CG-CG 4.09Å; P451-M456 HydrophobicContact CG-SD 4.33Å
452	H	78.8	Confident	79.8	Confident	116 Å²	116	60.3 Å²	60.3	54%	0.537	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-59.3	137	176.4	-173.9	-91.2	0	0	0	110.7	L450 K454 S455 M456	L450-H452 PolarHBondContact O-N 2.93Å; H452-K454 PolarHBondContact ND1-N 2.94Å; H452-K454 PolarHBondContact O-N 2.78Å; H452-S455 WeakPolarHBondContact O-CA 3.33Å; H452-S455 VanDerWaalsContact O-CB 3.29Å; H452-S455 WeakPolarHBondContact O-CB 3.11Å; H452-S455 PolarHBondContact O-N 3.18Å; H452-M456 PolarHBondContact O-N 3.48Å
453	P	77.9	Confident	79.8	Confident	20 Å²	20	60.1 Å²	60.1	13%	0.13	30%	0.298	C	S	.	.	H	α-helix	trans	-46.6	-36.5	-177.6	-37.5	40.3	0	0	0	117	E304 L308 S455 M456 L457	E304-P453 HydrophobicContact CB-CG 3.95Å; L308-P453 HydrophobicContact CD1-CB 3.54Å; P453-S455 VanDerWaalsContact C-N 3.32Å; P453-S455 PolarHBondContact O-N 2.82Å; P453-M456 HydrophobicContact CB-CE 4.32Å; P453-M456 HydrophobicContact CG-CE 4.09Å; P453-M456 WeakPolarHBondContact O-CB 3.44Å; P453-M456 PolarHBondContact O-N 2.62Å; P453-L457 PolarHBondContact O-N 2.98Å
454	K	80	Confident	79.9	Confident	138 Å²	138	53.1 Å²	53.1	60%	0.6	27%	0.267	S	S	*	.	H	α-helix	trans	-62.2	-34.1	173.8	-68.1	-176.9	176.6	-170.7	0	113.9	L308 H452 R458	L308-K454 HydrophobicContact CD1-CB 4.46Å; L308-K454 HydrophobicContact CD1-CG 3.56Å; H452-K454 PolarHBondContact ND1-N 2.94Å; H452-K454 PolarHBondContact O-N 2.78Å; K454-R458 WeakPolarHBondContact O-CB 3.42Å; K454-R458 PolarHBondContact O-N 3.33Å
455	S	83.6	Confident	80.1	Confident	56 Å²	56	51.6 Å²	51.6	39%	0.392	26%	0.26	S	S	.	.	H	α-helix	trans	-70.7	-38.4	176.3	-54.6	0	0	0	0	111.3	H452 P453 A459	H452-S455 WeakPolarHBondContact O-CA 3.33Å; H452-S455 VanDerWaalsContact O-CB 3.29Å; H452-S455 WeakPolarHBondContact O-CB 3.11Å; H452-S455 PolarHBondContact O-N 3.18Å; P453-S455 VanDerWaalsContact C-N 3.32Å; P453-S455 PolarHBondContact O-N 2.82Å; S455-A459 WeakPolarHBondContact O-CB 3.43Å; S455-A459 PolarHBondContact O-N 3.43Å
456	M	80	Confident	80.6	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-60.8	-49.7	172.9	-66.3	-168.9	-89.7	0	0	111.5	M278 Y305 I444 Y445 P451 H452 P453 A459 T460	M278-M456 HydrophobicContact SD-SD 4.48Å; Y305-M456 HydrophobicContact CD2-CB 3.48Å; Y305-M456 VanDerWaalsContact CD2-CB 3.48Å; Y305-M456 HydrophobicContact CD2-CE 4.45Å; Y305-M456 HydrophobicContact CD2-CG 4.49Å; Y305-M456 HydrophobicContact CD2-SD 4.35Å; Y305-M456 HydrophobicContact CE2-CB 3.61Å; I444-M456 HydrophobicContact CD1-CG 4.37Å; Y445-M456 PolarHBondContact OH-SD 3.39Å; P451-M456 HydrophobicContact CB-CG 4.27Å; P451-M456 HydrophobicContact CG-CG 4.09Å; P451-M456 HydrophobicContact CG-SD 4.33Å; H452-M456 PolarHBondContact O-N 3.48Å; P453-M456 HydrophobicContact CB-CE 4.32Å; P453-M456 HydrophobicContact CG-CE 4.09Å; P453-M456 WeakPolarHBondContact O-CB 3.44Å; P453-M456 PolarHBondContact O-N 2.62Å; M456-A459 PolarHBondContact O-N 3.3Å; M456-T460 PolarHBondContact O-N 3.12Å; M456-T460 PolarHBondContact O-OG1 3.24Å; M456-T460 VanDerWaalsContact O-OG1 3.12Å
457	L	80.7	Confident	81	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-48.8	179.4	-157.7	179.3	0	0	0	110.9	Y305 L308 E312 P453 A459 T460 A461 M517	Y305-L457 HydrophobicContact CE2-CB 4.29Å; L308-L457 VanDerWaalsContact C-CD1 3.48Å; L308-L457 HydrophobicContact CB-CD1 3.84Å; L308-L457 VanDerWaalsContact O-CD1 3.31Å; L308-L457 WeakPolarHBondContact O-CD1 3.34Å; E312-L457 HydrophobicContact CB-CD1 4.25Å; E312-L457 HydrophobicContact CB-CD2 4.36Å; E312-L457 VanDerWaalsContact CD-CD2 3.45Å; E312-L457 HydrophobicContact CG-CD1 4.01Å; E312-L457 HydrophobicContact CG-CD2 4.32Å; E312-L457 WeakPolarHBondContact OE1-CD2 3.45Å; E312-L457 WeakPolarHBondContact OE2-CD2 3.35Å; P453-L457 PolarHBondContact O-N 2.98Å; L457-A459 VanDerWaalsContact C-N 3.29Å; L457-A459 PolarHBondContact O-N 2.7Å; L457-T460 WeakPolarHBondContact O-CA 3.35Å; L457-T460 WeakPolarHBondContact O-CB 3.44Å; L457-T460 PolarHBondContact O-N 3.07Å; L457-A461 PolarHBondContact O-N 2.98Å; L457-M517 HydrophobicContact CD2-SD 4.33Å
458	R	84.3	Confident	81.9	Confident	155 Å²	155	49.3 Å²	49.3	59%	0.585	24%	0.243	S	C	*	.	H	α-helix	trans	-55.7	-43	176.7	178.7	179.1	160.5	-174.4	-10	112.2	K454 A461 E462	K454-R458 WeakPolarHBondContact O-CB 3.42Å; K454-R458 PolarHBondContact O-N 3.33Å; R458-A461 WeakPolarHBondContact O-CB 3.4Å; R458-A461 PolarHBondContact O-N 2.66Å; R458-E462 HydrophobicContact CG-CG 4.46Å; R458-E462 IonicContact CZ-OE1 2.73Å; R458-E462 IonicContact NE-OE1 2.66Å; R458-E462 PolarHBondContact NE-OE1 3.04Å; R458-E462 IonicContact NH2-OE1 2.74Å; R458-E462 PolarHBondContact NH2-OE1 3.24Å; R458-E462 WeakPolarHBondContact O-CG 3.49Å; R458-E462 PolarHBondContact O-N 3.36Å
459	A	84.8	Confident	83.1	Confident	9 Å²	9	42.8 Å²	42.8	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-67.7	-36.3	177.3	0	0	0	0	0	112.7	I444 S455 M456 L457 A461 E462 A463	I444-A459 HydrophobicContact CD1-CB 3.25Å; I444-A459 HydrophobicContact CG1-CB 3.81Å; S455-A459 WeakPolarHBondContact O-CB 3.43Å; S455-A459 PolarHBondContact O-N 3.43Å; M456-A459 PolarHBondContact O-N 3.3Å; L457-A459 VanDerWaalsContact C-N 3.29Å; L457-A459 PolarHBondContact O-N 2.7Å; A459-A461 VanDerWaalsContact C-N 3.27Å; A459-A461 PolarHBondContact O-N 2.8Å; A459-E462 PolarHBondContact O-N 2.89Å; A459-A463 WeakPolarHBondContact O-CB 3.25Å; A459-A463 PolarHBondContact O-N 3.14Å
460	T	84.7	Confident	84	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-41.3	169.5	-55.8	0	0	0	0	111	Y305 I424 Y437 Y441 M456 L457 N464 M517	Y305-T460 PolarHBondContact OH-OG1 3.15Å; I424-T460 HydrophobicContact CG2-CG2 3.41Å; I424-T460 VanDerWaalsContact CG2-CG2 3.41Å; Y437-T460 HydrophobicContact CE1-CG2 4.21Å; Y441-T460 WeakPolarHBondContact CE1-OG1 3.36Å; Y441-T460 PolarHBondContact OH-OG1 2.9Å; M456-T460 PolarHBondContact O-N 3.12Å; M456-T460 PolarHBondContact O-OG1 3.24Å; M456-T460 VanDerWaalsContact O-OG1 3.12Å; L457-T460 WeakPolarHBondContact O-CA 3.35Å; L457-T460 WeakPolarHBondContact O-CB 3.44Å; L457-T460 PolarHBondContact O-N 3.07Å; T460-N464 WeakPolarHBondContact O-CB 3.43Å; T460-N464 PolarHBondContact O-N 2.93Å; T460-M517 HydrophobicContact CG2-CE 4.12Å; T460-M517 HydrophobicContact CG2-SD 3.49Å; T460-M517 WeakPolarHBondContact CG2-SD 3.49Å
461	A	85.5	Confident	84.8	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-68.6	-41.7	175.3	0	0	0	0	0	113	L457 R458 A459 N465 M517 F522	L457-A461 PolarHBondContact O-N 2.98Å; R458-A461 WeakPolarHBondContact O-CB 3.4Å; R458-A461 PolarHBondContact O-N 2.66Å; A459-A461 VanDerWaalsContact C-N 3.27Å; A459-A461 PolarHBondContact O-N 2.8Å; A461-N465 WeakPolarHBondContact O-CB 3.36Å; A461-N465 PolarHBondContact O-N 3.24Å; A461-N465 PolarHBondContact O-ND2 2.85Å; A461-M517 HydrophobicContact CB-CB 3.67Å; A461-F522 HydrophobicContact CB-CD1 4.49Å; A461-F522 HydrophobicContact CB-CE1 3.92Å; A461-F522 HydrophobicContact CB-CZ 4.44Å
462	E	87.8	Confident	85.6	Confident	57 Å²	57	34 Å²	34	27%	0.266	18%	0.177	S	C	.	.	H	α-helix	trans	-60.4	-48.8	174.8	-72.8	-176.4	-173.6	0	0	111.1	R458 A459 N465 L466 F522	R458-E462 HydrophobicContact CG-CG 4.46Å; R458-E462 IonicContact CZ-OE1 2.73Å; R458-E462 IonicContact NE-OE1 2.66Å; R458-E462 PolarHBondContact NE-OE1 3.04Å; R458-E462 IonicContact NH2-OE1 2.74Å; R458-E462 PolarHBondContact NH2-OE1 3.24Å; R458-E462 WeakPolarHBondContact O-CG 3.49Å; R458-E462 PolarHBondContact O-N 3.36Å; A459-E462 PolarHBondContact O-N 2.89Å; E462-N465 PolarHBondContact O-N 3.28Å; E462-L466 WeakPolarHBondContact O-CB 3.39Å; E462-L466 VanDerWaalsContact O-CG 3.25Å; E462-L466 WeakPolarHBondContact O-CG 3.37Å; E462-L466 PolarHBondContact O-N 2.69Å; E462-F522 HydrophobicContact CG-CE1 4.49Å; E462-F522 HydrophobicContact CG-CZ 3.67Å
463	A	86.2	Confident	86.3	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-49.1	177.4	0	0	0	0	0	112.2	Y437 A440 A459 N465 L466 T467	Y437-A463 HydrophobicContact CD1-CB 3.59Å; Y437-A463 HydrophobicContact CE1-CB 3.72Å; Y437-A463 HydrophobicContact CG-CB 4.21Å; A440-A463 HydrophobicContact CB-CB 3.65Å; A459-A463 WeakPolarHBondContact O-CB 3.25Å; A459-A463 PolarHBondContact O-N 3.14Å; A463-N465 VanDerWaalsContact C-N 3.34Å; A463-N465 PolarHBondContact O-N 2.79Å; A463-L466 PolarHBondContact O-N 3.19Å; A463-T467 WeakPolarHBondContact O-CB 3.27Å; A463-T467 PolarHBondContact O-N 2.88Å; A463-T467 PolarHBondContact O-OG1 2.67Å; A463-T467 VanDerWaalsContact O-OG1 3.09Å
464	N	86.6	Confident	86.9	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.027	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-40.7	-179.4	179.9	-94	0	0	0	112.6	Y437 T460 A468 K516	Y437-N464 HydrophobicContact CE1-CB 4.39Å; Y437-N464 WeakPolarHBondContact OH-CA 3.36Å; Y437-N464 VanDerWaalsContact OH-CB 3.24Å; Y437-N464 WeakPolarHBondContact OH-CB 3.45Å; Y437-N464 PolarHBondContact OH-ND2 2.84Å; T460-N464 WeakPolarHBondContact O-CB 3.43Å; T460-N464 PolarHBondContact O-N 2.93Å; N464-A468 PolarHBondContact O-N 2.87Å; N464-K516 WeakPolarHBondContact OD1-CA 3.41Å; N464-K516 WeakPolarHBondContact OD1-CB 3.34Å; N464-K516 VanDerWaalsContact OD1-CG 3.31Å; N464-K516 WeakPolarHBondContact OD1-CG 3.33Å
465	N	89	Confident	87.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69	-41.4	174.9	-82.5	-89.9	0	0	0	112	A461 E462 A463 T467 A468 V469 M517 Y526	A461-N465 WeakPolarHBondContact O-CB 3.36Å; A461-N465 PolarHBondContact O-N 3.24Å; A461-N465 PolarHBondContact O-ND2 2.85Å; E462-N465 PolarHBondContact O-N 3.28Å; A463-N465 VanDerWaalsContact C-N 3.34Å; A463-N465 PolarHBondContact O-N 2.79Å; N465-T467 VanDerWaalsContact C-N 3.34Å; N465-T467 PolarHBondContact O-N 2.94Å; N465-A468 PolarHBondContact O-N 2.86Å; N465-V469 WeakPolarHBondContact O-CG2 3.29Å; N465-V469 PolarHBondContact O-N 2.89Å; N465-M517 PolarHBondContact ND2-O 3.13Å; N465-Y526 HydrophobicContact CB-CD1 3.8Å; N465-Y526 HydrophobicContact CB-CD2 3.63Å; N465-Y526 HydrophobicContact CB-CE1 4.05Å; N465-Y526 HydrophobicContact CB-CE2 3.91Å; N465-Y526 HydrophobicContact CB-CG 3.58Å
466	L	89	Confident	88.1	Confident	59 Å²	59	28.1 Å²	28.1	31%	0.309	15%	0.146	S	C	.	.	H	α-helix	trans	-59.3	-44.3	174.3	-75.4	168.8	0	0	0	111.9	E462 A463 V469 A470 Y526	E462-L466 WeakPolarHBondContact O-CB 3.39Å; E462-L466 VanDerWaalsContact O-CG 3.25Å; E462-L466 WeakPolarHBondContact O-CG 3.37Å; E462-L466 PolarHBondContact O-N 2.69Å; A463-L466 PolarHBondContact O-N 3.19Å; L466-V469 PolarHBondContact O-N 3.49Å; L466-A470 WeakPolarHBondContact O-CB 3.49Å; L466-A470 PolarHBondContact O-N 3.25Å; L466-Y526 HydrophobicContact CD2-CD1 4.44Å; L466-Y526 HydrophobicContact CD2-CE1 3.84Å; L466-Y526 HydrophobicContact CG-CE1 3.87Å
467	T	87.3	Confident	88.7	Confident	18 Å²	18	28.8 Å²	28.8	11%	0.11	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-48.1	173.8	-67.2	0	0	0	0	111.7	D433 A463 N465 V469 A470 G471	D433-T467 HydrophobicContact CB-CG2 3.77Å; D433-T467 WeakPolarHBondContact OD1-CG2 3.39Å; A463-T467 WeakPolarHBondContact O-CB 3.27Å; A463-T467 PolarHBondContact O-N 2.88Å; A463-T467 PolarHBondContact O-OG1 2.67Å; A463-T467 VanDerWaalsContact O-OG1 3.09Å; N465-T467 VanDerWaalsContact C-N 3.34Å; N465-T467 PolarHBondContact O-N 2.94Å; T467-V469 VanDerWaalsContact C-N 3.35Å; T467-V469 PolarHBondContact O-N 3.39Å; T467-A470 PolarHBondContact O-N 3.04Å; T467-G471 PolarHBondContact O-N 2.81Å
468	A	89.4	Confident	89.3	Confident	5 Å²	5	32.6 Å²	32.6	4%	0.041	17%	0.17	C	C	.	.	H	α-helix	trans	-63.2	-37.6	177.7	0	0	0	0	0	112.8	N464 N465 A472 F511 V514 K516	N464-A468 PolarHBondContact O-N 2.87Å; N465-A468 PolarHBondContact O-N 2.86Å; A468-A472 WeakPolarHBondContact O-CB 3.47Å; A468-A472 PolarHBondContact O-N 3.42Å; A468-F511 HydrophobicContact CB-CD2 3.69Å; A468-F511 HydrophobicContact CB-CE2 3.69Å; A468-V514 HydrophobicContact CB-CB 4.37Å; A468-V514 HydrophobicContact CB-CG1 4.19Å; A468-K516 HydrophobicContact CB-CD 3.94Å; A468-K516 HydrophobicContact CB-CG 4.48Å
469	V	91.4	Very high	89.7	Confident	6 Å²	6	26.1 Å²	26.1	4%	0.036	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-44.8	172.1	171.4	0	0	0	0	110.9	N465 L466 T467 G471 A472 K473 F511 Y526 L530	N465-V469 WeakPolarHBondContact O-CG2 3.29Å; N465-V469 PolarHBondContact O-N 2.89Å; L466-V469 PolarHBondContact O-N 3.49Å; T467-V469 VanDerWaalsContact C-N 3.35Å; T467-V469 PolarHBondContact O-N 3.39Å; V469-G471 PolarHBondContact O-N 3.39Å; V469-A472 PolarHBondContact O-N 2.88Å; V469-K473 VanDerWaalsContact O-CB 3.3Å; V469-K473 WeakPolarHBondContact O-CB 3.43Å; V469-K473 PolarHBondContact O-N 3.12Å; V469-F511 HydrophobicContact CG2-CD2 4.1Å; V469-F511 HydrophobicContact CG2-CE2 3.66Å; V469-F511 HydrophobicContact CG2-CZ 4.46Å; V469-Y526 HydrophobicContact CG2-CD1 4.25Å; V469-Y526 WeakPolarHBondContact CG2-O 3.31Å; V469-L530 HydrophobicContact CG1-CB 4.21Å; V469-L530 HydrophobicContact CG1-CD1 4.11Å; V469-L530 HydrophobicContact CG2-CB 4.25Å
470	A	88.8	Confident	90.1	Very high	41 Å²	41	25.7 Å²	25.7	34%	0.339	14%	0.144	S	C	.	.	H	α-helix	trans	-63.8	-39.9	179.5	0	0	0	0	0	112.6	L466 T467 D474	L466-A470 WeakPolarHBondContact O-CB 3.49Å; L466-A470 PolarHBondContact O-N 3.25Å; T467-A470 PolarHBondContact O-N 3.04Å; A470-D474 WeakPolarHBondContact O-CB 3.35Å; A470-D474 PolarHBondContact O-N 2.92Å
471	G	88.7	Confident	90.4	Very high	21 Å²	21	31 Å²	31	22%	0.216	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-44.1	173.7	0	0	0	0	0	113	T467 V469 K473 D474 L475	T467-G471 PolarHBondContact O-N 2.81Å; V469-G471 PolarHBondContact O-N 3.39Å; G471-K473 VanDerWaalsContact C-N 3.34Å; G471-K473 PolarHBondContact O-N 2.98Å; G471-D474 PolarHBondContact O-N 3.37Å; G471-L475 WeakPolarHBondContact O-CB 3.29Å; G471-L475 PolarHBondContact O-N 3.2Å
472	A	93.3	Very high	90.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-39.3	176	0	0	0	0	0	112.5	A468 V469 L475 Y476 S507 F510 F511 L530	A468-A472 WeakPolarHBondContact O-CB 3.47Å; A468-A472 PolarHBondContact O-N 3.42Å; V469-A472 PolarHBondContact O-N 2.88Å; A472-L475 PolarHBondContact O-N 2.91Å; A472-Y476 PolarHBondContact O-N 3.13Å; A472-S507 WeakPolarHBondContact CB-O 3.44Å; A472-S507 WeakPolarHBondContact O-CB 3.17Å; A472-S507 PolarHBondContact O-OG 2.83Å; A472-F510 HydrophobicContact CB-CD1 3.95Å; A472-F511 HydrophobicContact CB-CB 4.13Å; A472-L530 HydrophobicContact CB-CD1 3.82Å; A472-L530 HydrophobicContact CB-CD2 3.59Å; A472-L530 HydrophobicContact CB-CG 4.38Å
473	K	93	Very high	90.6	Very high	82 Å²	82	36.4 Å²	36.4	36%	0.357	20%	0.195	S	C	.	.	H	α-helix	trans	-68.2	-38	177.3	-170.4	176.4	-175.4	176.9	0	112.6	V469 G471 G477 L530 E533 L534	V469-K473 VanDerWaalsContact O-CB 3.3Å; V469-K473 WeakPolarHBondContact O-CB 3.43Å; V469-K473 PolarHBondContact O-N 3.12Å; G471-K473 VanDerWaalsContact C-N 3.34Å; G471-K473 PolarHBondContact O-N 2.98Å; K473-G477 PolarHBondContact O-N 3.29Å; K473-L530 HydrophobicContact CB-CD1 4.42Å; K473-E533 IonicContact NZ-OE2 2.73Å; K473-E533 PolarHBondContact NZ-OE2 3Å; K473-L534 HydrophobicContact CG-CD2 4.48Å
