A0A087XTH9_POEFO Loading...

Arylsulfatase H

AlphaFold DB , UniProt , Accession A0A087XTH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 617 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	34.7	Very low	257 Å²	257	174.5 Å²	174.5	100%	1.266	82%	0.824	S	S	*	*				0	124.4	0	-149.8	165.6	154.8	0	0	106.9
2	S	31.8	Very low	34.8	Very low	111 Å²	111	179.6 Å²	179.6	78%	0.776	83%	0.83	S	S	*	*			trans	-101.6	153.2	-151	-130.9	0	0	0	0	114.2
3	V	33.4	Very low	34.9	Very low	115 Å²	115	178 Å²	178	70%	0.697	82%	0.823	S	S	*	*			trans	98.5	114.9	134.8	167.2	0	0	0	0	122.3
4	K	34.2	Very low	34.9	Very low	181 Å²	181	176.9 Å²	176.9	79%	0.787	81%	0.814	S	S	*	*			trans	72.1	125.6	131.7	-70.9	178.4	-170.3	176.2	0	125.6
5	L	38.7	Very low	35.1	Very low	150 Å²	150	177.1 Å²	177.1	79%	0.785	82%	0.816	S	S	*	*			trans	7	146.4	131	-75.4	95.9	0	0	0	118.7
6	T	36.1	Very low	35.4	Very low	114 Å²	114	176 Å²	176	70%	0.699	82%	0.816	S	S	*	*				177.5	158.1	57.3	-15	0	0	0	0	113.1
7	R	33.7	Very low	35.8	Very low	241 Å²	241	169.5 Å²	169.5	91%	0.909	81%	0.808	S	S	*	*			trans	87.3	134	139	-88.2	178.9	-175.5	-154.6	1.8	126
8	R	39	Very low	36.5	Very low	233 Å²	233	167.8 Å²	167.8	88%	0.879	81%	0.81	S	S	*	*			trans	-54.1	156.5	169.9	-66.1	168.7	163.9	-178.6	-6	117.8
9	K	35.8	Very low	37	Very low	173 Å²	173	166.1 Å²	166.1	75%	0.752	80%	0.804	S	S	*	*				163	144	98.1	-115.1	-178.9	171.9	-168.7	0	115.4
10	F	33.5	Very low	37.2	Very low	161 Å²	161	166.5 Å²	166.5	71%	0.706	80%	0.798	S	S	*	*			trans	65.3	150.2	154.1	-83.9	-80.6	0	0	0	119.9
11	F	29.6	Very low	37.6	Very low	183 Å²	183	165.3 Å²	165.3	80%	0.803	80%	0.796	S	S	*	*			cis	-158.5	165.7	26	-145.6	-90.8	0	0	0	110.4
12	W	35.8	Very low	37.9	Very low	236 Å²	236	158.9 Å²	158.9	89%	0.894	78%	0.775	S	S	*	*			trans	-78.8	154.1	-176.5	-90	60.3	0	0	0	116
13	E	35.7	Very low	38.5	Very low	159 Å²	159	159.9 Å²	159.9	74%	0.743	77%	0.771	S	S	*	*			trans	152.1	147.4	149.2	-94.7	-168.3	145.9	0	0	109.2
14	K	35.4	Very low	39.1	Very low	162 Å²	162	159.1 Å²	159.1	70%	0.704	76%	0.763	S	S	*	*			cis	-173.8	167.4	-7.8	-133.2	174.8	-165.2	152.6	0	105.7
15	E	38	Very low	39.5	Very low	180 Å²	180	157.3 Å²	157.3	84%	0.841	76%	0.761	S	S	*	*			trans	84.6	91.1	158.9	-68.6	175.7	-172	0	0	120.4
16	I	39.2	Very low	39.8	Very low	160 Å²	160	160.2 Å²	160.2	82%	0.821	76%	0.761	S	S	*	*			trans	-112.4	106.2	150.8	-65.8	171.1	0	0	0	106.4
17	G	43.4	Very low	40.4	Very low	66 Å²	66	157.8 Å²	157.8	68%	0.68	75%	0.749	S	S	*	*			trans	-127	77.4	178.9	0	0	0	0	0	111.8
18	V	47.3	Very low	41.3	Very low	139 Å²	139	149.3 Å²	149.3	84%	0.842	73%	0.731	S	S	*	*	S	Bend	trans	-149.5	21.3	166.6	-159	0	0	0	0	113.2