474	D	90.9	Very high	90.4	Very high	57 Å²	57	36.4 Å²	36.4	31%	0.305	19%	0.194	S	C	.	.	H	α-helix	trans	-66.6	-42.9	173.9	175.6	83.5	0	0	0	112	A470 G471 Y476 G477 K478	A470-D474 WeakPolarHBondContact O-CB 3.35Å; A470-D474 PolarHBondContact O-N 2.92Å; G471-D474 PolarHBondContact O-N 3.37Å; D474-Y476 PolarHBondContact O-N 3.04Å; D474-G477 PolarHBondContact O-N 2.89Å; D474-K478 VanDerWaalsContact CG-NZ 3.32Å; D474-K478 WeakPolarHBondContact O-CB 3.43Å; D474-K478 WeakPolarHBondContact O-CG 3.11Å; D474-K478 PolarHBondContact O-N 2.86Å; D474-K478 WeakPolarHBondContact OD1-CE 3.29Å; D474-K478 IonicContact OD1-NZ 2.73Å; D474-K478 PolarHBondContact OD1-NZ 3.1Å; D474-K478 WeakPolarHBondContact OD2-CD 3.42Å; D474-K478 WeakPolarHBondContact OD2-CE 3.3Å; D474-K478 IonicContact OD2-NZ 2.69Å; D474-K478 PolarHBondContact OD2-NZ 2.89Å
475	L	92.8	Very high	90.3	Very high	64 Å²	64	36.7 Å²	36.7	34%	0.335	20%	0.199	S	C	.	.	H	α-helix	trans	-58.4	-45.2	173.1	178.2	62.2	0	0	0	112	G471 A472 S479 F510	G471-L475 WeakPolarHBondContact O-CB 3.29Å; G471-L475 PolarHBondContact O-N 3.2Å; A472-L475 PolarHBondContact O-N 2.91Å; L475-S479 WeakPolarHBondContact O-CB 3.42Å; L475-S479 PolarHBondContact O-N 3.47Å; L475-S479 VanDerWaalsContact O-N 3.15Å; L475-S479 PolarHBondContact O-OG 2.9Å; L475-F510 HydrophobicContact CD2-CB 3.75Å; L475-F510 HydrophobicContact CD2-CD1 4.48Å; L475-F510 HydrophobicContact CD2-CD2 4.2Å; L475-F510 HydrophobicContact CD2-CG 3.89Å
476	Y	95.4	Very high	89.8	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-49.6	173.8	176.7	-100.4	0	0	0	112	A472 D474 S479 M480 H500 F503 S507 L534 A537 Y538 F541	A472-Y476 PolarHBondContact O-N 3.13Å; D474-Y476 PolarHBondContact O-N 3.04Å; Y476-S479 PolarHBondContact O-N 2.72Å; Y476-S479 VanDerWaalsContact O-N 3.07Å; Y476-M480 HydrophobicContact CD1-CG 4.15Å; Y476-M480 HydrophobicContact CD2-CG 4.2Å; Y476-M480 HydrophobicContact CE1-CG 3.66Å; Y476-M480 HydrophobicContact CE2-CG 3.7Å; Y476-M480 HydrophobicContact CE2-SD 4.05Å; Y476-M480 HydrophobicContact CG-CG 4.4Å; Y476-M480 PolarHBondContact O-N 2.77Å; Y476-H500 AromaticContact CE2-ND1 3.59Å; Y476-H500 AromaticContact CZ-ND1 3.57Å; Y476-H500 PolarHBondContact OH-ND1 2.82Å; Y476-F503 HydrophobicContact CD2-CB 3.81Å; Y476-F503 HydrophobicContact CE2-CB 4.11Å; Y476-S507 WeakPolarHBondContact CB-OG 3.46Å; Y476-L534 HydrophobicContact CD1-CD2 3.63Å; Y476-L534 HydrophobicContact CD2-CD2 4.2Å; Y476-L534 HydrophobicContact CE1-CD2 4.35Å; Y476-L534 HydrophobicContact CG-CD2 3.54Å; Y476-A537 HydrophobicContact CD1-CB 4.43Å; Y476-A537 HydrophobicContact CE1-CB 3.9Å; Y476-Y538 WeakPolarHBondContact OH-CB 3.43Å; Y476-F541 HydrophobicContact CE1-CD2 4.23Å; Y476-F541 HydrophobicContact CE1-CE2 4.1Å
477	G	93.6	Very high	89.1	Confident	16 Å²	16	44.5 Å²	44.5	17%	0.165	25%	0.253	C	S	.	.	H	α-helix	trans	-56.9	-53.5	180	0	0	0	0	0	112.1	K473 D474 S479 M480 E481	K473-G477 PolarHBondContact O-N 3.29Å; D474-G477 PolarHBondContact O-N 2.89Å; G477-S479 PolarHBondContact O-N 3.35Å; G477-S479 VanDerWaalsContact O-N 3.12Å; G477-M480 PolarHBondContact O-N 3.49Å; G477-E481 WeakPolarHBondContact O-CB 3.41Å; G477-E481 WeakPolarHBondContact O-CG 3.46Å; G477-E481 PolarHBondContact O-N 3.01Å
478	K	92.4	Very high	88.7	Confident	85 Å²	85	49.9 Å²	49.9	37%	0.37	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-21.7	176	-71.8	171.5	177.4	165	0	113.4	D474 K482	D474-K478 VanDerWaalsContact CG-NZ 3.32Å; D474-K478 WeakPolarHBondContact O-CB 3.43Å; D474-K478 WeakPolarHBondContact O-CG 3.11Å; D474-K478 PolarHBondContact O-N 2.86Å; D474-K478 WeakPolarHBondContact OD1-CE 3.29Å; D474-K478 IonicContact OD1-NZ 2.73Å; D474-K478 PolarHBondContact OD1-NZ 3.1Å; D474-K478 WeakPolarHBondContact OD2-CD 3.42Å; D474-K478 WeakPolarHBondContact OD2-CE 3.3Å; D474-K478 IonicContact OD2-NZ 2.69Å; D474-K478 PolarHBondContact OD2-NZ 2.89Å; K478-K482 WeakPolarHBondContact O-CD 3.23Å; K478-K482 VanDerWaalsContact O-CE 3.25Å; K478-K482 WeakPolarHBondContact O-CE 3.31Å; K478-K482 WeakPolarHBondContact O-CG 3.19Å
479	S	93.9	Very high	87.9	Confident	19 Å²	19	53.8 Å²	53.8	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-87.7	-42.8	177.2	-57.9	0	0	0	0	112	L475 Y476 G477 K482 F503	L475-S479 WeakPolarHBondContact O-CB 3.42Å; L475-S479 PolarHBondContact O-N 3.47Å; L475-S479 VanDerWaalsContact O-N 3.15Å; L475-S479 PolarHBondContact O-OG 2.9Å; Y476-S479 PolarHBondContact O-N 2.72Å; Y476-S479 VanDerWaalsContact O-N 3.07Å; G477-S479 PolarHBondContact O-N 3.35Å; G477-S479 VanDerWaalsContact O-N 3.12Å; S479-K482 PolarHBondContact O-N 2.73Å; S479-F503 WeakPolarHBondContact O-CE2 3.3Å
480	M	93.1	Very high	87.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-43.6	172.6	-71.6	-64.3	-71.5	0	0	111.8	Y476 G477 K482 V483 C484 L496 F503 Y538 F541	Y476-M480 HydrophobicContact CD1-CG 4.15Å; Y476-M480 HydrophobicContact CD2-CG 4.2Å; Y476-M480 HydrophobicContact CE1-CG 3.66Å; Y476-M480 HydrophobicContact CE2-CG 3.7Å; Y476-M480 HydrophobicContact CE2-SD 4.05Å; Y476-M480 HydrophobicContact CG-CG 4.4Å; Y476-M480 PolarHBondContact O-N 2.77Å; G477-M480 PolarHBondContact O-N 3.49Å; M480-K482 VanDerWaalsContact C-N 3.3Å; M480-K482 PolarHBondContact O-N 2.74Å; M480-V483 PolarHBondContact O-N 3.2Å; M480-C484 PolarHBondContact O-N 2.85Å; M480-C484 PolarHBondContact O-SG 3.33Å; M480-L496 HydrophobicContact CE-CD1 4Å; M480-F503 HydrophobicContact CG-CD2 4.26Å; M480-F503 HydrophobicContact SD-CD2 3.79Å; M480-F503 HydrophobicContact SD-CE2 4.34Å; M480-Y538 HydrophobicContact CE-CD2 4.1Å; M480-F541 HydrophobicContact CB-CD1 4.19Å; M480-F541 HydrophobicContact CB-CD2 3.77Å; M480-F541 HydrophobicContact CB-CE1 3.97Å; M480-F541 HydrophobicContact CB-CE2 3.52Å; M480-F541 HydrophobicContact CB-CG 4.1Å; M480-F541 HydrophobicContact CB-CZ 3.64Å; M480-F541 HydrophobicContact CE-CB 3.69Å; M480-F541 HydrophobicContact CE-CD2 3.99Å; M480-F541 HydrophobicContact CE-CG 3.93Å; M480-F541 HydrophobicContact CG-CD2 3.93Å; M480-F541 HydrophobicContact CG-CE2 3.94Å
481	E	91	Very high	86.9	Confident	112 Å²	112	57.6 Å²	57.6	52%	0.523	31%	0.305	S	S	.	.	H	α-helix	trans	-59.5	-39	178.1	-75.4	177.5	171.1	0	0	112.7	G477 V483 G485 F541	G477-E481 WeakPolarHBondContact O-CB 3.41Å; G477-E481 WeakPolarHBondContact O-CG 3.46Å; G477-E481 PolarHBondContact O-N 3.01Å; E481-V483 PolarHBondContact O-N 3.21Å; E481-G485 VanDerWaalsContact O-CA 3.29Å; E481-G485 WeakPolarHBondContact O-CA 3.37Å; E481-G485 PolarHBondContact O-N 3.21Å; E481-F541 HydrophobicContact CG-CE1 4.02Å; E481-F541 HydrophobicContact CG-CZ 4.17Å
482	K	89.4	Confident	86.5	Confident	137 Å²	137	58.5 Å²	58.5	60%	0.596	31%	0.31	S	S	*	.	H	α-helix	trans	-60.8	-24	174.7	-74.6	166.6	-168.7	168	0	113.3	K478 S479 M480 R488	K478-K482 WeakPolarHBondContact O-CD 3.23Å; K478-K482 VanDerWaalsContact O-CE 3.25Å; K478-K482 WeakPolarHBondContact O-CE 3.31Å; K478-K482 WeakPolarHBondContact O-CG 3.19Å; S479-K482 PolarHBondContact O-N 2.73Å; M480-K482 VanDerWaalsContact C-N 3.3Å; M480-K482 PolarHBondContact O-N 2.74Å; K482-R488 PolarHBondContact O-NE 3.01Å; K482-R488 PolarHBondContact O-NH2 3.43Å
483	V	86.9	Confident	86.1	Confident	35 Å²	35	61.8 Å²	61.8	21%	0.212	33%	0.331	C	S	.	.	H	α-helix	trans	-101.9	-49.7	-176.6	177.2	0	0	0	0	112.2	M480 E481 R488 M491 F503	M480-V483 PolarHBondContact O-N 3.2Å; E481-V483 PolarHBondContact O-N 3.21Å; V483-R488 VanDerWaalsContact O-CB 3.28Å; V483-R488 WeakPolarHBondContact O-CB 3.27Å; V483-R488 WeakPolarHBondContact O-CG 3.43Å; V483-M491 HydrophobicContact CG1-CE 3.48Å; V483-M491 VanDerWaalsContact CG1-CE 3.48Å; V483-M491 HydrophobicContact CG1-SD 3.57Å; V483-M491 VanDerWaalsContact CG1-SD 3.57Å; V483-F503 HydrophobicContact CB-CE2 4.49Å; V483-F503 HydrophobicContact CG2-CE2 3.74Å; V483-F503 HydrophobicContact CG2-CZ 3.79Å
484	C	83	Confident	85.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-124	5.1	-172.8	69.6	0	0	0	0	115.2	M480 L496 K548	M480-C484 PolarHBondContact O-N 2.85Å; M480-C484 PolarHBondContact O-SG 3.33Å; C484-L496 HydrophobicContact CB-CD1 3.7Å; C484-K548 PolarHBondContact O-NZ 3.35Å
485	G	84.6	Confident	85.5	Confident	11 Å²	11	62.4 Å²	62.4	11%	0.113	35%	0.348	C	S	.	.	S	Bend	trans	-60.7	169.6	176	0	0	0	0	0	113.7	E481 D487 R488 K548	E481-G485 VanDerWaalsContact O-CA 3.29Å; E481-G485 WeakPolarHBondContact O-CA 3.37Å; E481-G485 PolarHBondContact O-N 3.21Å; G485-D487 PolarHBondContact O-N 3.16Å; G485-D487 VanDerWaalsContact O-N 3.13Å; G485-R488 WeakPolarHBondContact O-CB 3.31Å; G485-R488 PolarHBondContact O-N 3.17Å; G485-K548 PolarHBondContact O-NZ 2.92Å
486	G	78	Confident	85.2	Confident	52 Å²	52	59.4 Å²	59.4	54%	0.536	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.6	-58.2	-164.1	0	0	0	0	0	115.9	R488 K548	G486-R488 PolarHBondContact O-N 3.27Å; G486-K548 WeakPolarHBondContact O-CE 3.49Å; G486-K548 PolarHBondContact O-NZ 2.98Å
487	D	74.6	Confident	85	Confident	172 Å²	172	64.2 Å²	64.2	92%	0.92	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.7	-175.1	-52.6	-63.1	0	0	0	115.1	G485	G485-D487 PolarHBondContact O-N 3.16Å; G485-D487 VanDerWaalsContact O-N 3.13Å
488	R	77.6	Confident	85	Confident	130 Å²	130	72.1 Å²	72.1	49%	0.491	38%	0.38	S	S	.	.	S	Bend	trans	-82.1	145.1	177.6	-62.1	-56.1	-154.4	-166.3	4.5	111.8	K482 V483 G485 G486 K548	K482-R488 PolarHBondContact O-NE 3.01Å; K482-R488 PolarHBondContact O-NH2 3.43Å; V483-R488 VanDerWaalsContact O-CB 3.28Å; V483-R488 WeakPolarHBondContact O-CB 3.27Å; V483-R488 WeakPolarHBondContact O-CG 3.43Å; G485-R488 WeakPolarHBondContact O-CB 3.31Å; G485-R488 PolarHBondContact O-N 3.17Å; G486-R488 PolarHBondContact O-N 3.27Å; R488-K548 WeakPolarHBondContact O-CE 3.44Å; R488-K548 PolarHBondContact O-NZ 3.28Å
489	P	74.4	Confident	84.9	Confident	87 Å²	87	69.7 Å²	69.7	57%	0.565	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-61.8	169.4	174.5	28.9	-36.2	0	0	0	112
490	Y	80.1	Confident	84.9	Confident	78 Å²	78	69.8 Å²	69.8	31%	0.306	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-61.6	134.5	170.9	172.3	-105.6	0	0	0	111.1	N545 N549	Y490-N545 WeakPolarHBondContact CD2-O 3.26Å; Y490-N545 WeakPolarHBondContact CD2-OD1 3.21Å; Y490-N545 WeakPolarHBondContact CE2-ND2 3.08Å; Y490-N549 HydrophobicContact CD2-CB 3.91Å; Y490-N549 HydrophobicContact CE2-CB 3.81Å; Y490-N549 HydrophobicContact CG-CB 4.41Å
491	M	77.6	Confident	85	Confident	50 Å²	50	76.1 Å²	76.1	25%	0.246	40%	0.401	C	S	.	.			trans	-107.6	144.1	173.1	-179.2	162.6	-79.2	0	0	110.3	V483 D495 L496 N545	V483-M491 HydrophobicContact CG1-CE 3.48Å; V483-M491 VanDerWaalsContact CG1-CE 3.48Å; V483-M491 HydrophobicContact CG1-SD 3.57Å; V483-M491 VanDerWaalsContact CG1-SD 3.57Å; M491-D495 HydrophobicContact CG-CB 3.79Å; M491-D495 HydrophobicContact SD-CB 4.04Å; M491-L496 HydrophobicContact CG-CB 4.09Å; M491-L496 HydrophobicContact SD-CB 4.18Å; M491-L496 HydrophobicContact SD-CD1 4.16Å; M491-N545 PolarHBondContact N-OD1 3.47Å; M491-N545 PolarHBondContact O-ND2 2.87Å
492	A	80.9	Confident	85.2	Confident	40 Å²	40	72.9 Å²	72.9	33%	0.331	39%	0.393	S	S	.	.			trans	-66.9	146.8	175.5	0	0	0	0	0	110.8	A494 D495 L496	A492-A494 VanDerWaalsContact C-N 3.32Å; A492-A494 PolarHBondContact O-N 3.14Å; A492-D495 PolarHBondContact O-N 3.19Å; A492-D495 VanDerWaalsContact O-N 3.11Å; A492-L496 PolarHBondContact O-N 2.92Å
493	P	85.2	Confident	85.5	Confident	68 Å²	68	68.4 Å²	68.4	44%	0.442	37%	0.373	S	S	.	.	H	α-helix	trans	-59.3	-39.2	-172.8	-26.9	36.2	0	0	0	113.7	D495 L496 E497	P493-D495 PolarHBondContact O-N 3.02Å; P493-L496 PolarHBondContact O-N 3.34Å; P493-E497 VanDerWaalsContact O-CB 3.27Å; P493-E497 WeakPolarHBondContact O-CB 3.34Å; P493-E497 PolarHBondContact O-N 3.2Å
494	A	85.1	Confident	85.8	Confident	69 Å²	69	67.6 Å²	67.6	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-67	-34.2	178.5	0	0	0	0	0	113.4	A492 R498	A492-A494 VanDerWaalsContact C-N 3.32Å; A492-A494 PolarHBondContact O-N 3.14Å; A494-R498 WeakPolarHBondContact O-CB 3.3Å; A494-R498 PolarHBondContact O-N 3.19Å
495	D	84.9	Confident	86.4	Confident	84 Å²	84	74.7 Å²	74.7	45%	0.449	40%	0.4	S	S	.	.	H	α-helix	trans	-72.7	-38.1	174.8	-64.9	-48.6	0	0	0	111	M491 A492 P493 R498 C499	M491-D495 HydrophobicContact CG-CB 3.79Å; M491-D495 HydrophobicContact SD-CB 4.04Å; A492-D495 PolarHBondContact O-N 3.19Å; A492-D495 VanDerWaalsContact O-N 3.11Å; P493-D495 PolarHBondContact O-N 3.02Å; D495-R498 PolarHBondContact O-N 2.81Å; D495-C499 PolarHBondContact O-N 3.16Å; D495-C499 PolarHBondContact O-SG 3.28Å
496	L	87.3	Confident	86.8	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-67.3	-40.1	176.4	-171.7	66.8	0	0	0	111.7	M480 C484 M491 A492 P493 C499 H500 Y538 N545	M480-L496 HydrophobicContact CE-CD1 4Å; C484-L496 HydrophobicContact CB-CD1 3.7Å; M491-L496 HydrophobicContact CG-CB 4.09Å; M491-L496 HydrophobicContact SD-CB 4.18Å; M491-L496 HydrophobicContact SD-CD1 4.16Å; A492-L496 PolarHBondContact O-N 2.92Å; P493-L496 PolarHBondContact O-N 3.34Å; L496-C499 PolarHBondContact O-N 2.9Å; L496-H500 WeakPolarHBondContact O-CB 3.41Å; L496-H500 PolarHBondContact O-N 3.44Å; L496-Y538 HydrophobicContact CD2-CE2 4.49Å; L496-Y538 HydrophobicContact CG-CE2 4.2Å; L496-N545 HydrophobicContact CD2-CB 3.95Å
497	E	91.6	Very high	87.6	Confident	103 Å²	103	76 Å²	76	48%	0.481	39%	0.392	S	S	.	.	H	α-helix	trans	-64	-45.8	175.1	-171.8	158.9	-124.2	0	0	111.1	P493 C499 H500 E501 Y538	P493-E497 VanDerWaalsContact O-CB 3.27Å; P493-E497 WeakPolarHBondContact O-CB 3.34Å; P493-E497 PolarHBondContact O-N 3.2Å; E497-C499 VanDerWaalsContact C-N 3.32Å; E497-C499 PolarHBondContact O-N 2.79Å; E497-H500 WeakPolarHBondContact O-CB 3.28Å; E497-H500 PolarHBondContact O-N 2.71Å; E497-H500 VanDerWaalsContact O-N 3.12Å; E497-E501 PolarHBondContact O-N 3.24Å; E497-Y538 WeakPolarHBondContact CA-OH 3.42Å; E497-Y538 WeakPolarHBondContact CB-OH 3.06Å
498	R	92.4	Very high	88.6	Confident	183 Å²	183	68.4 Å²	68.4	69%	0.691	35%	0.352	S	S	*	.	H	α-helix	trans	-61.3	-37.5	173.6	-175.7	-179.5	177.3	-167.4	-0.7	112.9	A494 D495 A502	A494-R498 WeakPolarHBondContact O-CB 3.3Å; A494-R498 PolarHBondContact O-N 3.19Å; D495-R498 PolarHBondContact O-N 2.81Å; R498-A502 PolarHBondContact O-N 3.13Å
499	C	92.1	Very high	89.4	Confident	33 Å²	33	66.1 Å²	66.1	22%	0.223	35%	0.353	C	S	.	.	H	α-helix	trans	-68.4	-39.6	173.1	-68.7	0	0	0	0	111.8	D495 L496 E497 A502 F503	D495-C499 PolarHBondContact O-N 3.16Å; D495-C499 PolarHBondContact O-SG 3.28Å; L496-C499 PolarHBondContact O-N 2.9Å; E497-C499 VanDerWaalsContact C-N 3.32Å; E497-C499 PolarHBondContact O-N 2.79Å; C499-A502 PolarHBondContact O-N 2.91Å; C499-F503 HydrophobicContact CB-CE2 4.12Å; C499-F503 VanDerWaalsContact O-CD2 3.27Å; C499-F503 WeakPolarHBondContact O-CD2 3.49Å; C499-F503 VanDerWaalsContact O-CG 3.31Å; C499-F503 WeakPolarHBondContact O-CG 3.47Å; C499-F503 PolarHBondContact O-N 3.25Å