19	I	46.7	Very low	42	Very low	135 Å²	135	145.7 Å²	145.7	69%	0.692	73%	0.725	S	S	*	*	S	Bend	trans	-136.4	43.2	177.4	-42.7	178.8	0	0	0	111.8
20	Y	40.1	Very low	42.8	Very low	173 Å²	173	142.1 Å²	142.1	68%	0.678	71%	0.714	S	S	*	*	S	Bend	trans	-115.7	-17.9	179.6	-85.5	-80.9	0	0	0	115.8	L24	Y20-L24 WeakPolarHBondContact O-CD1 3.4Å
21	D	46.5	Very low	44	Very low	142 Å²	142	137.4 Å²	137.4	76%	0.759	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-6.9	-168.8	-83.9	-20.1	0	0	0	117.3
22	C	42.7	Very low	45.4	Very low	123 Å²	123	132.3 Å²	132.3	83%	0.831	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	-9.5	177.2	-137.7	0	0	0	0	113.9
23	L	43.6	Very low	46.7	Very low	131 Å²	131	125.9 Å²	125.9	69%	0.686	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-15.1	177.7	-98.2	138.3	0	0	0	113.4	S27	L23-S27 PolarHBondContact O-OG 3.5Å
24	L	46.1	Very low	48	Very low	100 Å²	100	123.1 Å²	123.1	52%	0.524	66%	0.662	S	S	.	*	H	α-helix	trans	-82.9	-20.7	-179.4	-83	162.3	0	0	0	114.4	Y20 S27	Y20-L24 WeakPolarHBondContact O-CD1 3.4Å; L24-S27 PolarHBondContact O-OG 3.48Å
25	L	43.4	Very low	49.3	Very low	142 Å²	142	120.4 Å²	120.4	74%	0.743	66%	0.655	S	S	*	*	H	α-helix	trans	-86.5	-17.7	179.1	-98	108.6	0	0	0	114.8
26	R	44.7	Very low	50.5	Low	211 Å²	211	114.6 Å²	114.6	80%	0.796	64%	0.635	S	S	*	*	H	α-helix	trans	-86.8	-24.8	172.6	-76.4	-172.2	175.5	-146.2	-0.2	113	L30	R26-L30 WeakPolarHBondContact O-CD1 3.15Å
27	S	49	Very low	51.4	Low	64 Å²	64	112.2 Å²	112.2	45%	0.448	62%	0.623	S	S	.	*	H	α-helix	trans	-80.9	-27.1	177.6	57.7	0	0	0	0	113.5	L23 L24 M29 L30 A31	L23-S27 PolarHBondContact O-OG 3.5Å; L24-S27 PolarHBondContact O-OG 3.48Å; S27-M29 VanDerWaalsContact C-N 3.32Å; S27-M29 PolarHBondContact O-N 3.4Å; S27-L30 PolarHBondContact O-N 3.3Å; S27-A31 PolarHBondContact O-N 3.22Å
28	A	52.8	Low	52.1	Low	63 Å²	63	114.4 Å²	114.4	52%	0.521	62%	0.618	S	S	.	*	H	α-helix	trans	-72.4	-19.3	-179	0	0	0	0	0	114.7	P32	A28-P32 WeakPolarHBondContact O-CD 3.5Å; A28-P32 VanDerWaalsContact O-CG 3.24Å; A28-P32 WeakPolarHBondContact O-CG 3.44Å
29	M	52.6	Low	52.5	Low	156 Å²	156	113.2 Å²	113.2	77%	0.768	61%	0.607	S	S	*	*	H	α-helix	trans	-99.9	-18.5	177	-75.4	-89.9	160.1	0	0	113.2	S27 L33	S27-M29 VanDerWaalsContact C-N 3.32Å; S27-M29 PolarHBondContact O-N 3.4Å; M29-L33 WeakPolarHBondContact O-CB 3.18Å
30	L	53.3	Low	52.7	Low	98 Å²	98	110 Å²	110	51%	0.513	60%	0.6	S	S	.	*	H	α-helix	trans	-83.9	-35.1	176.9	-84.1	161.6	0	0	0	112.3	R26 S27 L33 L34	R26-L30 WeakPolarHBondContact O-CD1 3.15Å; S27-L30 PolarHBondContact O-N 3.3Å; L30-L33 PolarHBondContact O-N 2.84Å; L30-L34 WeakPolarHBondContact O-CB 3.38Å; L30-L34 PolarHBondContact O-N 3.38Å