500	H	94.1	Very high	90.2	Very high	22 Å²	22	65.8 Å²	65.8	10%	0.102	34%	0.343	C	S	.	.	H	α-helix	trans	-60.2	-49.3	174.2	164.3	64.5	0	0	0	111.9	Y476 L496 E497 A502 F503 C504 Y538	Y476-H500 AromaticContact CE2-ND1 3.59Å; Y476-H500 AromaticContact CZ-ND1 3.57Å; Y476-H500 PolarHBondContact OH-ND1 2.82Å; L496-H500 WeakPolarHBondContact O-CB 3.41Å; L496-H500 PolarHBondContact O-N 3.44Å; E497-H500 WeakPolarHBondContact O-CB 3.28Å; E497-H500 PolarHBondContact O-N 2.71Å; E497-H500 VanDerWaalsContact O-N 3.12Å; H500-A502 VanDerWaalsContact C-N 3.31Å; H500-A502 PolarHBondContact O-N 2.95Å; H500-F503 PolarHBondContact O-N 3.02Å; H500-C504 WeakPolarHBondContact O-CB 3.42Å; H500-C504 PolarHBondContact O-N 3.34Å; H500-Y538 HydrophobicContact CB-CD2 3.49Å; H500-Y538 VanDerWaalsContact CB-CD2 3.49Å; H500-Y538 HydrophobicContact CB-CE2 3.54Å; H500-Y538 HydrophobicContact CB-CG 4.19Å; H500-Y538 AromaticContact CD2-CD1 3.93Å; H500-Y538 AromaticContact CD2-CG 3.85Å; H500-Y538 AromaticContact CE1-CG 3.92Å; H500-Y538 AromaticContact CG-CD2 3.46Å; H500-Y538 VanDerWaalsContact CG-CD2 3.46Å; H500-Y538 AromaticContact CG-CE2 3.88Å; H500-Y538 AromaticContact CG-CG 3.63Å; H500-Y538 AromaticContact ND1-CD2 3.76Å; H500-Y538 AromaticContact ND1-CG 3.69Å
501	E	94.8	Very high	90.8	Very high	133 Å²	133	62.2 Å²	62.2	62%	0.621	33%	0.329	S	S	*	.	H	α-helix	trans	-56.3	-44.7	177.5	-72.4	-173	149.4	0	0	111.9	E497 K505	E497-E501 PolarHBondContact O-N 3.24Å; E501-K505 WeakPolarHBondContact O-CB 3.5Å; E501-K505 PolarHBondContact O-N 2.87Å
502	A	94.6	Very high	91.4	Very high	43 Å²	43	67.2 Å²	67.2	36%	0.355	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-56.7	177.4	0	0	0	0	0	111.8	R498 C499 H500 C504 K505 D506	R498-A502 PolarHBondContact O-N 3.13Å; C499-A502 PolarHBondContact O-N 2.91Å; H500-A502 VanDerWaalsContact C-N 3.31Å; H500-A502 PolarHBondContact O-N 2.95Å; A502-C504 VanDerWaalsContact C-N 3.29Å; A502-C504 PolarHBondContact O-N 3.11Å; A502-K505 WeakPolarHBondContact O-CB 3.47Å; A502-K505 PolarHBondContact O-N 3.48Å; A502-K505 VanDerWaalsContact O-N 3.14Å; A502-D506 VanDerWaalsContact O-CG 3.29Å; A502-D506 PolarHBondContact O-N 3.3Å
503	F	95.4	Very high	91.7	Very high	43 Å²	43	69.4 Å²	69.4	19%	0.189	36%	0.358	C	S	.	.	H	α-helix	trans	-67.4	-28.6	-177.8	-58.3	-32	0	0	0	113.2	Y476 S479 M480 V483 C499 H500 S507	Y476-F503 HydrophobicContact CD2-CB 3.81Å; Y476-F503 HydrophobicContact CE2-CB 4.11Å; S479-F503 WeakPolarHBondContact O-CE2 3.3Å; M480-F503 HydrophobicContact CG-CD2 4.26Å; M480-F503 HydrophobicContact SD-CD2 3.79Å; M480-F503 HydrophobicContact SD-CE2 4.34Å; V483-F503 HydrophobicContact CB-CE2 4.49Å; V483-F503 HydrophobicContact CG2-CE2 3.74Å; V483-F503 HydrophobicContact CG2-CZ 3.79Å; C499-F503 HydrophobicContact CB-CE2 4.12Å; C499-F503 VanDerWaalsContact O-CD2 3.27Å; C499-F503 WeakPolarHBondContact O-CD2 3.49Å; C499-F503 VanDerWaalsContact O-CG 3.31Å; C499-F503 WeakPolarHBondContact O-CG 3.47Å; C499-F503 PolarHBondContact O-N 3.25Å; H500-F503 PolarHBondContact O-N 3.02Å; F503-S507 VanDerWaalsContact O-CB 3.29Å; F503-S507 WeakPolarHBondContact O-CB 3.4Å; F503-S507 PolarHBondContact O-N 3.04Å; F503-S507 PolarHBondContact O-OG 2.84Å
504	C	94.4	Very high	91.7	Very high	18 Å²	18	67.9 Å²	67.9	12%	0.122	35%	0.347	C	S	.	.	H	α-helix	trans	-65.2	-48.1	171.9	-173.1	0	0	0	0	110.3	H500 A502 D506 S507 V508 L534	H500-C504 WeakPolarHBondContact O-CB 3.42Å; H500-C504 PolarHBondContact O-N 3.34Å; A502-C504 VanDerWaalsContact C-N 3.29Å; A502-C504 PolarHBondContact O-N 3.11Å; C504-D506 PolarHBondContact O-N 3.49Å; C504-S507 PolarHBondContact O-N 3.19Å; C504-V508 WeakPolarHBondContact O-CG2 3.36Å; C504-V508 PolarHBondContact O-N 2.94Å; C504-L534 HydrophobicContact CB-CD1 4.48Å
505	K	94.6	Very high	91.6	Very high	149 Å²	149	71.5 Å²	71.5	65%	0.648	35%	0.35	S	S	*	.	H	α-helix	trans	-60.9	-42.7	174.6	-175.5	-179.2	177.4	-175.6	0	112.3	E501 A502 S507 V508 T509	E501-K505 WeakPolarHBondContact O-CB 3.5Å; E501-K505 PolarHBondContact O-N 2.87Å; A502-K505 WeakPolarHBondContact O-CB 3.47Å; A502-K505 PolarHBondContact O-N 3.48Å; A502-K505 VanDerWaalsContact O-N 3.14Å; K505-S507 VanDerWaalsContact C-N 3.33Å; K505-S507 PolarHBondContact O-N 3.06Å; K505-V508 PolarHBondContact O-N 3.41Å; K505-T509 WeakPolarHBondContact O-CB 3.48Å; K505-T509 PolarHBondContact O-N 3.28Å; K505-T509 PolarHBondContact O-OG1 3.24Å
506	D	94.1	Very high	91.4	Very high	89 Å²	89	69.6 Å²	69.6	48%	0.476	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-40.1	176.5	-65.1	-25.2	0	0	0	111.4	A502 C504 T509 F510	A502-D506 VanDerWaalsContact O-CG 3.29Å; A502-D506 PolarHBondContact O-N 3.3Å; C504-D506 PolarHBondContact O-N 3.49Å; D506-T509 WeakPolarHBondContact O-CB 3.36Å; D506-T509 PolarHBondContact O-N 2.97Å; D506-F510 WeakPolarHBondContact O-CB 3.44Å; D506-F510 PolarHBondContact O-N 2.76Å
507	S	94.9	Very high	91	Very high	1 Å²	1	70 Å²	70	1%	0.007	34%	0.34	C	S	.	.	H	α-helix	trans	-72.1	-37.1	179.5	-56.7	0	0	0	0	112.7	A472 Y476 F503 C504 K505 T509 F510 F511	A472-S507 WeakPolarHBondContact CB-O 3.44Å; A472-S507 WeakPolarHBondContact O-CB 3.17Å; A472-S507 PolarHBondContact O-OG 2.83Å; Y476-S507 WeakPolarHBondContact CB-OG 3.46Å; F503-S507 VanDerWaalsContact O-CB 3.29Å; F503-S507 WeakPolarHBondContact O-CB 3.4Å; F503-S507 PolarHBondContact O-N 3.04Å; F503-S507 PolarHBondContact O-OG 2.84Å; C504-S507 PolarHBondContact O-N 3.19Å; K505-S507 VanDerWaalsContact C-N 3.33Å; K505-S507 PolarHBondContact O-N 3.06Å; S507-T509 VanDerWaalsContact C-N 3.35Å; S507-F510 PolarHBondContact O-N 3.09Å; S507-F511 WeakPolarHBondContact O-CB 3.47Å; S507-F511 PolarHBondContact O-N 3.48Å
508	V	94.3	Very high	90.2	Very high	13 Å²	13	66.4 Å²	66.4	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-67.2	-36.4	170.2	172.5	0	0	0	0	111.2	C504 K505 F511 R512 Q527 L530 E531	C504-V508 WeakPolarHBondContact O-CG2 3.36Å; C504-V508 PolarHBondContact O-N 2.94Å; K505-V508 PolarHBondContact O-N 3.41Å; V508-F511 PolarHBondContact O-N 3.3Å; V508-R512 WeakPolarHBondContact O-CG 3.42Å; V508-R512 PolarHBondContact O-N 3.04Å; V508-Q527 HydrophobicContact CG1-CG 4.02Å; V508-L530 HydrophobicContact CG2-CD2 4.43Å; V508-E531 HydrophobicContact CG2-CG 3.8Å
509	T	94.1	Very high	89.7	Confident	83 Å²	83	59.9 Å²	59.9	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-43.7	175	-55.9	0	0	0	0	111	K505 D506 S507 R512 S513	K505-T509 WeakPolarHBondContact O-CB 3.48Å; K505-T509 PolarHBondContact O-N 3.28Å; K505-T509 PolarHBondContact O-OG1 3.24Å; D506-T509 WeakPolarHBondContact O-CB 3.36Å; D506-T509 PolarHBondContact O-N 2.97Å; S507-T509 VanDerWaalsContact C-N 3.35Å; T509-R512 PolarHBondContact O-N 2.66Å; T509-S513 WeakPolarHBondContact O-CB 3.47Å; T509-S513 PolarHBondContact O-N 3.32Å
510	F	92.1	Very high	89.1	Confident	80 Å²	80	66.7 Å²	66.7	35%	0.351	35%	0.349	S	S	.	.	H	α-helix	trans	-57.8	-52.2	171.3	174.2	-93.1	0	0	0	111.4	A472 L475 D506 S507 R512 S513 V514	A472-F510 HydrophobicContact CB-CD1 3.95Å; L475-F510 HydrophobicContact CD2-CB 3.75Å; L475-F510 HydrophobicContact CD2-CD1 4.48Å; L475-F510 HydrophobicContact CD2-CD2 4.2Å; L475-F510 HydrophobicContact CD2-CG 3.89Å; D506-F510 WeakPolarHBondContact O-CB 3.44Å; D506-F510 PolarHBondContact O-N 2.76Å; S507-F510 PolarHBondContact O-N 3.09Å; F510-R512 VanDerWaalsContact C-N 3.28Å; F510-R512 PolarHBondContact O-N 2.73Å; F510-S513 PolarHBondContact O-N 3.04Å; F510-S513 PolarHBondContact O-OG 3.24Å; F510-V514 HydrophobicContact CE1-CG2 4.2Å; F510-V514 HydrophobicContact CZ-CG2 4.21Å; F510-V514 PolarHBondContact O-N 3.12Å
511	F	92.3	Very high	88.7	Confident	3 Å²	3	73.2 Å²	73.2	1%	0.013	38%	0.379	C	S	.	.	H	α-helix	trans	-55.2	-42.9	178.5	175.3	-96.4	0	0	0	112.2	A468 V469 A472 S507 V508 K516 Q527 L530	A468-F511 HydrophobicContact CB-CD2 3.69Å; A468-F511 HydrophobicContact CB-CE2 3.69Å; V469-F511 HydrophobicContact CG2-CD2 4.1Å; V469-F511 HydrophobicContact CG2-CE2 3.66Å; V469-F511 HydrophobicContact CG2-CZ 4.46Å; A472-F511 HydrophobicContact CB-CB 4.13Å; S507-F511 WeakPolarHBondContact O-CB 3.47Å; S507-F511 PolarHBondContact O-N 3.48Å; V508-F511 PolarHBondContact O-N 3.3Å; F511-K516 HydrophobicContact CE1-CD 4.46Å; F511-K516 HydrophobicContact CE2-CD 3.99Å; F511-K516 HydrophobicContact CZ-CD 3.89Å; F511-K516 PolarHBondContact O-NZ 2.85Å; F511-Q527 HydrophobicContact CD1-CB 4.07Å; F511-Q527 HydrophobicContact CD1-CG 4.16Å; F511-Q527 HydrophobicContact CE1-CB 3.79Å; F511-Q527 HydrophobicContact CE1-CG 4.39Å; F511-L530 HydrophobicContact CB-CD2 3.67Å; F511-L530 HydrophobicContact CD2-CD2 4.23Å; F511-L530 HydrophobicContact CG-CD2 3.91Å
512	R	89.7	Confident	88.3	Confident	154 Å²	154	68.8 Å²	68.8	58%	0.581	36%	0.358	S	S	*	.	H	α-helix	trans	-65.5	-38.3	175.9	-72.5	178	-174.6	173.2	8.6	112.5	V508 T509 F510 V514 K516 Q527	V508-R512 WeakPolarHBondContact O-CG 3.42Å; V508-R512 PolarHBondContact O-N 3.04Å; T509-R512 PolarHBondContact O-N 2.66Å; F510-R512 VanDerWaalsContact C-N 3.28Å; F510-R512 PolarHBondContact O-N 2.73Å; R512-V514 VanDerWaalsContact C-N 3.33Å; R512-V514 PolarHBondContact O-N 2.96Å; R512-K516 PolarHBondContact O-NZ 2.79Å; R512-Q527 VanDerWaalsContact CZ-OE1 3.31Å; R512-Q527 VanDerWaalsContact NH2-CD 3.33Å
513	S	88.3	Confident	87.9	Confident	87 Å²	87	67.7 Å²	67.7	61%	0.608	35%	0.347	S	S	*	.	H	α-helix	trans	-68.7	-24.9	-177	76	0	0	0	0	114.9	T509 F510	T509-S513 WeakPolarHBondContact O-CB 3.47Å; T509-S513 PolarHBondContact O-N 3.32Å; F510-S513 PolarHBondContact O-N 3.04Å; F510-S513 PolarHBondContact O-OG 3.24Å
514	V	85.3	Confident	87.7	Confident	36 Å²	36	70.9 Å²	70.9	22%	0.218	36%	0.363	C	S	.	.	S	Bend	trans	-66.6	133.3	175	178	0	0	0	0	110.2	A468 F510 R512 K516	A468-V514 HydrophobicContact CB-CB 4.37Å; A468-V514 HydrophobicContact CB-CG1 4.19Å; F510-V514 HydrophobicContact CE1-CG2 4.2Å; F510-V514 HydrophobicContact CZ-CG2 4.21Å; F510-V514 PolarHBondContact O-N 3.12Å; R512-V514 VanDerWaalsContact C-N 3.33Å; R512-V514 PolarHBondContact O-N 2.96Å; V514-K516 HydrophobicContact CB-CG 4.46Å; V514-K516 HydrophobicContact CG1-CG 4.11Å; V514-K516 PolarHBondContact O-N 3.24Å; V514-K516 PolarHBondContact O-NZ 3.21Å
515	K	81.9	Confident	87.6	Confident	144 Å²	144	78 Å²	78	63%	0.626	39%	0.387	S	S	*	.			trans	-71.9	126.5	171.6	-67.4	-174.5	176	-172.9	0	110.1	S427	S427-K515 PolarHBondContact OG-O 3.24Å
516	K	81.4	Confident	87.5	Confident	45 Å²	45	72.5 Å²	72.5	20%	0.196	36%	0.363	C	S	.	.			trans	-134.6	152.4	-172.3	-60.6	173.2	-59.8	-65.2	0	112.4	N464 A468 F511 R512 V514	N464-K516 WeakPolarHBondContact OD1-CA 3.41Å; N464-K516 WeakPolarHBondContact OD1-CB 3.34Å; N464-K516 VanDerWaalsContact OD1-CG 3.31Å; N464-K516 WeakPolarHBondContact OD1-CG 3.33Å; A468-K516 HydrophobicContact CB-CD 3.94Å; A468-K516 HydrophobicContact CB-CG 4.48Å; F511-K516 HydrophobicContact CE1-CD 4.46Å; F511-K516 HydrophobicContact CE2-CD 3.99Å; F511-K516 HydrophobicContact CZ-CD 3.89Å; F511-K516 PolarHBondContact O-NZ 2.85Å; R512-K516 PolarHBondContact O-NZ 2.79Å; V514-K516 HydrophobicContact CB-CG 4.46Å; V514-K516 HydrophobicContact CG1-CG 4.11Å; V514-K516 PolarHBondContact O-N 3.24Å; V514-K516 PolarHBondContact O-NZ 3.21Å
517	M	78.4	Confident	87.5	Confident	8 Å²	8	69.3 Å²	69.3	4%	0.039	35%	0.345	C	S	.	.	S	Bend	trans	-92.5	168.3	176.2	-67.1	178.3	171.8	0	0	112.3	T313 I424 L457 T460 A461 N465	T313-M517 HydrophobicContact CG2-CE 4Å; T313-M517 HydrophobicContact CG2-CG 3.81Å; I424-M517 HydrophobicContact CG2-CE 4.29Å; L457-M517 HydrophobicContact CD2-SD 4.33Å; T460-M517 HydrophobicContact CG2-CE 4.12Å; T460-M517 HydrophobicContact CG2-SD 3.49Å; T460-M517 WeakPolarHBondContact CG2-SD 3.49Å; A461-M517 HydrophobicContact CB-CB 3.67Å; N465-M517 PolarHBondContact ND2-O 3.13Å
518	G	75.8	Confident	87.5	Confident	28 Å²	28	73.2 Å²	73.2	29%	0.289	37%	0.366	S	S	.	.	S	Bend	trans	90	-3.5	175.5	0	0	0	0	0	116.2	E312 F522	E312-G518 WeakPolarHBondContact OE2-CA 3.23Å; E312-G518 PolarHBondContact OE2-N 3.11Å; E312-G518 VanDerWaalsContact OE2-N 3.1Å; G518-F522 WeakPolarHBondContact O-CB 3.37Å
519	G	80.8	Confident	87.5	Confident	46 Å²	46	78.3 Å²	78.3	47%	0.474	38%	0.383	S	S	.	.			trans	77.3	175.7	179.4	0	0	0	0	0	115.1	F522 C523	G519-F522 PolarHBondContact O-N 2.84Å; G519-C523 PolarHBondContact O-N 3.03Å; G519-C523 PolarHBondContact O-SG 3.39Å
520	E	80.8	Confident	87.5	Confident	176 Å²	176	74.3 Å²	74.3	82%	0.822	36%	0.359	S	S	*	.	H	α-helix	trans	-66.9	-46.8	-169.5	-63.5	-165.1	147.3	0	0	113.5	F522 C523 Q524	E520-F522 PolarHBondContact O-N 3.27Å; E520-C523 PolarHBondContact O-N 2.93Å; E520-Q524 WeakPolarHBondContact O-CB 3.3Å; E520-Q524 PolarHBondContact O-N 3.1Å
521	E	85.1	Confident	87.6	Confident	159 Å²	159	72.9 Å²	72.9	74%	0.743	35%	0.354	S	S	*	.	H	α-helix	trans	-57.9	-32.2	178.5	-65.9	-171.1	-176.8	0	0	112.9
522	F	86.3	Confident	87.8	Confident	40 Å²	40	77.4 Å²	77.4	18%	0.175	38%	0.377	C	S	.	.	H	α-helix	trans	-75.6	-49.7	177.6	-170.8	-96	0	0	0	110.7	A461 E462 G518 G519 E520 Q524 R525 Y526	A461-F522 HydrophobicContact CB-CD1 4.49Å; A461-F522 HydrophobicContact CB-CE1 3.92Å; A461-F522 HydrophobicContact CB-CZ 4.44Å; E462-F522 HydrophobicContact CG-CE1 4.49Å; E462-F522 HydrophobicContact CG-CZ 3.67Å; G518-F522 WeakPolarHBondContact O-CB 3.37Å; G519-F522 PolarHBondContact O-N 2.84Å; E520-F522 PolarHBondContact O-N 3.27Å; F522-Q524 PolarHBondContact O-N 3.23Å; F522-R525 PolarHBondContact O-N 2.77Å; F522-Y526 HydrophobicContact CD1-CD2 4.45Å; F522-Y526 HydrophobicContact CD1-CE2 4.17Å; F522-Y526 HydrophobicContact CE1-CD2 4.28Å; F522-Y526 AromaticContact CE1-CE2 3.62Å; F522-Y526 HydrophobicContact CE1-CE2 3.62Å; F522-Y526 AromaticContact CZ-CE2 3.83Å; F522-Y526 HydrophobicContact CZ-CE2 3.83Å; F522-Y526 WeakPolarHBondContact O-CD2 3.48Å
523	C	86.6	Confident	88	Confident	19 Å²	19	71.5 Å²	71.5	13%	0.128	36%	0.356	C	S	.	.	H	α-helix	trans	-58.1	-35.4	176.1	-67	0	0	0	0	112.5	G519 E520 R525 Y526 Q527	G519-C523 PolarHBondContact O-N 3.03Å; G519-C523 PolarHBondContact O-SG 3.39Å; E520-C523 PolarHBondContact O-N 2.93Å; C523-R525 VanDerWaalsContact C-N 3.34Å; C523-R525 PolarHBondContact O-N 3.4Å; C523-Y526 PolarHBondContact O-N 2.86Å; C523-Y526 VanDerWaalsContact O-N 3.14Å; C523-Q527 PolarHBondContact O-N 3.06Å
524	Q	90.5	Very high	88.4	Confident	111 Å²	111	67.3 Å²	67.3	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-40.4	-179.2	-173.7	167.3	1.4	0	0	112.2	E520 F522 Y526 Q527 D528	E520-Q524 WeakPolarHBondContact O-CB 3.3Å; E520-Q524 PolarHBondContact O-N 3.1Å; F522-Q524 PolarHBondContact O-N 3.23Å; Q524-Y526 PolarHBondContact O-N 3.14Å; Q524-Q527 WeakPolarHBondContact O-CA 3.48Å; Q524-Q527 WeakPolarHBondContact O-CB 3.28Å; Q524-Q527 PolarHBondContact O-N 2.82Å; Q524-D528 VanDerWaalsContact O-CG 3.26Å; Q524-D528 PolarHBondContact O-N 3.1Å
525	R	92.6	Very high	88.8	Confident	168 Å²	168	70.5 Å²	70.5	63%	0.634	34%	0.338	S	S	*	.	H	α-helix	trans	-59.7	-32.6	176.5	-60.3	176.7	-170.5	-172.3	2.4	112.7	F522 C523 R529	F522-R525 PolarHBondContact O-N 2.77Å; C523-R525 VanDerWaalsContact C-N 3.34Å; C523-R525 PolarHBondContact O-N 3.4Å; R525-R529 WeakPolarHBondContact O-CB 3.33Å; R525-R529 PolarHBondContact O-N 2.95Å
526	Y	92.7	Very high	89.4	Confident	32 Å²	32	68.9 Å²	68.9	13%	0.125	33%	0.333	C	S	.	.	H	α-helix	trans	-79.6	-30.5	175.7	-74.1	-89.3	0	0	0	112.4	N465 L466 V469 F522 C523 Q524 L530	N465-Y526 HydrophobicContact CB-CD1 3.8Å; N465-Y526 HydrophobicContact CB-CD2 3.63Å; N465-Y526 HydrophobicContact CB-CE1 4.05Å; N465-Y526 HydrophobicContact CB-CE2 3.91Å; N465-Y526 HydrophobicContact CB-CG 3.58Å; L466-Y526 HydrophobicContact CD2-CD1 4.44Å; L466-Y526 HydrophobicContact CD2-CE1 3.84Å; L466-Y526 HydrophobicContact CG-CE1 3.87Å; V469-Y526 HydrophobicContact CG2-CD1 4.25Å; V469-Y526 WeakPolarHBondContact CG2-O 3.31Å; F522-Y526 HydrophobicContact CD1-CD2 4.45Å; F522-Y526 HydrophobicContact CD1-CE2 4.17Å; F522-Y526 HydrophobicContact CE1-CD2 4.28Å; F522-Y526 AromaticContact CE1-CE2 3.62Å; F522-Y526 HydrophobicContact CE1-CE2 3.62Å; F522-Y526 AromaticContact CZ-CE2 3.83Å; F522-Y526 HydrophobicContact CZ-CE2 3.83Å; F522-Y526 WeakPolarHBondContact O-CD2 3.48Å; C523-Y526 PolarHBondContact O-N 2.86Å; C523-Y526 VanDerWaalsContact O-N 3.14Å; Q524-Y526 PolarHBondContact O-N 3.14Å; Y526-L530 WeakPolarHBondContact O-CB 3.42Å; Y526-L530 PolarHBondContact O-N 3.28Å
527	Q	93.5	Very high	90	Very high	22 Å²	22	67.7 Å²	67.7	10%	0.103	33%	0.331	C	S	.	.	H	α-helix	trans	-67	-46.8	169.6	-165.8	-161.1	-71.5	0	0	111.6	V508 F511 R512 C523 Q524 R529 L530 E531	V508-Q527 HydrophobicContact CG1-CG 4.02Å; F511-Q527 HydrophobicContact CD1-CB 4.07Å; F511-Q527 HydrophobicContact CD1-CG 4.16Å; F511-Q527 HydrophobicContact CE1-CB 3.79Å; F511-Q527 HydrophobicContact CE1-CG 4.39Å; R512-Q527 VanDerWaalsContact CZ-OE1 3.31Å; R512-Q527 VanDerWaalsContact NH2-CD 3.33Å; C523-Q527 PolarHBondContact O-N 3.06Å; Q524-Q527 WeakPolarHBondContact O-CA 3.48Å; Q524-Q527 WeakPolarHBondContact O-CB 3.28Å; Q524-Q527 PolarHBondContact O-N 2.82Å; Q527-R529 PolarHBondContact O-N 3.26Å; Q527-L530 WeakPolarHBondContact O-CB 3.46Å; Q527-L530 PolarHBondContact O-N 2.84Å; Q527-L530 VanDerWaalsContact O-N 3.1Å; Q527-E531 PolarHBondContact NE2-OE1 3.29Å; Q527-E531 WeakPolarHBondContact O-CG 3.29Å; Q527-E531 PolarHBondContact O-N 2.96Å
528	D	94.1	Very high	90.8	Very high	83 Å²	83	68.9 Å²	68.9	44%	0.444	34%	0.336	S	S	.	.	H	α-helix	trans	-58.7	-40.7	178	-61.6	-25.3	0	0	0	110.6	Q524 L532	Q524-D528 VanDerWaalsContact O-CG 3.26Å; Q524-D528 PolarHBondContact O-N 3.1Å; D528-L532 PolarHBondContact O-N 2.83Å; D528-L532 VanDerWaalsContact O-N 3.13Å
529	R	94.4	Very high	91.7	Very high	120 Å²	120	70.6 Å²	70.6	45%	0.453	34%	0.34	S	S	.	.	H	α-helix	trans	-65.3	-45.4	172.9	179.5	178.5	168.6	179.6	-5.1	112.6	R525 Q527 E531 L532 E533	R525-R529 WeakPolarHBondContact O-CB 3.33Å; R525-R529 PolarHBondContact O-N 2.95Å; Q527-R529 PolarHBondContact O-N 3.26Å; R529-E531 VanDerWaalsContact C-N 3.35Å; R529-E531 PolarHBondContact O-N 2.99Å; R529-L532 WeakPolarHBondContact O-CB 3.37Å; R529-L532 PolarHBondContact O-N 2.81Å; R529-E533 IonicContact CZ-OE1 2.79Å; R529-E533 IonicContact NE-OE1 3.21Å; R529-E533 PolarHBondContact NE-OE1 3.36Å; R529-E533 IonicContact NH2-OE1 2.73Å; R529-E533 PolarHBondContact NH2-OE1 3.3Å; R529-E533 PolarHBondContact O-N 2.93Å
530	L	95.1	Very high	92.3	Very high	0 Å²	0	73 Å²	73	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-56.5	-50.6	175.1	170.8	64.9	0	0	0	110.2	V469 A472 K473 V508 F511 Y526 Q527 L532 E533 L534	V469-L530 HydrophobicContact CG1-CB 4.21Å; V469-L530 HydrophobicContact CG1-CD1 4.11Å; V469-L530 HydrophobicContact CG2-CB 4.25Å; A472-L530 HydrophobicContact CB-CD1 3.82Å; A472-L530 HydrophobicContact CB-CD2 3.59Å; A472-L530 HydrophobicContact CB-CG 4.38Å; K473-L530 HydrophobicContact CB-CD1 4.42Å; V508-L530 HydrophobicContact CG2-CD2 4.43Å; F511-L530 HydrophobicContact CB-CD2 3.67Å; F511-L530 HydrophobicContact CD2-CD2 4.23Å; F511-L530 HydrophobicContact CG-CD2 3.91Å; Y526-L530 WeakPolarHBondContact O-CB 3.42Å; Y526-L530 PolarHBondContact O-N 3.28Å; Q527-L530 WeakPolarHBondContact O-CB 3.46Å; Q527-L530 PolarHBondContact O-N 2.84Å; Q527-L530 VanDerWaalsContact O-N 3.1Å; L530-L532 PolarHBondContact O-N 3.29Å; L530-E533 PolarHBondContact O-N 3.09Å; L530-E533 VanDerWaalsContact O-N 3.12Å; L530-L534 HydrophobicContact CD1-CD1 4.04Å; L530-L534 HydrophobicContact CD1-CD2 4.07Å; L530-L534 HydrophobicContact CD1-CG 3.85Å; L530-L534 HydrophobicContact CG-CD1 4.06Å; L530-L534 HydrophobicContact CG-CG 4.21Å; L530-L534 VanDerWaalsContact O-CG 3.28Å; L530-L534 WeakPolarHBondContact O-CG 3.27Å; L530-L534 PolarHBondContact O-N 2.86Å
531	E	94.9	Very high	92.8	Very high	50 Å²	50	66.3 Å²	66.3	23%	0.234	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-31.9	179.1	-73.2	-176.8	-143.3	0	0	113.2	V508 Q527 R529 K535	V508-E531 HydrophobicContact CG2-CG 3.8Å; Q527-E531 PolarHBondContact NE2-OE1 3.29Å; Q527-E531 WeakPolarHBondContact O-CG 3.29Å; Q527-E531 PolarHBondContact O-N 2.96Å; R529-E531 VanDerWaalsContact C-N 3.35Å; R529-E531 PolarHBondContact O-N 2.99Å; E531-K535 WeakPolarHBondContact O-CD 3.34Å; E531-K535 WeakPolarHBondContact O-CE 3.48Å; E531-K535 WeakPolarHBondContact O-CG 3.35Å; E531-K535 PolarHBondContact O-N 3.17Å; E531-K535 IonicContact OE2-NZ 3.17Å
532	L	95.6	Very high	93	Very high	98 Å²	98	59.9 Å²	59.9	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-69	-50.8	171.5	-176.5	64.3	0	0	0	111.6	D528 R529 L530 L534 K535 E536	D528-L532 PolarHBondContact O-N 2.83Å; D528-L532 VanDerWaalsContact O-N 3.13Å; R529-L532 WeakPolarHBondContact O-CB 3.37Å; R529-L532 PolarHBondContact O-N 2.81Å; L530-L532 PolarHBondContact O-N 3.29Å; L532-L534 VanDerWaalsContact C-N 3.26Å; L532-L534 PolarHBondContact O-N 3.48Å; L532-K535 WeakPolarHBondContact O-CB 3.37Å; L532-K535 PolarHBondContact O-N 3.05Å; L532-K535 VanDerWaalsContact O-N 3.09Å; L532-E536 PolarHBondContact O-N 3.48Å
533	E	94.6	Very high	93.1	Very high	29 Å²	29	63.6 Å²	63.6	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-30.5	179.6	-69	-170.6	-154.4	0	0	112.6	K473 R529 L530 A537	K473-E533 IonicContact NZ-OE2 2.73Å; K473-E533 PolarHBondContact NZ-OE2 3Å; R529-E533 IonicContact CZ-OE1 2.79Å; R529-E533 IonicContact NE-OE1 3.21Å; R529-E533 PolarHBondContact NE-OE1 3.36Å; R529-E533 IonicContact NH2-OE1 2.73Å; R529-E533 PolarHBondContact NH2-OE1 3.3Å; R529-E533 PolarHBondContact O-N 2.93Å; L530-E533 PolarHBondContact O-N 3.09Å; L530-E533 VanDerWaalsContact O-N 3.12Å; E533-A537 WeakPolarHBondContact O-CB 3.42Å; E533-A537 PolarHBondContact O-N 3.44Å
534	L	95.1	Very high	93.1	Very high	0 Å²	0	67 Å²	67	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-70.3	-38.1	172.6	-66.6	-172.7	0	0	0	112.4	K473 Y476 C504 L530 L532 A537 Y538	K473-L534 HydrophobicContact CG-CD2 4.48Å; Y476-L534 HydrophobicContact CD1-CD2 3.63Å; Y476-L534 HydrophobicContact CD2-CD2 4.2Å; Y476-L534 HydrophobicContact CE1-CD2 4.35Å; Y476-L534 HydrophobicContact CG-CD2 3.54Å; C504-L534 HydrophobicContact CB-CD1 4.48Å; L530-L534 HydrophobicContact CD1-CD1 4.04Å; L530-L534 HydrophobicContact CD1-CD2 4.07Å; L530-L534 HydrophobicContact CD1-CG 3.85Å; L530-L534 HydrophobicContact CG-CD1 4.06Å; L530-L534 HydrophobicContact CG-CG 4.21Å; L530-L534 VanDerWaalsContact O-CG 3.28Å; L530-L534 WeakPolarHBondContact O-CG 3.27Å; L530-L534 PolarHBondContact O-N 2.86Å; L532-L534 VanDerWaalsContact C-N 3.26Å; L532-L534 PolarHBondContact O-N 3.48Å; L534-A537 PolarHBondContact O-N 3.23Å; L534-Y538 PolarHBondContact O-N 3.44Å
535	K	95	Very high	92.8	Very high	102 Å²	102	61.8 Å²	61.8	44%	0.443	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-42.1	174.1	-71.9	158.9	-166.7	152.1	0	111	E531 L532 Y538 T539	E531-K535 WeakPolarHBondContact O-CD 3.34Å; E531-K535 WeakPolarHBondContact O-CE 3.48Å; E531-K535 WeakPolarHBondContact O-CG 3.35Å; E531-K535 PolarHBondContact O-N 3.17Å; E531-K535 IonicContact OE2-NZ 3.17Å; L532-K535 WeakPolarHBondContact O-CB 3.37Å; L532-K535 PolarHBondContact O-N 3.05Å; L532-K535 VanDerWaalsContact O-N 3.09Å; K535-Y538 WeakPolarHBondContact O-CB 3.15Å; K535-Y538 PolarHBondContact O-N 3.13Å; K535-T539 WeakPolarHBondContact O-CG2 3.18Å; K535-T539 PolarHBondContact O-N 3.11Å; K535-T539 VanDerWaalsContact O-N 3.15Å
536	E	95	Very high	92.3	Very high	110 Å²	110	58.8 Å²	58.8	51%	0.514	28%	0.282	S	S	.	.	H	α-helix	trans	-59.8	-48	173.6	-71.1	-179.6	177.1	0	0	111.8	L532 Y538 T539 N540	L532-E536 PolarHBondContact O-N 3.48Å; E536-Y538 VanDerWaalsContact C-N 3.32Å; E536-Y538 PolarHBondContact O-N 3.15Å; E536-T539 PolarHBondContact O-N 3.42Å; E536-T539 VanDerWaalsContact O-N 3.13Å; E536-T539 PolarHBondContact O-OG1 3.13Å; E536-N540 PolarHBondContact O-N 2.9Å
537	A	93.8	Very high	91.6	Very high	20 Å²	20	58.7 Å²	58.7	17%	0.165	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-40.2	175.8	0	0	0	0	0	112.4	Y476 E533 L534 T539 N540 F541	Y476-A537 HydrophobicContact CD1-CB 4.43Å; Y476-A537 HydrophobicContact CE1-CB 3.9Å; E533-A537 WeakPolarHBondContact O-CB 3.42Å; E533-A537 PolarHBondContact O-N 3.44Å; L534-A537 PolarHBondContact O-N 3.23Å; A537-T539 PolarHBondContact O-N 3.41Å; A537-N540 PolarHBondContact O-N 3.46Å; A537-N540 VanDerWaalsContact O-N 3.13Å; A537-F541 VanDerWaalsContact O-CD2 3.29Å; A537-F541 WeakPolarHBondContact O-CD2 3.48Å; A537-F541 PolarHBondContact O-N 3.03Å
538	Y	95.4	Very high	90.6	Very high	34 Å²	34	58.9 Å²	58.9	13%	0.133	29%	0.291	C	S	.	.	H	α-helix	trans	-57.6	-43.2	173	177.8	-119.9	0	0	0	112.8	Y476 M480 L496 E497 H500 L534 K535 E536 N540 F541 S542	Y476-Y538 WeakPolarHBondContact OH-CB 3.43Å; M480-Y538 HydrophobicContact CE-CD2 4.1Å; L496-Y538 HydrophobicContact CD2-CE2 4.49Å; L496-Y538 HydrophobicContact CG-CE2 4.2Å; E497-Y538 WeakPolarHBondContact CA-OH 3.42Å; E497-Y538 WeakPolarHBondContact CB-OH 3.06Å; H500-Y538 HydrophobicContact CB-CD2 3.49Å; H500-Y538 VanDerWaalsContact CB-CD2 3.49Å; H500-Y538 HydrophobicContact CB-CE2 3.54Å; H500-Y538 HydrophobicContact CB-CG 4.19Å; H500-Y538 AromaticContact CD2-CD1 3.93Å; H500-Y538 AromaticContact CD2-CG 3.85Å; H500-Y538 AromaticContact CE1-CG 3.92Å; H500-Y538 AromaticContact CG-CD2 3.46Å; H500-Y538 VanDerWaalsContact CG-CD2 3.46Å; H500-Y538 AromaticContact CG-CE2 3.88Å; H500-Y538 AromaticContact CG-CG 3.63Å; H500-Y538 AromaticContact ND1-CD2 3.76Å; H500-Y538 AromaticContact ND1-CG 3.69Å; L534-Y538 PolarHBondContact O-N 3.44Å; K535-Y538 WeakPolarHBondContact O-CB 3.15Å; K535-Y538 PolarHBondContact O-N 3.13Å; E536-Y538 VanDerWaalsContact C-N 3.32Å; E536-Y538 PolarHBondContact O-N 3.15Å; Y538-N540 PolarHBondContact O-N 2.84Å; Y538-F541 PolarHBondContact O-N 2.95Å; Y538-S542 WeakPolarHBondContact O-CB 3.47Å; Y538-S542 PolarHBondContact O-N 3.25Å
539	T	93.9	Very high	89.4	Confident	63 Å²	63	58.2 Å²	58.2	39%	0.387	29%	0.287	S	S	.	.	H	α-helix	trans	-60.9	-29.3	177.7	77.7	0	0	0	0	112.8	K535 E536 A537 K543	K535-T539 WeakPolarHBondContact O-CG2 3.18Å; K535-T539 PolarHBondContact O-N 3.11Å; K535-T539 VanDerWaalsContact O-N 3.15Å; E536-T539 PolarHBondContact O-N 3.42Å; E536-T539 VanDerWaalsContact O-N 3.13Å; E536-T539 PolarHBondContact O-OG1 3.13Å; A537-T539 PolarHBondContact O-N 3.41Å; T539-K543 VanDerWaalsContact O-CD 3.23Å; T539-K543 WeakPolarHBondContact O-CD 3.46Å; T539-K543 WeakPolarHBondContact O-CE 3.31Å; T539-K543 WeakPolarHBondContact O-CG 3.41Å; T539-K543 PolarHBondContact O-N 3.41Å; T539-K543 PolarHBondContact OG1-NZ 2.93Å
540	N	92.5	Very high	87.8	Confident	97 Å²	97	58.2 Å²	58.2	52%	0.519	30%	0.295	S	S	.	.	H	α-helix	trans	-79.2	-41.9	178.3	-65.1	-27.7	0	0	0	111.6	E536 A537 Y538 S542 K543 H544	E536-N540 PolarHBondContact O-N 2.9Å; A537-N540 PolarHBondContact O-N 3.46Å; A537-N540 VanDerWaalsContact O-N 3.13Å; Y538-N540 PolarHBondContact O-N 2.84Å; N540-S542 VanDerWaalsContact C-N 3.34Å; N540-S542 PolarHBondContact O-N 2.95Å; N540-K543 PolarHBondContact O-N 3.15Å; N540-K543 PolarHBondContact OD1-NZ 3.36Å; N540-H544 WeakPolarHBondContact O-CB 3.35Å; N540-H544 PolarHBondContact O-N 2.89Å
541	F	91.4	Very high	85.9	Confident	36 Å²	36	66 Å²	66	16%	0.158	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-39	171.9	-76.8	-62.6	0	0	0	112.5	Y476 M480 E481 A537 Y538 H544 N545	Y476-F541 HydrophobicContact CE1-CD2 4.23Å; Y476-F541 HydrophobicContact CE1-CE2 4.1Å; M480-F541 HydrophobicContact CB-CD1 4.19Å; M480-F541 HydrophobicContact CB-CD2 3.77Å; M480-F541 HydrophobicContact CB-CE1 3.97Å; M480-F541 HydrophobicContact CB-CE2 3.52Å; M480-F541 HydrophobicContact CB-CG 4.1Å; M480-F541 HydrophobicContact CB-CZ 3.64Å; M480-F541 HydrophobicContact CE-CB 3.69Å; M480-F541 HydrophobicContact CE-CD2 3.99Å; M480-F541 HydrophobicContact CE-CG 3.93Å; M480-F541 HydrophobicContact CG-CD2 3.93Å; M480-F541 HydrophobicContact CG-CE2 3.94Å; E481-F541 HydrophobicContact CG-CE1 4.02Å; E481-F541 HydrophobicContact CG-CZ 4.17Å; A537-F541 VanDerWaalsContact O-CD2 3.29Å; A537-F541 WeakPolarHBondContact O-CD2 3.48Å; A537-F541 PolarHBondContact O-N 3.03Å; Y538-F541 PolarHBondContact O-N 2.95Å; F541-H544 PolarHBondContact O-N 3.39Å; F541-N545 WeakPolarHBondContact O-CB 3.27Å; F541-N545 PolarHBondContact O-N 3.03Å
542	S	90.1	Very high	84.1	Confident	23 Å²	23	68.4 Å²	68.4	16%	0.161	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-51.1	176.3	-169.9	0	0	0	0	111.8	Y538 N540 H544 N545 E546	Y538-S542 WeakPolarHBondContact O-CB 3.47Å; Y538-S542 PolarHBondContact O-N 3.25Å; N540-S542 VanDerWaalsContact C-N 3.34Å; N540-S542 PolarHBondContact O-N 2.95Å; S542-H544 VanDerWaalsContact C-N 3.3Å; S542-H544 PolarHBondContact O-N 2.94Å; S542-N545 WeakPolarHBondContact O-CB 3.46Å; S542-N545 PolarHBondContact O-N 3.4Å; S542-N545 VanDerWaalsContact O-N 3.09Å; S542-E546 WeakPolarHBondContact O-CG 3.4Å; S542-E546 PolarHBondContact O-N 3.15Å
543	K	88.5	Confident	82.5	Confident	119 Å²	119	65.3 Å²	65.3	52%	0.517	33%	0.326	S	S	.	.	H	α-helix	trans	-56.9	-40.7	174.4	-68	160.8	-163.6	154.3	0	112.5	T539 N540 E546 G547	T539-K543 VanDerWaalsContact O-CD 3.23Å; T539-K543 WeakPolarHBondContact O-CD 3.46Å; T539-K543 WeakPolarHBondContact O-CE 3.31Å; T539-K543 WeakPolarHBondContact O-CG 3.41Å; T539-K543 PolarHBondContact O-N 3.41Å; T539-K543 PolarHBondContact OG1-NZ 2.93Å; N540-K543 PolarHBondContact O-N 3.15Å; N540-K543 PolarHBondContact OD1-NZ 3.36Å; K543-E546 PolarHBondContact O-N 3.26Å; K543-G547 PolarHBondContact O-N 3.46Å
544	H	86.4	Confident	81.1	Confident	89 Å²	89	66.5 Å²	66.5	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-42.4	176.7	179.7	78.9	0	0	0	111.8	N540 F541 S542 G547 K548	N540-H544 WeakPolarHBondContact O-CB 3.35Å; N540-H544 PolarHBondContact O-N 2.89Å; F541-H544 PolarHBondContact O-N 3.39Å; S542-H544 VanDerWaalsContact C-N 3.3Å; S542-H544 PolarHBondContact O-N 2.94Å; H544-G547 PolarHBondContact O-N 3.2Å; H544-K548 WeakPolarHBondContact NE2-CE 3.39Å
545	N	84.5	Confident	80.1	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.011	36%	0.357	C	S	.	.	H	α-helix	trans	-65.4	-45.6	174.9	179.4	60.3	0	0	0	112	Y490 M491 L496 F541 S542 G547 K548	Y490-N545 WeakPolarHBondContact CD2-O 3.26Å; Y490-N545 WeakPolarHBondContact CD2-OD1 3.21Å; Y490-N545 WeakPolarHBondContact CE2-ND2 3.08Å; M491-N545 PolarHBondContact N-OD1 3.47Å; M491-N545 PolarHBondContact O-ND2 2.87Å; L496-N545 HydrophobicContact CD2-CB 3.95Å; F541-N545 WeakPolarHBondContact O-CB 3.27Å; F541-N545 PolarHBondContact O-N 3.03Å; S542-N545 WeakPolarHBondContact O-CB 3.46Å; S542-N545 PolarHBondContact O-N 3.4Å; S542-N545 VanDerWaalsContact O-N 3.09Å; N545-G547 VanDerWaalsContact C-N 3.27Å; N545-G547 PolarHBondContact O-N 3.36Å; N545-K548 VanDerWaalsContact O-CB 3.3Å; N545-K548 WeakPolarHBondContact O-CB 3.23Å; N545-K548 PolarHBondContact O-N 3.48Å
546	E	81.8	Confident	79.3	Confident	106 Å²	106	66.3 Å²	66.3	50%	0.495	34%	0.338	S	S	.	.	H	α-helix	trans	-55.9	-39.5	174.8	-72.9	177.4	171.5	0	0	112.5	S542 K543 K548 N549	S542-E546 WeakPolarHBondContact O-CG 3.4Å; S542-E546 PolarHBondContact O-N 3.15Å; K543-E546 PolarHBondContact O-N 3.26Å; E546-K548 PolarHBondContact O-N 3.03Å; E546-N549 VanDerWaalsContact O-CB 3.23Å; E546-N549 WeakPolarHBondContact O-CB 3.48Å; E546-N549 PolarHBondContact O-N 3.21Å
547	G	77.1	Confident	78.7	Confident	30 Å²	30	62.2 Å²	62.2	31%	0.309	32%	0.321	S	S	.	.	H	α-helix	trans	-57	-32.1	174.7	0	0	0	0	0	113.9	K543 H544 N545 N549 I550	K543-G547 PolarHBondContact O-N 3.46Å; H544-G547 PolarHBondContact O-N 3.2Å; N545-G547 VanDerWaalsContact C-N 3.27Å; N545-G547 PolarHBondContact O-N 3.36Å; G547-N549 VanDerWaalsContact C-N 3.34Å; G547-I550 PolarHBondContact O-N 2.81Å
548	K	73.9	Confident	78.2	Confident	26 Å²	26	63.3 Å²	63.3	11%	0.113	33%	0.33	C	S	.	.	H	α-helix	trans	-68.6	-33	176.2	-60.4	174.6	174.8	-178.6	0	112.3	C484 G485 G486 R488 H544 N545 E546 I550 F551 Y552	C484-K548 PolarHBondContact O-NZ 3.35Å; G485-K548 PolarHBondContact O-NZ 2.92Å; G486-K548 WeakPolarHBondContact O-CE 3.49Å; G486-K548 PolarHBondContact O-NZ 2.98Å; R488-K548 WeakPolarHBondContact O-CE 3.44Å; R488-K548 PolarHBondContact O-NZ 3.28Å; H544-K548 WeakPolarHBondContact NE2-CE 3.39Å; N545-K548 VanDerWaalsContact O-CB 3.3Å; N545-K548 WeakPolarHBondContact O-CB 3.23Å; N545-K548 PolarHBondContact O-N 3.48Å; E546-K548 PolarHBondContact O-N 3.03Å; K548-I550 VanDerWaalsContact C-N 3.27Å; K548-I550 PolarHBondContact O-N 3.39Å; K548-F551 PolarHBondContact O-N 3.34Å; K548-Y552 PolarHBondContact O-N 3.23Å
549	N	68.4	Low	77.7	Confident	68 Å²	68	62.1 Å²	62.1	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-61.1	-37.3	178.4	-166.1	-4.9	0	0	0	111.3	Y490 E546 G547 F551 Y552 A553	Y490-N549 HydrophobicContact CD2-CB 3.91Å; Y490-N549 HydrophobicContact CE2-CB 3.81Å; Y490-N549 HydrophobicContact CG-CB 4.41Å; E546-N549 VanDerWaalsContact O-CB 3.23Å; E546-N549 WeakPolarHBondContact O-CB 3.48Å; E546-N549 PolarHBondContact O-N 3.21Å; G547-N549 VanDerWaalsContact C-N 3.34Å; N549-F551 VanDerWaalsContact C-N 3.32Å; N549-F551 PolarHBondContact O-N 2.73Å; N549-Y552 PolarHBondContact O-N 3.36Å; N549-A553 WeakPolarHBondContact O-CB 3.38Å; N549-A553 PolarHBondContact O-N 3Å
550	I	60.5	Low	77.3	Confident	120 Å²	120	59.3 Å²	59.3	62%	0.615	31%	0.309	S	S	*	.	H	α-helix	trans	-59.7	-41.5	178.1	-55.2	176.4	0	0	0	111.4	G547 K548 Y552 A553 A554	G547-I550 PolarHBondContact O-N 2.81Å; K548-I550 VanDerWaalsContact C-N 3.27Å; K548-I550 PolarHBondContact O-N 3.39Å; I550-Y552 VanDerWaalsContact C-N 3.29Å; I550-Y552 PolarHBondContact O-N 3.44Å; I550-A553 PolarHBondContact O-N 3.42Å; I550-A554 WeakPolarHBondContact O-CB 3.39Å; I550-A554 PolarHBondContact O-N 3.08Å
551	F	55.7	Low	77	Confident	164 Å²	164	60.3 Å²	60.3	72%	0.719	31%	0.309	S	S	*	.	H	α-helix	trans	-72.4	-16.5	176.7	-79.1	-82.3	0	0	0	114.4	K548 N549 R555	K548-F551 PolarHBondContact O-N 3.34Å; N549-F551 VanDerWaalsContact C-N 3.32Å; N549-F551 PolarHBondContact O-N 2.73Å; F551-R555 WeakPolarHBondContact O-CG 3.34Å; F551-R555 PolarHBondContact O-NE 2.85Å
552	Y	57.8	Low	76.9	Confident	100 Å²	100	61.2 Å²	61.2	39%	0.392	32%	0.317	S	S	.	.	H	α-helix	trans	-85.2	-47.4	167.4	-87	-102.9	0	0	0	111	K548 N549 I550 A554 R555	K548-Y552 PolarHBondContact O-N 3.23Å; N549-Y552 PolarHBondContact O-N 3.36Å; I550-Y552 VanDerWaalsContact C-N 3.29Å; I550-Y552 PolarHBondContact O-N 3.44Å; Y552-A554 PolarHBondContact O-N 3.03Å; Y552-R555 VanDerWaalsContact CE2-NH2 3.27Å; Y552-R555 VanDerWaalsContact O-CB 3.29Å; Y552-R555 WeakPolarHBondContact O-CB 3.47Å; Y552-R555 WeakPolarHBondContact O-CG 3.3Å; Y552-R555 PolarHBondContact O-N 3.22Å
553	A	61	Low	76.8	Confident	33 Å²	33	62.2 Å²	62.2	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-28.9	177.9	0	0	0	0	0	113.4	N549 I550 R555 P557 W600	N549-A553 WeakPolarHBondContact O-CB 3.38Å; N549-A553 PolarHBondContact O-N 3Å; I550-A553 PolarHBondContact O-N 3.42Å; A553-R555 VanDerWaalsContact C-N 3.3Å; A553-R555 PolarHBondContact O-N 3.18Å; A553-P557 WeakPolarHBondContact O-CD 3.42Å; A553-W600 WeakPolarHBondContact O-CH2 3.28Å; A553-W600 WeakPolarHBondContact O-CZ2 3.37Å
554	A	65.4	Low	76.8	Confident	54 Å²	54	57.4 Å²	57.4	45%	0.446	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.3	174	0	0	0	0	0	114.5	I550 Y552 P557 A558	I550-A554 WeakPolarHBondContact O-CB 3.39Å; I550-A554 PolarHBondContact O-N 3.08Å; Y552-A554 PolarHBondContact O-N 3.03Å; A554-P557 WeakPolarHBondContact O-CG 3.46Å; A554-A558 WeakPolarHBondContact O-CB 3.47Å; A554-A558 PolarHBondContact O-N 3.05Å
555	R	73	Confident	76.9	Confident	90 Å²	90	60 Å²	60	34%	0.34	31%	0.312	S	S	.	.	H	α-helix	trans	-69.4	-53.4	-176.8	-61.9	178.1	-172.9	-173.2	1.6	111.6	F551 Y552 A553 A558 T559	F551-R555 WeakPolarHBondContact O-CG 3.34Å; F551-R555 PolarHBondContact O-NE 2.85Å; Y552-R555 VanDerWaalsContact CE2-NH2 3.27Å; Y552-R555 VanDerWaalsContact O-CB 3.29Å; Y552-R555 WeakPolarHBondContact O-CB 3.47Å; Y552-R555 WeakPolarHBondContact O-CG 3.3Å; Y552-R555 PolarHBondContact O-N 3.22Å; A553-R555 VanDerWaalsContact C-N 3.3Å; A553-R555 PolarHBondContact O-N 3.18Å; R555-A558 CarbonylContact O-C 3.53Å; R555-A558 WeakPolarHBondContact O-CA 3.35Å; R555-A558 WeakPolarHBondContact O-CB 3.45Å; R555-A558 PolarHBondContact O-N 3.24Å; R555-T559 WeakPolarHBondContact O-CG2 3.43Å; R555-T559 PolarHBondContact O-N 3.33Å
556	T	79.5	Confident	77.2	Confident	8 Å²	8	66 Å²	66	5%	0.049	34%	0.338	C	S	.	.	H	α-helix	trans	-53.5	-50.7	-177.4	-53.9	0	0	0	0	114.3	A558 T559 L560 W600 I616 D617 A620	T556-A558 VanDerWaalsContact C-N 3.32Å; T556-A558 PolarHBondContact O-N 3.45Å; T556-T559 PolarHBondContact O-N 3.4Å; T556-T559 PolarHBondContact O-OG1 3.48Å; T556-L560 HydrophobicContact CG2-CD1 4.2Å; T556-L560 WeakPolarHBondContact O-CG 3.45Å; T556-L560 PolarHBondContact O-N 2.83Å; T556-L560 VanDerWaalsContact O-N 3.15Å; T556-W600 HydrophobicContact CG2-CD2 4.37Å; T556-W600 HydrophobicContact CG2-CG 4.13Å; T556-W600 VanDerWaalsContact CG2-NE1 3.35Å; T556-I616 HydrophobicContact CG2-CG2 3.88Å; T556-D617 VanDerWaalsContact CB-OD1 3.24Å; T556-D617 WeakPolarHBondContact CB-OD1 3.39Å; T556-D617 WeakPolarHBondContact CG2-OD1 3.42Å; T556-D617 PolarHBondContact OG1-OD1 3.47Å; T556-A620 HydrophobicContact CG2-CB 3.77Å
557	P	82.7	Confident	77.5	Confident	24 Å²	24	61.5 Å²	61.5	16%	0.156	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-37.5	175.1	25	-33.4	0	0	0	111.5	A553 A554 T559 L560 F561 L597 W600	A553-P557 WeakPolarHBondContact O-CD 3.42Å; A554-P557 WeakPolarHBondContact O-CG 3.46Å; P557-T559 PolarHBondContact O-N 3.15Å; P557-L560 PolarHBondContact O-N 3.49Å; P557-F561 WeakPolarHBondContact O-CB 3.45Å; P557-F561 WeakPolarHBondContact O-CD2 3.42Å; P557-F561 PolarHBondContact O-N 3.34Å; P557-L597 HydrophobicContact CB-CD1 3.81Å; P557-W600 HydrophobicContact CB-CH2 4.38Å; P557-W600 HydrophobicContact CB-CZ3 4.11Å; P557-W600 HydrophobicContact CG-CH2 3.68Å; P557-W600 HydrophobicContact CG-CZ2 4.27Å; P557-W600 HydrophobicContact CG-CZ3 3.89Å
558	A	83.1	Confident	78.1	Confident	44 Å²	44	67.6 Å²	67.6	36%	0.364	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-35.6	177.5	0	0	0	0	0	113.3	A554 R555 T556 V562	A554-A558 WeakPolarHBondContact O-CB 3.47Å; A554-A558 PolarHBondContact O-N 3.05Å; R555-A558 CarbonylContact O-C 3.53Å; R555-A558 WeakPolarHBondContact O-CA 3.35Å; R555-A558 WeakPolarHBondContact O-CB 3.45Å; R555-A558 PolarHBondContact O-N 3.24Å; T556-A558 VanDerWaalsContact C-N 3.32Å; T556-A558 PolarHBondContact O-N 3.45Å; A558-V562 WeakPolarHBondContact O-CG2 3.42Å; A558-V562 PolarHBondContact O-N 3.03Å
559	T	83.8	Confident	78.9	Confident	8 Å²	8	69.5 Å²	69.5	5%	0.049	35%	0.347	C	S	.	.	H	α-helix	trans	-66.8	-47.4	174.6	75.1	0	0	0	0	110.6	R555 T556 P557 F561 V562 V563 A620 W624	R555-T559 WeakPolarHBondContact O-CG2 3.43Å; R555-T559 PolarHBondContact O-N 3.33Å; T556-T559 PolarHBondContact O-N 3.4Å; T556-T559 PolarHBondContact O-OG1 3.48Å; P557-T559 PolarHBondContact O-N 3.15Å; T559-F561 PolarHBondContact O-N 3.04Å; T559-V562 PolarHBondContact O-N 3.42Å; T559-V563 WeakPolarHBondContact O-CG2 3.29Å; T559-V563 PolarHBondContact O-N 2.59Å; T559-A620 HydrophobicContact CG2-CB 4.32Å; T559-A620 VanDerWaalsContact OG1-CB 3.26Å; T559-A620 WeakPolarHBondContact OG1-CB 3.43Å; T559-W624 HydrophobicContact CG2-CB 4.21Å; T559-W624 HydrophobicContact CG2-CD2 4.18Å; T559-W624 HydrophobicContact CG2-CE3 3.53Å; T559-W624 HydrophobicContact CG2-CG 4.5Å; T559-W624 HydrophobicContact CG2-CZ3 4.18Å
560	L	85.4	Confident	79.8	Confident	4 Å²	4	70 Å²	70	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-60.8	-44.4	178.2	-68.5	171.3	0	0	0	111.4	T556 P557 V562 V563 M564 L596 L597 I616	T556-L560 HydrophobicContact CG2-CD1 4.2Å; T556-L560 WeakPolarHBondContact O-CG 3.45Å; T556-L560 PolarHBondContact O-N 2.83Å; T556-L560 VanDerWaalsContact O-N 3.15Å; P557-L560 PolarHBondContact O-N 3.49Å; L560-V562 VanDerWaalsContact C-N 3.32Å; L560-V562 PolarHBondContact O-N 3.4Å; L560-V563 PolarHBondContact O-N 3.46Å; L560-M564 WeakPolarHBondContact O-CG 3.47Å; L560-M564 PolarHBondContact O-N 2.96Å; L560-L596 HydrophobicContact CD1-CB 4.45Å; L560-L596 HydrophobicContact CD2-CB 4.24Å; L560-L597 HydrophobicContact CB-CD1 4.2Å; L560-L597 HydrophobicContact CD1-CB 4.15Å; L560-L597 HydrophobicContact CD1-CD1 4Å; L560-I616 HydrophobicContact CD1-CG2 4.3Å
561	F	87.4	Confident	81.2	Confident	119 Å²	119	64.9 Å²	64.9	52%	0.522	32%	0.324	S	S	.	.	H	α-helix	trans	-57.3	-41.4	174.7	-91.2	-64.2	0	0	0	113	P557 T559 M564 F565 L597	P557-F561 WeakPolarHBondContact O-CB 3.45Å; P557-F561 WeakPolarHBondContact O-CD2 3.42Å; P557-F561 PolarHBondContact O-N 3.34Å; T559-F561 PolarHBondContact O-N 3.04Å; F561-M564 HydrophobicContact CD1-CE 3.52Å; F561-M564 HydrophobicContact CE1-CE 3.83Å; F561-M564 HydrophobicContact CG-CE 4.07Å; F561-F565 WeakPolarHBondContact O-CB 3.37Å; F561-F565 PolarHBondContact O-N 2.76Å; F561-L597 HydrophobicContact CE1-CD2 4.42Å; F561-L597 HydrophobicContact CE2-CD2 4.11Å; F561-L597 HydrophobicContact CZ-CD2 3.96Å
562	V	88.4	Confident	82.6	Confident	54 Å²	54	59.3 Å²	59.3	33%	0.327	31%	0.313	S	S	.	.	H	α-helix	trans	-78.2	-27.5	180	-174.5	0	0	0	0	112.4	A558 T559 L560 F566	A558-V562 WeakPolarHBondContact O-CG2 3.42Å; A558-V562 PolarHBondContact O-N 3.03Å; T559-V562 PolarHBondContact O-N 3.42Å; L560-V562 VanDerWaalsContact C-N 3.32Å; L560-V562 PolarHBondContact O-N 3.4Å; V562-F566 WeakPolarHBondContact O-CB 3.34Å; V562-F566 PolarHBondContact O-N 3.45Å; V562-F566 VanDerWaalsContact O-N 3.1Å
563	V	87.7	Confident	84.1	Confident	45 Å²	45	58.2 Å²	58.2	27%	0.273	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-51.2	167.7	171	0	0	0	0	110.1	T559 L560 F565 F566 T567 A593	T559-V563 WeakPolarHBondContact O-CG2 3.29Å; T559-V563 PolarHBondContact O-N 2.59Å; L560-V563 PolarHBondContact O-N 3.46Å; V563-F565 VanDerWaalsContact C-N 3.35Å; V563-F565 PolarHBondContact O-N 2.97Å; V563-F566 PolarHBondContact O-N 3.28Å; V563-T567 HydrophobicContact CG1-CG2 4.5Å; V563-T567 PolarHBondContact O-N 2.94Å; V563-T567 PolarHBondContact O-OG1 3.47Å; V563-A593 HydrophobicContact CG1-CB 4.17Å
564	M	88.6	Confident	85.3	Confident	18 Å²	18	57.4 Å²	57.4	9%	0.089	31%	0.308	C	S	.	.	H	α-helix	trans	-57	-44.9	177.2	-70.5	-168.3	-63.1	0	0	112.3	L560 F561 F566 T567 Y568 L590 A593 L594 L597	L560-M564 WeakPolarHBondContact O-CG 3.47Å; L560-M564 PolarHBondContact O-N 2.96Å; F561-M564 HydrophobicContact CD1-CE 3.52Å; F561-M564 HydrophobicContact CE1-CE 3.83Å; F561-M564 HydrophobicContact CG-CE 4.07Å; M564-F566 PolarHBondContact O-N 3.46Å; M564-T567 PolarHBondContact O-N 3.47Å; M564-T567 PolarHBondContact O-OG1 3.17Å; M564-Y568 VanDerWaalsContact O-CB 3.25Å; M564-Y568 WeakPolarHBondContact O-CB 3.33Å; M564-Y568 PolarHBondContact O-N 3.1Å; M564-L590 HydrophobicContact CB-CD1 3.59Å; M564-L590 HydrophobicContact CG-CD1 3.79Å; M564-L590 HydrophobicContact SD-CD1 4.42Å; M564-A593 HydrophobicContact CG-CB 3.62Å; M564-L594 HydrophobicContact SD-CB 3.97Å; M564-L594 HydrophobicContact SD-CD1 3.96Å; M564-L597 HydrophobicContact CE-CD2 3.8Å
565	F	89.9	Confident	86.1	Confident	142 Å²	142	56.7 Å²	56.7	62%	0.623	31%	0.306	S	S	*	.	H	α-helix	trans	-60.9	-44.1	176.8	-179.5	-96.4	0	0	0	112	F561 V563 V569	F561-F565 WeakPolarHBondContact O-CB 3.37Å; F561-F565 PolarHBondContact O-N 2.76Å; V563-F565 VanDerWaalsContact C-N 3.35Å; V563-F565 PolarHBondContact O-N 2.97Å; F565-V569 HydrophobicContact CE1-CG2 4.18Å; F565-V569 HydrophobicContact CE2-CG2 4.44Å; F565-V569 HydrophobicContact CZ-CG2 4.11Å; F565-V569 WeakPolarHBondContact O-CG2 3.39Å; F565-V569 PolarHBondContact O-N 3.05Å; F565-V569 VanDerWaalsContact O-N 3.11Å
566	F	89.3	Confident	86.7	Confident	128 Å²	128	61.4 Å²	61.4	56%	0.561	33%	0.329	S	S	*	.	H	α-helix	trans	-68.3	-41.7	-179.7	-174.5	-97.8	0	0	0	112.5	V562 V563 M564 V569 L570	V562-F566 WeakPolarHBondContact O-CB 3.34Å; V562-F566 PolarHBondContact O-N 3.45Å; V562-F566 VanDerWaalsContact O-N 3.1Å; V563-F566 PolarHBondContact O-N 3.28Å; M564-F566 PolarHBondContact O-N 3.46Å; F566-V569 PolarHBondContact O-N 3.48Å; F566-L570 HydrophobicContact CE1-CD2 4.34Å; F566-L570 VanDerWaalsContact O-CB 3.31Å; F566-L570 WeakPolarHBondContact O-CB 3.43Å; F566-L570 PolarHBondContact O-N 3.23Å
567	T	88.6	Confident	87	Confident	13 Å²	13	66.3 Å²	66.3	8%	0.08	35%	0.354	C	S	.	.	H	α-helix	trans	-70.5	-34.2	177.8	53.7	0	0	0	0	112.4	V563 M564 L570 S571 V589	V563-T567 HydrophobicContact CG1-CG2 4.5Å; V563-T567 PolarHBondContact O-N 2.94Å; V563-T567 PolarHBondContact O-OG1 3.47Å; M564-T567 PolarHBondContact O-N 3.47Å; M564-T567 PolarHBondContact O-OG1 3.17Å; T567-L570 PolarHBondContact O-N 3.49Å; T567-S571 VanDerWaalsContact O-CB 3.25Å; T567-S571 WeakPolarHBondContact O-CB 3.29Å; T567-S571 PolarHBondContact O-N 3.15Å; T567-V589 HydrophobicContact CG2-CB 4.14Å; T567-V589 HydrophobicContact CG2-CG1 3.83Å
568	Y	90.6	Very high	86.8	Confident	157 Å²	157	67.9 Å²	67.9	62%	0.616	38%	0.375	S	S	*	.	H	α-helix	trans	-61	-48.9	171.6	178.7	-102.1	0	0	0	112.1	M564 L570 S571 G572 L590	M564-Y568 VanDerWaalsContact O-CB 3.25Å; M564-Y568 WeakPolarHBondContact O-CB 3.33Å; M564-Y568 PolarHBondContact O-N 3.1Å; Y568-L570 PolarHBondContact O-N 3.2Å; Y568-S571 WeakPolarHBondContact O-CB 3.47Å; Y568-S571 PolarHBondContact O-N 3.4Å; Y568-G572 PolarHBondContact O-N 3.23Å; Y568-L590 HydrophobicContact CD2-CD2 4.16Å
569	V	90	Very high	87	Confident	67 Å²	67	69.5 Å²	69.5	41%	0.406	38%	0.377	S	S	.	.	H	α-helix	trans	-63.6	-42.6	176.7	173.1	0	0	0	0	111.4	F565 F566 S571 G572 V573	F565-V569 HydrophobicContact CE1-CG2 4.18Å; F565-V569 HydrophobicContact CE2-CG2 4.44Å; F565-V569 HydrophobicContact CZ-CG2 4.11Å; F565-V569 WeakPolarHBondContact O-CG2 3.39Å; F565-V569 PolarHBondContact O-N 3.05Å; F565-V569 VanDerWaalsContact O-N 3.11Å; F566-V569 PolarHBondContact O-N 3.48Å; V569-S571 VanDerWaalsContact C-N 3.34Å; V569-S571 PolarHBondContact O-N 3.41Å; V569-G572 PolarHBondContact O-N 2.95Å; V569-V573 WeakPolarHBondContact O-CG2 3.47Å; V569-V573 PolarHBondContact O-N 3.19Å
570	L	88.1	Confident	86.9	Confident	77 Å²	77	73.2 Å²	73.2	40%	0.403	40%	0.403	S	S	.	.	H	α-helix	trans	-63.3	-39.5	177.3	-177.2	62.5	0	0	0	112.1	F566 T567 Y568 T574	F566-L570 HydrophobicContact CE1-CD2 4.34Å; F566-L570 VanDerWaalsContact O-CB 3.31Å; F566-L570 WeakPolarHBondContact O-CB 3.43Å; F566-L570 PolarHBondContact O-N 3.23Å; T567-L570 PolarHBondContact O-N 3.49Å; Y568-L570 PolarHBondContact O-N 3.2Å; L570-T574 HydrophobicContact CD1-CG2 4.07Å; L570-T574 HydrophobicContact CG-CG2 4.48Å; L570-T574 WeakPolarHBondContact O-CB 3.23Å; L570-T574 WeakPolarHBondContact O-CG2 3.18Å; L570-T574 PolarHBondContact O-N 3.36Å; L570-T574 PolarHBondContact O-OG1 2.91Å
571	S	89.6	Confident	86.9	Confident	13 Å²	13	78.4 Å²	78.4	9%	0.091	44%	0.435	C	S	.	.	H	α-helix	trans	-61.5	-47.9	174.1	-179	0	0	0	0	111.6	T567 Y568 V569 V573 T574 G575 N587	T567-S571 VanDerWaalsContact O-CB 3.25Å; T567-S571 WeakPolarHBondContact O-CB 3.29Å; T567-S571 PolarHBondContact O-N 3.15Å; Y568-S571 WeakPolarHBondContact O-CB 3.47Å; Y568-S571 PolarHBondContact O-N 3.4Å; V569-S571 VanDerWaalsContact C-N 3.34Å; V569-S571 PolarHBondContact O-N 3.41Å; S571-V573 PolarHBondContact O-N 3.23Å; S571-T574 PolarHBondContact O-N 3.44Å; S571-T574 PolarHBondContact O-OG1 3.5Å; S571-G575 PolarHBondContact O-N 3.24Å; S571-N587 WeakPolarHBondContact CB-OD1 3.43Å; S571-N587 PolarHBondContact OG-ND2 2.95Å; S571-N587 PolarHBondContact OG-OD1 2.87Å
572	G	85.6	Confident	86.7	Confident	48 Å²	48	78.7 Å²	78.7	50%	0.495	44%	0.436	S	S	.	.	H	α-helix	trans	-59.2	-46.1	176.6	0	0	0	0	0	113.1	Y568 V569 F576	Y568-G572 PolarHBondContact O-N 3.23Å; V569-G572 PolarHBondContact O-N 2.95Å; G572-F576 WeakPolarHBondContact O-CB 3.23Å; G572-F576 PolarHBondContact O-N 2.87Å
573	V	88	Confident	86.5	Confident	77 Å²	77	76.6 Å²	76.6	47%	0.467	42%	0.424	S	S	.	.	H	α-helix	trans	-68	-45.9	179.4	173.6	0	0	0	0	111.9	V569 S571 F576 I577	V569-V573 WeakPolarHBondContact O-CG2 3.47Å; V569-V573 PolarHBondContact O-N 3.19Å; S571-V573 PolarHBondContact O-N 3.23Å; V573-F576 PolarHBondContact O-N 3.35Å; V573-I577 HydrophobicContact CG1-CD1 3.8Å; V573-I577 WeakPolarHBondContact O-CD1 3.37Å; V573-I577 VanDerWaalsContact O-CG1 3.28Å; V573-I577 WeakPolarHBondContact O-CG1 3.43Å; V573-I577 PolarHBondContact O-N 2.93Å; V573-I577 VanDerWaalsContact O-N 3.1Å
574	T	86.4	Confident	86.5	Confident	15 Å²	15	77.3 Å²	77.3	9%	0.092	44%	0.435	C	S	.	.	H	α-helix	trans	-68.7	-35.1	179.3	50.8	0	0	0	0	112.4	L570 S571 I577 G578 L579 F582 A583	L570-T574 HydrophobicContact CD1-CG2 4.07Å; L570-T574 HydrophobicContact CG-CG2 4.48Å; L570-T574 WeakPolarHBondContact O-CB 3.23Å; L570-T574 WeakPolarHBondContact O-CG2 3.18Å; L570-T574 PolarHBondContact O-N 3.36Å; L570-T574 PolarHBondContact O-OG1 2.91Å; S571-T574 PolarHBondContact O-N 3.44Å; S571-T574 PolarHBondContact O-OG1 3.5Å; T574-I577 PolarHBondContact O-N 3.04Å; T574-G578 PolarHBondContact O-N 2.86Å; T574-L579 PolarHBondContact O-N 2.89Å; T574-F582 HydrophobicContact CG2-CB 4.14Å; T574-A583 WeakPolarHBondContact OG1-CA 3.39Å; T574-A583 PolarHBondContact OG1-N 3.48Å
575	G	82.9	Confident	86.5	Confident	39 Å²	39	81.4 Å²	81.4	40%	0.402	46%	0.456	S	S	.	.	H	α-helix	trans	-62.8	-43.6	171.5	0	0	0	0	0	112.6	S571 I577 G578	S571-G575 PolarHBondContact O-N 3.24Å; G575-I577 VanDerWaalsContact C-N 3.31Å; G575-I577 PolarHBondContact O-N 3.46Å; G575-G578 PolarHBondContact O-N 3.24Å
576	F	84.4	Confident	86.4	Confident	190 Å²	190	75 Å²	75	83%	0.833	43%	0.429	S	S	*	.	H	α-helix	trans	-63.7	-33.8	176.2	-175.3	-96.3	0	0	0	113.2	G572 V573 G578	G572-F576 WeakPolarHBondContact O-CB 3.23Å; G572-F576 PolarHBondContact O-N 2.87Å; V573-F576 PolarHBondContact O-N 3.35Å; F576-G578 PolarHBondContact O-N 3.22Å
577	I	86.6	Confident	86.3	Confident	110 Å²	110	72.6 Å²	72.6	56%	0.564	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-7.3	175.3	-61.3	163.4	0	0	0	111.7	V573 T574 G575 L579	V573-I577 HydrophobicContact CG1-CD1 3.8Å; V573-I577 WeakPolarHBondContact O-CD1 3.37Å; V573-I577 VanDerWaalsContact O-CG1 3.28Å; V573-I577 WeakPolarHBondContact O-CG1 3.43Å; V573-I577 PolarHBondContact O-N 2.93Å; V573-I577 VanDerWaalsContact O-N 3.1Å; T574-I577 PolarHBondContact O-N 3.04Å; G575-I577 VanDerWaalsContact C-N 3.31Å; G575-I577 PolarHBondContact O-N 3.46Å; I577-L579 HydrophobicContact CG2-CD1 3.99Å; I577-L579 HydrophobicContact CG2-CG 4.04Å
578	G	79.2	Confident	86.5	Confident	57 Å²	57	77.2 Å²	77.2	59%	0.588	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	7.9	-178	0	0	0	0	0	114.6	T574 G575 F576 S580	T574-G578 PolarHBondContact O-N 2.86Å; G575-G578 PolarHBondContact O-N 3.24Å; F576-G578 PolarHBondContact O-N 3.22Å; G578-S580 PolarHBondContact O-N 2.89Å
579	L	86.1	Confident	86.4	Confident	79 Å²	79	72.7 Å²	72.7	41%	0.414	44%	0.435	S	S	.	.			trans	-80.5	62.9	179.2	-67.8	175.3	0	0	0	111.3	T574 I577 V581 F582 A583	T574-L579 PolarHBondContact O-N 2.89Å; I577-L579 HydrophobicContact CG2-CD1 3.99Å; I577-L579 HydrophobicContact CG2-CG 4.04Å; L579-V581 VanDerWaalsContact C-N 3.29Å; L579-V581 PolarHBondContact O-N 3.42Å; L579-V581 VanDerWaalsContact O-N 3.16Å; L579-F582 HydrophobicContact CB-CB 4.34Å; L579-F582 HydrophobicContact CB-CD2 4.14Å; L579-F582 PolarHBondContact O-N 2.94Å; L579-A583 PolarHBondContact O-N 3.3Å
580	S	81.6	Confident	86.4	Confident	86 Å²	86	71.3 Å²	71.3	60%	0.601	43%	0.425	S	S	*	.	H	α-helix	trans	-51	-40.1	-172.2	58.9	0	0	0	0	114.6	G578 A583 A584	G578-S580 PolarHBondContact O-N 2.89Å; S580-A583 PolarHBondContact O-N 2.87Å; S580-A584 WeakPolarHBondContact O-CB 3.44Å; S580-A584 PolarHBondContact O-N 3.47Å
581	V	86.1	Confident	86.5	Confident	113 Å²	113	69.2 Å²	69.2	69%	0.685	42%	0.422	S	S	*	.	H	α-helix	trans	-63.9	-40.7	178	-178.7	0	0	0	0	111.8	L579 L585	L579-V581 VanDerWaalsContact C-N 3.29Å; L579-V581 PolarHBondContact O-N 3.42Å; L579-V581 VanDerWaalsContact O-N 3.16Å; V581-L585 WeakPolarHBondContact O-CB 3.42Å; V581-L585 PolarHBondContact O-N 3.33Å
582	F	84.1	Confident	86.5	Confident	125 Å²	125	71.9 Å²	71.9	55%	0.548	44%	0.438	S	S	.	.	H	α-helix	trans	-74.1	-35.7	178.3	-70.3	-83.6	0	0	0	111.9	T574 L579 L585 A586	T574-F582 HydrophobicContact CG2-CB 4.14Å; L579-F582 HydrophobicContact CB-CB 4.34Å; L579-F582 HydrophobicContact CB-CD2 4.14Å; L579-F582 PolarHBondContact O-N 2.94Å; F582-L585 PolarHBondContact O-N 3.11Å; F582-A586 WeakPolarHBondContact O-CB 3.26Å; F582-A586 PolarHBondContact O-N 3.36Å
583	A	84	Confident	86.7	Confident	9 Å²	9	69.9 Å²	69.9	7%	0.074	42%	0.416	C	S	.	.	H	α-helix	trans	-64.8	-42.4	172.7	0	0	0	0	0	111.7	T574 L579 S580 A586 N587	T574-A583 WeakPolarHBondContact OG1-CA 3.39Å; T574-A583 PolarHBondContact OG1-N 3.48Å; L579-A583 PolarHBondContact O-N 3.3Å; S580-A583 PolarHBondContact O-N 2.87Å; A583-A586 PolarHBondContact O-N 3.08Å; A583-N587 WeakPolarHBondContact O-CB 3.21Å; A583-N587 VanDerWaalsContact O-CG 3.31Å; A583-N587 PolarHBondContact O-N 3.02Å; A583-N587 PolarHBondContact O-ND2 3.49Å
584	A	86.4	Confident	86.8	Confident	60 Å²	60	70.6 Å²	70.6	50%	0.496	42%	0.417	S	S	.	.	H	α-helix	trans	-61.1	-43.3	174.2	0	0	0	0	0	112.1	S580 N587 L588	S580-A584 WeakPolarHBondContact O-CB 3.44Å; S580-A584 PolarHBondContact O-N 3.47Å; A584-N587 PolarHBondContact O-N 3.3Å; A584-L588 PolarHBondContact O-N 3.2Å
585	L	89.3	Confident	87.1	Confident	104 Å²	104	75.1 Å²	75.1	55%	0.545	44%	0.44	S	S	.	.	H	α-helix	trans	-63.3	-42.9	175.3	-175.7	63.3	0	0	0	112.1	V581 F582 N587 L588 V589	V581-L585 WeakPolarHBondContact O-CB 3.42Å; V581-L585 PolarHBondContact O-N 3.33Å; F582-L585 PolarHBondContact O-N 3.11Å; L585-N587 PolarHBondContact O-N 2.81Å; L585-L588 PolarHBondContact O-N 3Å; L585-V589 WeakPolarHBondContact O-CG2 3.18Å; L585-V589 PolarHBondContact O-N 3.44Å
586	A	87	Confident	87.4	Confident	7 Å²	7	75.5 Å²	75.5	6%	0.058	43%	0.433	C	S	.	.	H	α-helix	trans	-63.4	-40.2	176.4	0	0	0	0	0	112.2	F582 A583 V589 L590	F582-A586 WeakPolarHBondContact O-CB 3.26Å; F582-A586 PolarHBondContact O-N 3.36Å; A583-A586 PolarHBondContact O-N 3.08Å; A586-V589 PolarHBondContact O-N 3.23Å; A586-L590 WeakPolarHBondContact O-CB 3.36Å; A586-L590 PolarHBondContact O-N 3.06Å
587	N	88.4	Confident	87.6	Confident	79 Å²	79	67.7 Å²	67.7	42%	0.422	40%	0.399	S	S	.	.	H	α-helix	trans	-65.4	-35.4	173.3	-72.4	-29.1	0	0	0	112.8	S571 A583 A584 L585 L590 G591	S571-N587 WeakPolarHBondContact CB-OD1 3.43Å; S571-N587 PolarHBondContact OG-ND2 2.95Å; S571-N587 PolarHBondContact OG-OD1 2.87Å; A583-N587 WeakPolarHBondContact O-CB 3.21Å; A583-N587 VanDerWaalsContact O-CG 3.31Å; A583-N587 PolarHBondContact O-N 3.02Å; A583-N587 PolarHBondContact O-ND2 3.49Å; A584-N587 PolarHBondContact O-N 3.3Å; L585-N587 PolarHBondContact O-N 2.81Å; N587-L590 WeakPolarHBondContact O-CB 3.33Å; N587-L590 PolarHBondContact O-N 3.34Å; N587-G591 PolarHBondContact O-N 3.05Å
588	L	91.8	Very high	87.8	Confident	110 Å²	110	66 Å²	66	58%	0.576	40%	0.396	S	S	*	.	H	α-helix	trans	-65.3	-44.8	174.7	-175.5	149.7	0	0	0	111.2	A584 L585 L590 G591 V592	A584-L588 PolarHBondContact O-N 3.2Å; L585-L588 PolarHBondContact O-N 3Å; L588-L590 VanDerWaalsContact C-N 3.34Å; L588-L590 PolarHBondContact O-N 3.21Å; L588-G591 PolarHBondContact O-N 3.3Å; L588-V592 HydrophobicContact CD2-CG2 4.28Å; L588-V592 WeakPolarHBondContact O-CG2 3.49Å; L588-V592 PolarHBondContact O-N 3.47Å
589	V	89.3	Confident	88.2	Confident	62 Å²	62	67 Å²	67	38%	0.376	39%	0.387	S	S	.	.	H	α-helix	trans	-65.6	-36.8	176	-179	0	0	0	0	111.5	T567 L585 A586 V592 A593	T567-V589 HydrophobicContact CG2-CB 4.14Å; T567-V589 HydrophobicContact CG2-CG1 3.83Å; L585-V589 WeakPolarHBondContact O-CG2 3.18Å; L585-V589 PolarHBondContact O-N 3.44Å; A586-V589 PolarHBondContact O-N 3.23Å; V589-V592 PolarHBondContact O-N 3.44Å; V589-A593 WeakPolarHBondContact O-CB 3.4Å; V589-A593 PolarHBondContact O-N 3.27Å
590	L	90.5	Very high	88.2	Confident	38 Å²	38	64.7 Å²	64.7	20%	0.199	37%	0.373	C	S	.	.	H	α-helix	trans	-59.3	-46.4	171	176	59.2	0	0	0	111.8	M564 Y568 A586 N587 L588 A593 L594	M564-L590 HydrophobicContact CB-CD1 3.59Å; M564-L590 HydrophobicContact CG-CD1 3.79Å; M564-L590 HydrophobicContact SD-CD1 4.42Å; Y568-L590 HydrophobicContact CD2-CD2 4.16Å; A586-L590 WeakPolarHBondContact O-CB 3.36Å; A586-L590 PolarHBondContact O-N 3.06Å; N587-L590 WeakPolarHBondContact O-CB 3.33Å; N587-L590 PolarHBondContact O-N 3.34Å; L588-L590 VanDerWaalsContact C-N 3.34Å; L588-L590 PolarHBondContact O-N 3.21Å; L590-A593 PolarHBondContact O-N 3.38Å; L590-L594 WeakPolarHBondContact O-CB 3.38Å; L590-L594 PolarHBondContact O-N 3.1Å
591	G	88.8	Confident	88.3	Confident	32 Å²	32	63 Å²	63	33%	0.33	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-43	176.5	0	0	0	0	0	113.1	N587 L588 L594 L595	N587-G591 PolarHBondContact O-N 3.05Å; L588-G591 PolarHBondContact O-N 3.3Å; G591-L594 PolarHBondContact O-N 2.98Å; G591-L595 WeakPolarHBondContact O-CG 3.24Å; G591-L595 PolarHBondContact O-N 3.29Å
592	V	90.9	Very high	88.2	Confident	70 Å²	70	63.4 Å²	63.4	42%	0.424	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-45.7	174.8	172.1	0	0	0	0	111.2	L588 V589 L594 L595 L596	L588-V592 HydrophobicContact CD2-CG2 4.28Å; L588-V592 WeakPolarHBondContact O-CG2 3.49Å; L588-V592 PolarHBondContact O-N 3.47Å; V589-V592 PolarHBondContact O-N 3.44Å; V592-L594 VanDerWaalsContact C-N 3.31Å; V592-L594 PolarHBondContact O-N 3.16Å; V592-L595 PolarHBondContact O-N 2.91Å; V592-L596 HydrophobicContact CG1-CD1 3.94Å; V592-L596 HydrophobicContact CG1-CG 4.35Å; V592-L596 VanDerWaalsContact O-CG 3.29Å; V592-L596 WeakPolarHBondContact O-CG 3.49Å; V592-L596 PolarHBondContact O-N 2.85Å
593	A	89	Confident	88.2	Confident	5 Å²	5	57.9 Å²	57.9	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-36.4	178.5	0	0	0	0	0	112.7	V563 M564 V589 L590 L597	V563-A593 HydrophobicContact CG1-CB 4.17Å; M564-A593 HydrophobicContact CG-CB 3.62Å; V589-A593 WeakPolarHBondContact O-CB 3.4Å; V589-A593 PolarHBondContact O-N 3.27Å; L590-A593 PolarHBondContact O-N 3.38Å; A593-L597 PolarHBondContact O-N 3.33Å
594	L	91.1	Very high	87.9	Confident	92 Å²	92	62.6 Å²	62.6	48%	0.482	35%	0.35	S	S	.	.	H	α-helix	trans	-66.5	-44.3	173.4	-175.5	67.4	0	0	0	111.9	M564 L590 G591 V592 L596 L597 C598	M564-L594 HydrophobicContact SD-CB 3.97Å; M564-L594 HydrophobicContact SD-CD1 3.96Å; L590-L594 WeakPolarHBondContact O-CB 3.38Å; L590-L594 PolarHBondContact O-N 3.1Å; G591-L594 PolarHBondContact O-N 2.98Å; V592-L594 VanDerWaalsContact C-N 3.31Å; V592-L594 PolarHBondContact O-N 3.16Å; L594-L596 PolarHBondContact O-N 3.3Å; L594-L597 WeakPolarHBondContact O-CB 3.29Å; L594-L597 PolarHBondContact O-N 3.47Å; L594-C598 PolarHBondContact O-N 2.92Å; L594-C598 PolarHBondContact O-SG 3.45Å; L594-C598 VanDerWaalsContact O-SG 3.39Å
595	L	90.8	Very high	87.4	Confident	111 Å²	111	69.9 Å²	69.9	58%	0.581	37%	0.366	S	S	*	.	H	α-helix	trans	-61.8	-42.7	176	-73.8	169.1	0	0	0	111.8	G591 V592 L597 C598 I599	G591-L595 WeakPolarHBondContact O-CG 3.24Å; G591-L595 PolarHBondContact O-N 3.29Å; V592-L595 PolarHBondContact O-N 2.91Å; L595-L597 VanDerWaalsContact C-N 3.33Å; L595-L597 PolarHBondContact O-N 3.05Å; L595-C598 PolarHBondContact O-N 3.4Å; L595-I599 WeakPolarHBondContact O-CB 3.21Å; L595-I599 VanDerWaalsContact O-CG1 3.26Å; L595-I599 WeakPolarHBondContact O-CG1 3.47Å; L595-I599 PolarHBondContact O-N 3.4Å
596	L	90.3	Very high	86.8	Confident	47 Å²	47	67.1 Å²	67.1	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-62.1	-39.3	174.8	-66.9	169.3	0	0	0	111.6	L560 V592 L594 W600 I616	L560-L596 HydrophobicContact CD1-CB 4.45Å; L560-L596 HydrophobicContact CD2-CB 4.24Å; V592-L596 HydrophobicContact CG1-CD1 3.94Å; V592-L596 HydrophobicContact CG1-CG 4.35Å; V592-L596 VanDerWaalsContact O-CG 3.29Å; V592-L596 WeakPolarHBondContact O-CG 3.49Å; V592-L596 PolarHBondContact O-N 2.85Å; L594-L596 PolarHBondContact O-N 3.3Å; L596-W600 WeakPolarHBondContact O-CB 3.25Å; L596-W600 PolarHBondContact O-N 2.71Å; L596-I616 HydrophobicContact CD2-CD1 4.26Å; L596-I616 HydrophobicContact CD2-CG1 4.03Å
597	L	88.8	Confident	85.6	Confident	25 Å²	25	68.6 Å²	68.6	13%	0.131	37%	0.371	C	S	.	.	H	α-helix	trans	-64.2	-42.8	174.2	-172.2	75	0	0	0	111.9	P557 L560 F561 M564 A593 L594 L595 W600 A601	P557-L597 HydrophobicContact CB-CD1 3.81Å; L560-L597 HydrophobicContact CB-CD1 4.2Å; L560-L597 HydrophobicContact CD1-CB 4.15Å; L560-L597 HydrophobicContact CD1-CD1 4Å; F561-L597 HydrophobicContact CE1-CD2 4.42Å; F561-L597 HydrophobicContact CE2-CD2 4.11Å; F561-L597 HydrophobicContact CZ-CD2 3.96Å; M564-L597 HydrophobicContact CE-CD2 3.8Å; A593-L597 PolarHBondContact O-N 3.33Å; L594-L597 WeakPolarHBondContact O-CB 3.29Å; L594-L597 PolarHBondContact O-N 3.47Å; L595-L597 VanDerWaalsContact C-N 3.33Å; L595-L597 PolarHBondContact O-N 3.05Å; L597-W600 PolarHBondContact O-N 3.32Å; L597-A601 VanDerWaalsContact O-CB 3.29Å; L597-A601 WeakPolarHBondContact O-CB 3.44Å; L597-A601 PolarHBondContact O-N 3.47Å
598	C	89.4	Confident	84.5	Confident	74 Å²	74	70 Å²	70	50%	0.5	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-42.6	177.2	-70.2	0	0	0	0	112.5	L594 L595 A601 Y602	L594-C598 PolarHBondContact O-N 2.92Å; L594-C598 PolarHBondContact O-SG 3.45Å; L594-C598 VanDerWaalsContact O-SG 3.39Å; L595-C598 PolarHBondContact O-N 3.4Å; C598-A601 PolarHBondContact O-N 3.03Å; C598-Y602 WeakPolarHBondContact O-CB 3.22Å; C598-Y602 PolarHBondContact O-N 2.88Å
599	I	87.9	Confident	83.8	Confident	78 Å²	78	71.9 Å²	71.9	40%	0.4	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-45.1	175.8	-67.7	163	0	0	0	110.1	L595 Y602 V603 I616	L595-I599 WeakPolarHBondContact O-CB 3.21Å; L595-I599 VanDerWaalsContact O-CG1 3.26Å; L595-I599 WeakPolarHBondContact O-CG1 3.47Å; L595-I599 PolarHBondContact O-N 3.4Å; I599-Y602 PolarHBondContact O-N 3.01Å; I599-V603 HydrophobicContact CG2-CG2 4.38Å; I599-V603 WeakPolarHBondContact O-CB 3.31Å; I599-V603 WeakPolarHBondContact O-CG2 3.5Å; I599-V603 PolarHBondContact O-N 3.01Å; I599-I616 HydrophobicContact CB-CD1 4.15Å; I599-I616 HydrophobicContact CG2-CD1 3.74Å
600	W	87.2	Confident	82.8	Confident	31 Å²	31	78.1 Å²	78.1	12%	0.117	40%	0.396	C	S	.	.	H	α-helix	trans	-60	-47.9	176.3	-177	92.4	0	0	0	111.8	A553 T556 P557 L596 L597 Y602 V603 K604 I616 D617	A553-W600 WeakPolarHBondContact O-CH2 3.28Å; A553-W600 WeakPolarHBondContact O-CZ2 3.37Å; T556-W600 HydrophobicContact CG2-CD2 4.37Å; T556-W600 HydrophobicContact CG2-CG 4.13Å; T556-W600 VanDerWaalsContact CG2-NE1 3.35Å; P557-W600 HydrophobicContact CB-CH2 4.38Å; P557-W600 HydrophobicContact CB-CZ3 4.11Å; P557-W600 HydrophobicContact CG-CH2 3.68Å; P557-W600 HydrophobicContact CG-CZ2 4.27Å; P557-W600 HydrophobicContact CG-CZ3 3.89Å; L596-W600 WeakPolarHBondContact O-CB 3.25Å; L596-W600 PolarHBondContact O-N 2.71Å; L597-W600 PolarHBondContact O-N 3.32Å; W600-Y602 VanDerWaalsContact C-N 3.32Å; W600-Y602 PolarHBondContact O-N 3.5Å; W600-V603 PolarHBondContact O-N 2.94Å; W600-K604 HydrophobicContact CD2-CG 3.99Å; W600-K604 HydrophobicContact CE3-CG 4.25Å; W600-K604 HydrophobicContact CH2-CG 4.15Å; W600-K604 HydrophobicContact CZ2-CD 4.22Å; W600-K604 HydrophobicContact CZ2-CG 3.91Å; W600-K604 HydrophobicContact CZ3-CG 4.32Å; W600-K604 VanDerWaalsContact O-CG 3.29Å; W600-K604 WeakPolarHBondContact O-CG 3.43Å; W600-K604 PolarHBondContact O-N 3.45Å; W600-I616 HydrophobicContact CB-CD1 4.28Å; W600-I616 HydrophobicContact CB-CG2 4.2Å; W600-I616 HydrophobicContact CG-CG2 4.39Å; W600-D617 PolarHBondContact NE1-OD1 2.92Å
601	A	83	Confident	82	Confident	50 Å²	50	83.5 Å²	83.5	41%	0.413	42%	0.42	S	S	.	.	H	α-helix	trans	-62.7	-38.6	177.5	0	0	0	0	0	112.2	L597 C598 Y605	L597-A601 VanDerWaalsContact O-CB 3.29Å; L597-A601 WeakPolarHBondContact O-CB 3.44Å; L597-A601 PolarHBondContact O-N 3.47Å; C598-A601 PolarHBondContact O-N 3.03Å; A601-Y605 VanDerWaalsContact O-CB 3.25Å; A601-Y605 WeakPolarHBondContact O-CB 3.43Å; A601-Y605 PolarHBondContact O-N 3.2Å; A601-Y605 VanDerWaalsContact O-N 3.08Å
602	Y	84.8	Confident	81.5	Confident	122 Å²	122	83.6 Å²	83.6	48%	0.478	42%	0.418	S	S	.	.	H	α-helix	trans	-63.7	-51.3	173.8	177	-102.8	0	0	0	111.6	C598 I599 W600 K604 Y605 S606	C598-Y602 WeakPolarHBondContact O-CB 3.22Å; C598-Y602 PolarHBondContact O-N 2.88Å; I599-Y602 PolarHBondContact O-N 3.01Å; W600-Y602 VanDerWaalsContact C-N 3.32Å; W600-Y602 PolarHBondContact O-N 3.5Å; Y602-K604 VanDerWaalsContact C-N 3.33Å; Y602-K604 PolarHBondContact O-N 3.32Å; Y602-Y605 PolarHBondContact O-N 2.94Å; Y602-S606 PolarHBondContact O-N 3.4Å; Y602-S606 PolarHBondContact O-OG 3.23Å; Y602-S606 VanDerWaalsContact O-OG 3.11Å
603	V	84	Confident	80.8	Confident	10 Å²	10	80.4 Å²	80.4	6%	0.061	40%	0.399	C	S	.	.	H	α-helix	trans	-59.7	-39.6	178.8	168.4	0	0	0	0	112.1	I599 W600 Y605 G607 F609	I599-V603 HydrophobicContact CG2-CG2 4.38Å; I599-V603 WeakPolarHBondContact O-CB 3.31Å; I599-V603 WeakPolarHBondContact O-CG2 3.5Å; I599-V603 PolarHBondContact O-N 3.01Å; W600-V603 PolarHBondContact O-N 2.94Å; V603-Y605 VanDerWaalsContact C-N 3.31Å; V603-Y605 PolarHBondContact O-N 2.93Å; V603-G607 WeakPolarHBondContact O-CA 3.46Å; V603-G607 PolarHBondContact O-N 2.65Å; V603-F609 HydrophobicContact CG2-CB 4.31Å
604	K	77.1	Confident	80.2	Confident	107 Å²	107	85.3 Å²	85.3	47%	0.465	42%	0.422	S	S	.	.	H	α-helix	trans	-73.1	-20.3	175.6	-59.6	-69.2	-177.1	-173.7	0	113.1	W600 Y602 D617	W600-K604 HydrophobicContact CD2-CG 3.99Å; W600-K604 HydrophobicContact CE3-CG 4.25Å; W600-K604 HydrophobicContact CH2-CG 4.15Å; W600-K604 HydrophobicContact CZ2-CD 4.22Å; W600-K604 HydrophobicContact CZ2-CG 3.91Å; W600-K604 HydrophobicContact CZ3-CG 4.32Å; W600-K604 VanDerWaalsContact O-CG 3.29Å; W600-K604 WeakPolarHBondContact O-CG 3.43Å; W600-K604 PolarHBondContact O-N 3.45Å; Y602-K604 VanDerWaalsContact C-N 3.33Å; Y602-K604 PolarHBondContact O-N 3.32Å; K604-D617 IonicContact NZ-OD1 2.72Å; K604-D617 IonicContact NZ-OD2 3.93Å; K604-D617 PolarHBondContact NZ-OD2 3.46Å
605	Y	75.3	Confident	79.8	Confident	213 Å²	213	86.4 Å²	86.4	84%	0.835	43%	0.428	S	S	*	.	H	α-helix	trans	-93.1	-41.1	178.9	-178.7	-101.2	0	0	0	113.6	A601 Y602 V603	A601-Y605 VanDerWaalsContact O-CB 3.25Å; A601-Y605 WeakPolarHBondContact O-CB 3.43Å; A601-Y605 PolarHBondContact O-N 3.2Å; A601-Y605 VanDerWaalsContact O-N 3.08Å; Y602-Y605 PolarHBondContact O-N 2.94Å; V603-Y605 VanDerWaalsContact C-N 3.31Å; V603-Y605 PolarHBondContact O-N 2.93Å
606	S	76.9	Confident	79.4	Confident	47 Å²	47	81.7 Å²	81.7	33%	0.329	40%	0.403	S	S	.	.	H	α-helix	trans	-86.3	-28.3	178.6	66.9	0	0	0	0	113.3	Y602 E608	Y602-S606 PolarHBondContact O-N 3.4Å; Y602-S606 PolarHBondContact O-OG 3.23Å; Y602-S606 VanDerWaalsContact O-OG 3.11Å; S606-E608 PolarHBondContact O-N 2.85Å; S606-E608 PolarHBondContact OG-N 3.33Å
607	G	62.8	Low	79	Confident	38 Å²	38	81.4 Å²	81.4	39%	0.392	40%	0.402	S	S	.	.			trans	76.7	-4.4	-172.7	0	0	0	0	0	114.7	V603 R610	V603-G607 WeakPolarHBondContact O-CA 3.46Å; V603-G607 PolarHBondContact O-N 2.65Å; G607-R610 VanDerWaalsContact O-CG 3.22Å; G607-R610 WeakPolarHBondContact O-CG 3.37Å
608	E	65.9	Low	78.6	Confident	109 Å²	109	86 Å²	86	51%	0.509	42%	0.423	S	S	.	.			trans	-80.8	160.7	175.5	-61	-172	144.3	0	0	111.6	S606 R610	S606-E608 PolarHBondContact O-N 2.85Å; S606-E608 PolarHBondContact OG-N 3.33Å; E608-R610 VanDerWaalsContact C-N 3.33Å; E608-R610 PolarHBondContact O-N 2.94Å
609	F	75.1	Confident	78.2	Confident	149 Å²	149	86.8 Å²	86.8	65%	0.654	42%	0.422	S	S	*	.			trans	53.1	42.1	177.1	-56	-81.9	0	0	0	115	V603 E611 A612 G613	V603-F609 HydrophobicContact CG2-CB 4.31Å; F609-E611 PolarHBondContact O-N 2.92Å; F609-E611 VanDerWaalsContact O-N 3.08Å; F609-A612 HydrophobicContact CB-CB 4.5Å; F609-A612 WeakPolarHBondContact O-CB 3.43Å; F609-A612 PolarHBondContact O-N 3.37Å; F609-G613 PolarHBondContact O-N 3.11Å
610	R	68.3	Low	77.9	Confident	192 Å²	192	83.2 Å²	83.2	73%	0.725	40%	0.403	S	S	*	.	H	α-helix	trans	-53.5	-32	-177.6	-60.7	174.4	79.4	143.3	-1.3	113.6	G607 E608 G613 M614	G607-R610 VanDerWaalsContact O-CG 3.22Å; G607-R610 WeakPolarHBondContact O-CG 3.37Å; E608-R610 VanDerWaalsContact C-N 3.33Å; E608-R610 PolarHBondContact O-N 2.94Å; R610-G613 WeakPolarHBondContact O-CA 3.39Å; R610-G613 PolarHBondContact O-N 2.94Å; R610-M614 WeakPolarHBondContact O-CG 3.33Å; R610-M614 PolarHBondContact O-N 2.96Å
611	E	75.3	Confident	77.5	Confident	151 Å²	151	86.3 Å²	86.3	71%	0.706	42%	0.419	S	S	*	.	H	α-helix	trans	-59.3	-43.6	174.6	-64.3	178.9	174.4	0	0	112.9	F609 G613 M614 L615	F609-E611 PolarHBondContact O-N 2.92Å; F609-E611 VanDerWaalsContact O-N 3.08Å; E611-G613 VanDerWaalsContact C-N 3.29Å; E611-G613 PolarHBondContact O-N 3.42Å; E611-M614 HydrophobicContact CG-CE 4.24Å; E611-M614 PolarHBondContact O-N 3.48Å; E611-L615 WeakPolarHBondContact O-CG 3.18Å; E611-L615 PolarHBondContact O-N 2.95Å
612	A	77.6	Confident	77.3	Confident	35 Å²	35	86.3 Å²	86.3	29%	0.289	42%	0.419	S	S	.	.	H	α-helix	trans	-64.1	-36.9	175.4	0	0	0	0	0	111.3	F609 L615 I616	F609-A612 HydrophobicContact CB-CB 4.5Å; F609-A612 WeakPolarHBondContact O-CB 3.43Å; F609-A612 PolarHBondContact O-N 3.37Å; A612-L615 PolarHBondContact O-N 3.23Å; A612-I616 WeakPolarHBondContact O-CD1 3.29Å; A612-I616 VanDerWaalsContact O-CG1 3.25Å; A612-I616 WeakPolarHBondContact O-CG1 3.41Å; A612-I616 PolarHBondContact O-N 2.98Å; A612-I616 VanDerWaalsContact O-N 3.15Å
613	G	76.3	Confident	77	Confident	2 Å²	2	84.2 Å²	84.2	2%	0.021	42%	0.416	C	S	.	.	H	α-helix	trans	-60.3	-46.1	172	0	0	0	0	0	112.8	F609 R610 E611 I616 D617	F609-G613 PolarHBondContact O-N 3.11Å; R610-G613 WeakPolarHBondContact O-CA 3.39Å; R610-G613 PolarHBondContact O-N 2.94Å; E611-G613 VanDerWaalsContact C-N 3.29Å; E611-G613 PolarHBondContact O-N 3.42Å; G613-I616 PolarHBondContact O-N 3.4Å; G613-D617 PolarHBondContact O-N 3.39Å
614	M	76.3	Confident	76.7	Confident	109 Å²	109	88.7 Å²	88.7	54%	0.537	43%	0.432	S	S	.	.	H	α-helix	trans	-63.8	-40.2	178.5	-67.8	-171.5	-63.7	0	0	112.6	R610 E611 I616 D617 Q618	R610-M614 WeakPolarHBondContact O-CG 3.33Å; R610-M614 PolarHBondContact O-N 2.96Å; E611-M614 HydrophobicContact CG-CE 4.24Å; E611-M614 PolarHBondContact O-N 3.48Å; M614-I616 VanDerWaalsContact C-N 3.32Å; M614-I616 PolarHBondContact O-N 2.97Å; M614-D617 PolarHBondContact O-N 2.93Å; M614-Q618 WeakPolarHBondContact O-CB 3.26Å; M614-Q618 WeakPolarHBondContact O-CG 3.48Å; M614-Q618 PolarHBondContact O-N 3.32Å
615	L	82.4	Confident	76.7	Confident	114 Å²	114	89.3 Å²	89.3	60%	0.597	44%	0.436	S	S	*	.	H	α-helix	trans	-64.3	-36.1	175.7	-69.5	171.3	0	0	0	112.4	E611 A612 L619	E611-L615 WeakPolarHBondContact O-CG 3.18Å; E611-L615 PolarHBondContact O-N 2.95Å; A612-L615 PolarHBondContact O-N 3.23Å; L615-L619 WeakPolarHBondContact O-CB 3.47Å; L615-L619 PolarHBondContact O-N 3.4Å
616	I	83.6	Confident	76.3	Confident	13 Å²	13	84 Å²	84	7%	0.067	42%	0.419	C	S	.	.	H	α-helix	trans	-71.3	-42.6	175.2	-62.5	165.3	0	0	0	110.9	T556 L560 L596 I599 W600 A612 G613 M614 L619 A620	T556-I616 HydrophobicContact CG2-CG2 3.88Å; L560-I616 HydrophobicContact CD1-CG2 4.3Å; L596-I616 HydrophobicContact CD2-CD1 4.26Å; L596-I616 HydrophobicContact CD2-CG1 4.03Å; I599-I616 HydrophobicContact CB-CD1 4.15Å; I599-I616 HydrophobicContact CG2-CD1 3.74Å; W600-I616 HydrophobicContact CB-CD1 4.28Å; W600-I616 HydrophobicContact CB-CG2 4.2Å; W600-I616 HydrophobicContact CG-CG2 4.39Å; A612-I616 WeakPolarHBondContact O-CD1 3.29Å; A612-I616 VanDerWaalsContact O-CG1 3.25Å; A612-I616 WeakPolarHBondContact O-CG1 3.41Å; A612-I616 PolarHBondContact O-N 2.98Å; A612-I616 VanDerWaalsContact O-N 3.15Å; G613-I616 PolarHBondContact O-N 3.4Å; M614-I616 VanDerWaalsContact C-N 3.32Å; M614-I616 PolarHBondContact O-N 2.97Å; I616-L619 PolarHBondContact O-N 3.28Å; I616-A620 WeakPolarHBondContact O-CB 3.19Å; I616-A620 PolarHBondContact O-N 3.45Å
617	D	80.2	Confident	75.6	Confident	40 Å²	40	88.1 Å²	88.1	21%	0.214	43%	0.427	C	S	.	.	H	α-helix	trans	-60.7	-43.8	175.8	-73.5	-31.6	0	0	0	110.8	T556 W600 K604 G613 M614 A620 E621	T556-D617 VanDerWaalsContact CB-OD1 3.24Å; T556-D617 WeakPolarHBondContact CB-OD1 3.39Å; T556-D617 WeakPolarHBondContact CG2-OD1 3.42Å; T556-D617 PolarHBondContact OG1-OD1 3.47Å; W600-D617 PolarHBondContact NE1-OD1 2.92Å; K604-D617 IonicContact NZ-OD1 2.72Å; K604-D617 IonicContact NZ-OD2 3.93Å; K604-D617 PolarHBondContact NZ-OD2 3.46Å; G613-D617 PolarHBondContact O-N 3.39Å; M614-D617 PolarHBondContact O-N 2.93Å; D617-A620 PolarHBondContact O-N 3.29Å; D617-E621 WeakPolarHBondContact O-CB 3.49Å; D617-E621 PolarHBondContact O-N 3.4Å
618	Q	81.1	Confident	75.3	Confident	122 Å²	122	89.2 Å²	89.2	57%	0.57	43%	0.427	S	S	*	.	H	α-helix	trans	-63.7	-42.9	174.5	-75.6	176.7	-8.7	0	0	113.5	M614 A620 E621 A622	M614-Q618 WeakPolarHBondContact O-CB 3.26Å; M614-Q618 WeakPolarHBondContact O-CG 3.48Å; M614-Q618 PolarHBondContact O-N 3.32Å; Q618-A620 VanDerWaalsContact C-N 3.33Å; Q618-E621 PolarHBondContact O-N 2.91Å; Q618-A622 PolarHBondContact O-N 3Å
619	L	81.8	Confident	74.8	Confident	91 Å²	91	88.4 Å²	88.4	48%	0.476	43%	0.429	S	S	.	.	H	α-helix	trans	-67.4	-36.1	178.4	-176.8	137.6	0	0	0	111.6	L615 I616 L623	L615-L619 WeakPolarHBondContact O-CB 3.47Å; L615-L619 PolarHBondContact O-N 3.4Å; I616-L619 PolarHBondContact O-N 3.28Å; L619-L623 HydrophobicContact CD2-CD1 3.79Å; L619-L623 WeakPolarHBondContact O-CB 3.25Å; L619-L623 VanDerWaalsContact O-CG 3.29Å; L619-L623 WeakPolarHBondContact O-CG 3.28Å; L619-L623 PolarHBondContact O-N 3.42Å; L619-L623 VanDerWaalsContact O-N 3.15Å
620	A	80.8	Confident	73.8	Confident	2 Å²	2	88.9 Å²	88.9	2%	0.017	43%	0.427	C	S	.	.	H	α-helix	trans	-65.1	-39.4	171.2	0	0	0	0	0	112.6	T556 T559 I616 D617 Q618 L623 W624	T556-A620 HydrophobicContact CG2-CB 3.77Å; T559-A620 HydrophobicContact CG2-CB 4.32Å; T559-A620 VanDerWaalsContact OG1-CB 3.26Å; T559-A620 WeakPolarHBondContact OG1-CB 3.43Å; I616-A620 WeakPolarHBondContact O-CB 3.19Å; I616-A620 PolarHBondContact O-N 3.45Å; D617-A620 PolarHBondContact O-N 3.29Å; Q618-A620 VanDerWaalsContact C-N 3.33Å; A620-L623 PolarHBondContact O-N 3.08Å; A620-W624 WeakPolarHBondContact O-CB 3.33Å; A620-W624 PolarHBondContact O-N 3.03Å
621	E	80	Confident	72.9	Confident	97 Å²	97	86.6 Å²	86.6	45%	0.453	42%	0.422	S	S	.	.	H	α-helix	trans	-65.2	-48.5	176.6	-172.4	153.6	-117.1	0	0	111.7	D617 Q618 L623 W624 E625	D617-E621 WeakPolarHBondContact O-CB 3.49Å; D617-E621 PolarHBondContact O-N 3.4Å; Q618-E621 PolarHBondContact O-N 2.91Å; E621-L623 VanDerWaalsContact C-N 3.29Å; E621-L623 PolarHBondContact O-N 3.03Å; E621-W624 CarbonylContact O-C 3.6Å; E621-W624 WeakPolarHBondContact O-CA 3.29Å; E621-W624 WeakPolarHBondContact O-CB 3.36Å; E621-W624 PolarHBondContact O-N 3.4Å; E621-E625 HydrophobicContact CG-CG 4.48Å; E621-E625 PolarHBondContact O-N 3.42Å
622	A	78.6	Confident	71.6	Confident	50 Å²	50	84.3 Å²	84.3	41%	0.413	42%	0.418	S	S	.	.	H	α-helix	trans	-58.9	-38	175.6	0	0	0	0	0	112.9	Q618 Q626	Q618-A622 PolarHBondContact O-N 3Å; A622-Q626 WeakPolarHBondContact O-CB 3.41Å; A622-Q626 WeakPolarHBondContact O-CG 3.41Å; A622-Q626 PolarHBondContact O-N 3.08Å; A622-Q626 VanDerWaalsContact O-N 3.14Å
623	L	78.3	Confident	70.1	Confident	78 Å²	78	92.5 Å²	92.5	41%	0.408	44%	0.441	S	S	.	.	H	α-helix	trans	-69.7	-34.5	173.4	-73.8	171.5	0	0	0	112.7	L619 A620 E621 R627	L619-L623 HydrophobicContact CD2-CD1 3.79Å; L619-L623 WeakPolarHBondContact O-CB 3.25Å; L619-L623 VanDerWaalsContact O-CG 3.29Å; L619-L623 WeakPolarHBondContact O-CG 3.28Å; L619-L623 PolarHBondContact O-N 3.42Å; L619-L623 VanDerWaalsContact O-N 3.15Å; A620-L623 PolarHBondContact O-N 3.08Å; E621-L623 VanDerWaalsContact C-N 3.29Å; E621-L623 PolarHBondContact O-N 3.03Å; L623-R627 WeakPolarHBondContact O-CB 3.44Å; L623-R627 PolarHBondContact O-N 3.38Å
624	W	77	Confident	68.7	Low	104 Å²	104	101.3 Å²	101.3	39%	0.394	47%	0.474	S	S	.	.	H	α-helix	trans	-68.6	-51	175.8	-169.1	-107	0	0	0	111.3	T559 A620 E621 R627 T628	T559-W624 HydrophobicContact CG2-CB 4.21Å; T559-W624 HydrophobicContact CG2-CD2 4.18Å; T559-W624 HydrophobicContact CG2-CE3 3.53Å; T559-W624 HydrophobicContact CG2-CG 4.5Å; T559-W624 HydrophobicContact CG2-CZ3 4.18Å; A620-W624 WeakPolarHBondContact O-CB 3.33Å; A620-W624 PolarHBondContact O-N 3.03Å; E621-W624 CarbonylContact O-C 3.6Å; E621-W624 WeakPolarHBondContact O-CA 3.29Å; E621-W624 WeakPolarHBondContact O-CB 3.36Å; E621-W624 PolarHBondContact O-N 3.4Å; W624-R627 CarbonylContact O-C 3.52Å; W624-R627 WeakPolarHBondContact O-CA 3.41Å; W624-R627 VanDerWaalsContact O-CB 3.28Å; W624-R627 WeakPolarHBondContact O-CB 3.37Å; W624-R627 PolarHBondContact O-N 3.04Å; W624-T628 PolarHBondContact O-N 3.08Å; W624-T628 PolarHBondContact O-OG1 2.58Å; W624-T628 VanDerWaalsContact O-OG1 3.1Å
625	E	76.7	Confident	67.5	Low	120 Å²	120	100.2 Å²	100.2	56%	0.561	47%	0.469	S	S	*	.	H	α-helix	trans	-60.9	-46.2	-179.9	-70.5	-153.3	133.2	0	0	112.5	E621 R627 T628 V629	E621-E625 HydrophobicContact CG-CG 4.48Å; E621-E625 PolarHBondContact O-N 3.42Å; E625-R627 PolarHBondContact O-N 3.02Å; E625-R627 VanDerWaalsContact O-N 3.1Å; E625-T628 WeakPolarHBondContact CA-OG1 3.34Å; E625-T628 PolarHBondContact O-N 3.16Å; E625-T628 PolarHBondContact O-OG1 3.42Å; E625-V629 VanDerWaalsContact O-CB 3.31Å; E625-V629 WeakPolarHBondContact O-CB 3.47Å; E625-V629 VanDerWaalsContact O-CG2 3.3Å; E625-V629 WeakPolarHBondContact O-CG2 3.44Å; E625-V629 PolarHBondContact O-N 3.4Å
626	Q	67.9	Low	65.7	Low	100 Å²	100	96.6 Å²	96.6	47%	0.467	46%	0.46	S	S	.	.	H	α-helix	trans	-57.3	-29.6	173.6	-76.8	-167.1	35.1	0	0	112	A622 R630	A622-Q626 WeakPolarHBondContact O-CB 3.41Å; A622-Q626 WeakPolarHBondContact O-CG 3.41Å; A622-Q626 PolarHBondContact O-N 3.08Å; A622-Q626 VanDerWaalsContact O-N 3.14Å; Q626-R630 WeakPolarHBondContact O-CB 3.25Å; Q626-R630 VanDerWaalsContact O-CD 3.26Å; Q626-R630 WeakPolarHBondContact O-CD 3.48Å; Q626-R630 WeakPolarHBondContact O-CG 3.36Å; Q626-R630 PolarHBondContact O-N 3.28Å; Q626-R630 VanDerWaalsContact OE1-NH2 3.12Å
627	R	62.4	Low	63.9	Low	134 Å²	134	98.8 Å²	98.8	51%	0.506	48%	0.476	S	S	.	.	H	α-helix	trans	-81.8	-43.8	178.9	-158.7	180	-169.8	-157.8	6.6	112.4	L623 W624 E625 K631	L623-R627 WeakPolarHBondContact O-CB 3.44Å; L623-R627 PolarHBondContact O-N 3.38Å; W624-R627 CarbonylContact O-C 3.52Å; W624-R627 WeakPolarHBondContact O-CA 3.41Å; W624-R627 VanDerWaalsContact O-CB 3.28Å; W624-R627 WeakPolarHBondContact O-CB 3.37Å; W624-R627 PolarHBondContact O-N 3.04Å; E625-R627 PolarHBondContact O-N 3.02Å; E625-R627 VanDerWaalsContact O-N 3.1Å; R627-K631 VanDerWaalsContact O-CB 3.23Å; R627-K631 WeakPolarHBondContact O-CB 3.39Å; R627-K631 PolarHBondContact O-N 3.08Å
628	T	56	Low	62.1	Low	61 Å²	61	106.2 Å²	106.2	37%	0.374	50%	0.501	S	S	.	.	H	α-helix	trans	-65.8	-47.2	174.3	34.7	0	0	0	0	111.2	W624 E625 R630 K631 V632	W624-T628 PolarHBondContact O-N 3.08Å; W624-T628 PolarHBondContact O-OG1 2.58Å; W624-T628 VanDerWaalsContact O-OG1 3.1Å; E625-T628 WeakPolarHBondContact CA-OG1 3.34Å; E625-T628 PolarHBondContact O-N 3.16Å; E625-T628 PolarHBondContact O-OG1 3.42Å; T628-R630 PolarHBondContact O-N 2.85Å; T628-K631 CarbonylContact O-C 3.56Å; T628-K631 PolarHBondContact O-N 3.46Å; T628-V632 WeakPolarHBondContact O-CB 3.25Å; T628-V632 WeakPolarHBondContact O-CG2 3.47Å; T628-V632 PolarHBondContact O-N 3.29Å
629	V	54.4	Low	60.2	Low	93 Å²	93	108 Å²	108	56%	0.564	51%	0.507	S	S	*	.	H	α-helix	trans	-59.5	-44.4	176.9	174.2	0	0	0	0	111.3	E625 K631 R633	E625-V629 VanDerWaalsContact O-CB 3.31Å; E625-V629 WeakPolarHBondContact O-CB 3.47Å; E625-V629 VanDerWaalsContact O-CG2 3.3Å; E625-V629 WeakPolarHBondContact O-CG2 3.44Å; E625-V629 PolarHBondContact O-N 3.4Å; V629-K631 VanDerWaalsContact C-N 3.33Å; V629-K631 PolarHBondContact O-N 3.05Å; V629-R633 VanDerWaalsContact O-CB 3.23Å; V629-R633 WeakPolarHBondContact O-CB 3.44Å; V629-R633 PolarHBondContact O-N 3.39Å
630	R	54.4	Low	58	Low	159 Å²	159	108 Å²	108	60%	0.6	52%	0.515	S	S	*	.	H	α-helix	trans	-66.2	-31.6	174.4	-73	173.2	-175.7	161.8	8.1	112.8	Q626 T628 R634	Q626-R630 WeakPolarHBondContact O-CB 3.25Å; Q626-R630 VanDerWaalsContact O-CD 3.26Å; Q626-R630 WeakPolarHBondContact O-CD 3.48Å; Q626-R630 WeakPolarHBondContact O-CG 3.36Å; Q626-R630 PolarHBondContact O-N 3.28Å; Q626-R630 VanDerWaalsContact OE1-NH2 3.12Å; T628-R630 PolarHBondContact O-N 2.85Å; R630-R634 WeakPolarHBondContact O-CB 3.48Å; R630-R634 VanDerWaalsContact O-CG 3.31Å; R630-R634 WeakPolarHBondContact O-CG 3.35Å; R630-R634 PolarHBondContact O-N 3.3Å; R630-R634 VanDerWaalsContact O-N 3.11Å
631	K	49.5	Very low	56.1	Low	143 Å²	143	114 Å²	114	62%	0.622	55%	0.546	S	S	*	.	H	α-helix	trans	-75.5	-44.4	177.7	-161.9	179.1	-176.1	-171.1	0	111.6	R627 T628 V629 R634 I635	R627-K631 VanDerWaalsContact O-CB 3.23Å; R627-K631 WeakPolarHBondContact O-CB 3.39Å; R627-K631 PolarHBondContact O-N 3.08Å; T628-K631 CarbonylContact O-C 3.56Å; T628-K631 PolarHBondContact O-N 3.46Å; V629-K631 VanDerWaalsContact C-N 3.33Å; V629-K631 PolarHBondContact O-N 3.05Å; K631-R634 PolarHBondContact O-N 3.11Å; K631-I635 HydrophobicContact CG-CD1 4.04Å; K631-I635 WeakPolarHBondContact O-CB 3.33Å; K631-I635 VanDerWaalsContact O-CG1 3.27Å; K631-I635 WeakPolarHBondContact O-CG1 3.47Å; K631-I635 PolarHBondContact O-N 3.02Å
632	V	49	Very low	54.1	Low	103 Å²	103	118.4 Å²	118.4	62%	0.624	56%	0.564	S	S	*	*	H	α-helix	trans	-60.4	-47.3	172.8	171.8	0	0	0	0	110.3	T628 R634 I635 G636	T628-V632 WeakPolarHBondContact O-CB 3.25Å; T628-V632 WeakPolarHBondContact O-CG2 3.47Å; T628-V632 PolarHBondContact O-N 3.29Å; V632-R634 VanDerWaalsContact C-N 3.3Å; V632-R634 PolarHBondContact O-N 3.27Å; V632-I635 PolarHBondContact O-N 3.09Å; V632-I635 VanDerWaalsContact O-N 3.16Å; V632-G636 PolarHBondContact O-N 3.03Å
633	R	44.6	Very low	51.9	Low	207 Å²	207	127 Å²	127	78%	0.781	59%	0.585	S	S	*	*	H	α-helix	trans	-62.7	-34.2	177.3	-162.8	170.1	-176.2	172.2	0.8	112.7	V629 S637	V629-R633 VanDerWaalsContact O-CB 3.23Å; V629-R633 WeakPolarHBondContact O-CB 3.44Å; V629-R633 PolarHBondContact O-N 3.39Å; R633-S637 WeakPolarHBondContact O-CB 3.37Å; R633-S637 PolarHBondContact O-N 3.42Å; R633-S637 PolarHBondContact O-OG 3.17Å
634	R	48.2	Very low	49.7	Very low	187 Å²	187	131.2 Å²	131.2	71%	0.706	61%	0.608	S	S	*	*	H	α-helix	trans	-76.4	-28.5	173.1	-79.9	-178.8	176.5	-175.7	0.1	114.7	R630 K631 V632 S637 R638	R630-R634 WeakPolarHBondContact O-CB 3.48Å; R630-R634 VanDerWaalsContact O-CG 3.31Å; R630-R634 WeakPolarHBondContact O-CG 3.35Å; R630-R634 PolarHBondContact O-N 3.3Å; R630-R634 VanDerWaalsContact O-N 3.11Å; K631-R634 PolarHBondContact O-N 3.11Å; V632-R634 VanDerWaalsContact C-N 3.3Å; V632-R634 PolarHBondContact O-N 3.27Å; R634-S637 WeakPolarHBondContact CA-OG 3.39Å; R634-S637 PolarHBondContact O-OG 3.02Å; R634-R638 WeakPolarHBondContact O-CB 3.18Å; R634-R638 WeakPolarHBondContact O-CG 3.38Å; R634-R638 PolarHBondContact O-N 3.49Å
635	I	51.1	Low	47.6	Very low	86 Å²	86	132.5 Å²	132.5	44%	0.441	63%	0.629	S	S	.	*	H	α-helix	trans	-75.8	-47.3	174.5	-72.1	165.8	0	0	0	109	K631 V632 S637 R638 F639	K631-I635 HydrophobicContact CG-CD1 4.04Å; K631-I635 WeakPolarHBondContact O-CB 3.33Å; K631-I635 VanDerWaalsContact O-CG1 3.27Å; K631-I635 WeakPolarHBondContact O-CG1 3.47Å; K631-I635 PolarHBondContact O-N 3.02Å; V632-I635 PolarHBondContact O-N 3.09Å; V632-I635 VanDerWaalsContact O-N 3.16Å; I635-S637 PolarHBondContact O-N 2.94Å; I635-R638 PolarHBondContact O-N 3.44Å; I635-F639 HydrophobicContact CG2-CD2 3.98Å; I635-F639 HydrophobicContact CG2-CE2 4.11Å; I635-F639 PolarHBondContact O-N 3.26Å
636	G	45.2	Very low	45.5	Very low	38 Å²	38	130.8 Å²	130.8	39%	0.392	64%	0.636	S	S	.	*	H	α-helix	trans	-52.5	-51.9	170.5	0	0	0	0	0	111.6	V632 R638 F639 S640	V632-G636 PolarHBondContact O-N 3.03Å; G636-R638 PolarHBondContact O-N 3.42Å; G636-F639 PolarHBondContact O-N 3.1Å; G636-F639 VanDerWaalsContact O-N 3.14Å; G636-S640 PolarHBondContact O-N 3.43Å; G636-S640 PolarHBondContact O-OG 3.33Å
637	S	45.4	Very low	43.6	Very low	60 Å²	60	135.9 Å²	135.9	42%	0.42	66%	0.657	S	S	.	*	H	α-helix	trans	-67.5	-15	177.9	76.6	0	0	0	0	114.8	R633 R634 I635 I641	R633-S637 WeakPolarHBondContact O-CB 3.37Å; R633-S637 PolarHBondContact O-N 3.42Å; R633-S637 PolarHBondContact O-OG 3.17Å; R634-S637 WeakPolarHBondContact CA-OG 3.39Å; R634-S637 PolarHBondContact O-OG 3.02Å; I635-S637 PolarHBondContact O-N 2.94Å; S637-I641 WeakPolarHBondContact O-CD1 3.46Å; S637-I641 WeakPolarHBondContact O-CG1 3.28Å
638	R	42.5	Very low	42.1	Very low	196 Å²	196	138.6 Å²	138.6	74%	0.74	68%	0.675	S	S	*	*	H	α-helix	trans	-85.1	-38.2	170.2	-85.9	-177.4	166.9	-168.5	-5.5	111.8	R634 I635 G636 S640 I641	R634-R638 WeakPolarHBondContact O-CB 3.18Å; R634-R638 WeakPolarHBondContact O-CG 3.38Å; R634-R638 PolarHBondContact O-N 3.49Å; I635-R638 PolarHBondContact O-N 3.44Å; G636-R638 PolarHBondContact O-N 3.42Å; R638-S640 VanDerWaalsContact C-N 3.27Å; R638-S640 PolarHBondContact O-N 3.34Å; R638-I641 PolarHBondContact O-N 3.37Å
639	F	40.2	Very low	40.8	Very low	158 Å²	158	140.7 Å²	140.7	69%	0.693	69%	0.692	S	S	*	*	H	α-helix	trans	-65.2	-30.6	169	-87.3	-83.3	0	0	0	112.2	I635 G636 I641 F642	I635-F639 HydrophobicContact CG2-CD2 3.98Å; I635-F639 HydrophobicContact CG2-CE2 4.11Å; I635-F639 PolarHBondContact O-N 3.26Å; G636-F639 PolarHBondContact O-N 3.1Å; G636-F639 VanDerWaalsContact O-N 3.14Å; F639-I641 PolarHBondContact O-N 3.24Å; F639-I641 VanDerWaalsContact O-N 3.16Å; F639-F642 PolarHBondContact O-N 2.72Å
640	S	36.5	Very low	39.7	Very low	93 Å²	93	143.8 Å²	143.8	65%	0.65	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-18	171.3	-54.3	0	0	0	0	114.7	G636 R638	G636-S640 PolarHBondContact O-N 3.43Å; G636-S640 PolarHBondContact O-OG 3.33Å; R638-S640 VanDerWaalsContact C-N 3.27Å; R638-S640 PolarHBondContact O-N 3.34Å
641	I	40.7	Very low	38.7	Very low	128 Å²	128	141.6 Å²	141.6	66%	0.656	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-14.8	-178.7	-66.4	167.9	0	0	0	111.6	S637 R638 F639	S637-I641 WeakPolarHBondContact O-CD1 3.46Å; S637-I641 WeakPolarHBondContact O-CG1 3.28Å; R638-I641 PolarHBondContact O-N 3.37Å; F639-I641 PolarHBondContact O-N 3.24Å; F639-I641 VanDerWaalsContact O-N 3.16Å
642	F	37.4	Very low	37.9	Very low	188 Å²	188	140.6 Å²	140.6	83%	0.825	72%	0.719	S	S	*	*			trans	-108.2	62.1	172.1	-85.6	-85	0	0	0	111.9	F639	F639-F642 PolarHBondContact O-N 2.72Å
643	R	31.6	Very low	36.9	Very low	231 Å²	231	143 Å²	143	87%	0.872	73%	0.728	S	S	*	*			trans	-120.5	109.1	154.5	-88.6	-169.3	170.9	-170.7	-3	109.7
644	L	32.4	Very low	36.1	Very low	167 Å²	167	142.1 Å²	142.1	87%	0.874	73%	0.73	S	S	*	*			trans	-63	142.7	162.9	-77.7	160.1	0	0	0	109.2	A646	L644-A646 PolarHBondContact O-N 3.34Å
645	P	33.1	Very low	35.2	Very low	130 Å²	130	141.5 Å²	141.5	84%	0.844	74%	0.74	S	S	*	*			trans	-79.5	109.8	-179.7	30.8	-32.7	0	0	0	110.8
646	A	32.1	Very low	33.9	Very low	85 Å²	85	141.9 Å²	141.9	70%	0.702	75%	0.75	S	S	*	*			trans	-146	133	169.7	0	0	0	0	0	111.1	L644	L644-A646 PolarHBondContact O-N 3.34Å
647	F	28	Very low	33.1	Very low	206 Å²	206	149.2 Å²	149.2	90%	0.904	77%	0.772	S	S	*	*			trans	60.3	109.5	171.5	-77.9	-84.8	0	0	0	120.3
648	Q	31.6	Very low	32.2	Very low	191 Å²	191	151.1 Å²	151.1	89%	0.893	79%	0.785	S	S	*	*			trans	-82	137.2	153.4	-58.7	159.8	-85.8	0	0	110.3
649	S	29.6	Very low	31.4	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	79%	0.785	S	S	*	*			trans	178.6	145.8	148.7	50.8	0	0	0	0	106.8
650	I	31	Very low	30.8	Very low	158 Å²	158	144.4 Å²	144.4	81%	0.81	79%	0.788	S	S	*	*			cis	-154.4	166.5	-8.5	-117.2	162.7	0	0	0	105.5
651	P	32.4	Very low	30.3	Very low	114 Å²	114	144.7 Å²	144.7	74%	0.74	79%	0.79	S	S	*	*			trans	-74.3	166.2	-159.6	28.5	-38.1	0	0	0	116.8
652	P	32.7	Very low	29.5	Very low	122 Å²	122	147.3 Å²	147.3	79%	0.792	80%	0.796	S	S	*	*			trans	-92.4	147.6	-173.5	36.5	-34.4	0	0	0	114.1
653	D	28.5	Very low	29.1	Very low	152 Å²	152	146.7 Å²	146.7	81%	0.813	79%	0.794	S	S	*	*			trans	-148.6	157.5	162.8	-109.5	-42.8	0	0	0	109.7
654	F	27.3	Very low	29.2	Very low	189 Å²	189	148.3 Å²	148.3	83%	0.829	81%	0.808	S	S	*	*			trans	52.2	96.5	-179.5	-74	-90	0	0	0	117.8
655	L	29	Very low	29.1	Very low	175 Å²	175	147.4 Å²	147.4	92%	0.916	80%	0.804	S	S	*	*				-166.8	104.6	107.8	-102.5	168.4	0	0	0	110.4
656	S	25.3	Very low	28.9	Very low	93 Å²	93	148.3 Å²	148.3	65%	0.65	80%	0.802	S	S	*	*			trans	-132.3	159.1	171.8	59.1	0	0	0	0	109
657	F	27.7	Very low	28.7	Very low	193 Å²	193	151.8 Å²	151.8	85%	0.846	81%	0.808	S	S	*	*			trans	67.8	143.6	-174.3	-65.6	-89.1	0	0	0	115
658	S	27.3	Very low	28.7	Very low	100 Å²	100	148.6 Å²	148.6	70%	0.699	80%	0.802	S	S	*	*			cis	-152.7	155.5	-10	-165.7	0	0	0	0	111.1
659	S	25.5	Very low	28.5	Very low	106 Å²	106	145.9 Å²	145.9	74%	0.741	80%	0.796	S	S	*	*			trans	-126.3	144	160.7	-66.3	0	0	0	0	109.5
660	S	26.9	Very low	28.5	Very low	107 Å²	107	148.7 Å²	148.7	75%	0.748	80%	0.8	S	S	*	*			trans	71	120.7	172	-41.5	0	0	0	0	114.6
661	S	25.6	Very low	28.3	Very low	99 Å²	99	148 Å²	148	69%	0.692	80%	0.8	S	S	*	*				178.2	172.8	63.2	-60.8	0	0	0	0	112.3
662	F	25.2	Very low	28	Very low	182 Å²	182	150.6 Å²	150.6	80%	0.798	80%	0.804	S	S	*	*			trans	80.6	112.4	161.1	-75.6	-82	0	0	0	121.7
663	F	28.6	Very low	27.6	Very low	176 Å²	176	153 Å²	153	77%	0.772	81%	0.805	S	S	*	*			trans	32.1	112.8	131	-73.7	-109.4	0	0	0	119
664	F	34	Very low	27.5	Very low	264 Å²	264	153.1 Å²	153.1	100%	1.158	81%	0.805	S	S	*	*				-150.4	0	79.4	-131.2	-85.3	0	0	0	111.2

Retrieved 664 of 664 residues in 1293.1 ms (Link to these results)

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