31	A	58.3	Low	53.1	Low	62 Å²	62	105.9 Å²	105.9	51%	0.512	60%	0.597	S	S	.	*	H	α-helix	trans	-64.7	-42.8	179.1	0	0	0	0	0	114.3	S27 L33 L35	S27-A31 PolarHBondContact O-N 3.22Å; A31-L33 VanDerWaalsContact C-N 3.33Å; A31-L35 WeakPolarHBondContact O-CB 3.24Å; A31-L35 PolarHBondContact O-N 2.92Å
32	P	59.3	Low	52.9	Low	76 Å²	76	102 Å²	102	49%	0.494	59%	0.59	S	S	.	*	H	α-helix	trans	-71.1	-30.9	175.4	-5.7	20	0	0	0	111.8	A28 S36	A28-P32 WeakPolarHBondContact O-CD 3.5Å; A28-P32 VanDerWaalsContact O-CG 3.24Å; A28-P32 WeakPolarHBondContact O-CG 3.44Å; P32-S36 WeakPolarHBondContact O-CB 3.4Å; P32-S36 PolarHBondContact O-N 2.74Å; P32-S36 PolarHBondContact O-OG 3.3Å
33	L	63.1	Low	52.9	Low	101 Å²	101	100 Å²	100	53%	0.529	58%	0.578	S	S	.	*	H	α-helix	trans	-71.9	-45.1	178.2	-155.2	83.3	0	0	0	111.2	M29 L30 A31 S36 L37	M29-L33 WeakPolarHBondContact O-CB 3.18Å; L30-L33 PolarHBondContact O-N 2.84Å; A31-L33 VanDerWaalsContact C-N 3.33Å; L33-S36 WeakPolarHBondContact CA-OG 3.4Å; L33-S36 PolarHBondContact O-N 3.2Å; L33-S36 PolarHBondContact O-OG 2.8Å; L33-L37 HydrophobicContact CG-CD1 4.43Å; L33-L37 WeakPolarHBondContact O-CB 3.21Å; L33-L37 PolarHBondContact O-N 2.85Å
34	L	62.5	Low	52.9	Low	101 Å²	101	99.6 Å²	99.6	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-64.7	-38.7	172.3	-94	141.5	0	0	0	111.9	L30 L37 L38	L30-L34 WeakPolarHBondContact O-CB 3.38Å; L30-L34 PolarHBondContact O-N 3.38Å; L34-L37 PolarHBondContact O-N 3.37Å; L34-L38 VanDerWaalsContact O-CB 3.26Å; L34-L38 WeakPolarHBondContact O-CB 3.12Å; L34-L38 WeakPolarHBondContact O-CD1 3.34Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.37Å
35	L	63.5	Low	52.6	Low	105 Å²	105	101.4 Å²	101.4	55%	0.55	59%	0.591	S	S	.	*	H	α-helix	trans	-69	-35.7	174.6	-164.1	69.6	0	0	0	111.5	A31 L38 L39	A31-L35 WeakPolarHBondContact O-CB 3.24Å; A31-L35 PolarHBondContact O-N 2.92Å; L35-L38 PolarHBondContact O-N 3.08Å; L35-L39 HydrophobicContact CG-CD1 4.03Å; L35-L39 VanDerWaalsContact O-CB 3.24Å; L35-L39 WeakPolarHBondContact O-CB 3.26Å; L35-L39 WeakPolarHBondContact O-CD1 3.43Å; L35-L39 WeakPolarHBondContact O-CG 3.26Å; L35-L39 PolarHBondContact O-N 3.44Å
36	S	61.5	Low	52.4	Low	59 Å²	59	102.4 Å²	102.4	41%	0.413	59%	0.59	S	S	.	*	H	α-helix	trans	-70.3	-33.3	172.9	71.5	0	0	0	0	112.9	P32 L33 A40	P32-S36 WeakPolarHBondContact O-CB 3.4Å; P32-S36 PolarHBondContact O-N 2.74Å; P32-S36 PolarHBondContact O-OG 3.3Å; L33-S36 WeakPolarHBondContact CA-OG 3.4Å; L33-S36 PolarHBondContact O-N 3.2Å; L33-S36 PolarHBondContact O-OG 2.8Å; S36-A40 WeakPolarHBondContact O-CB 3.33Å; S36-A40 PolarHBondContact O-N 3.1Å
37	L	58.3	Low	52	Low	110 Å²	110	94.5 Å²	94.5	58%	0.576	57%	0.574	S	S	*	*	H	α-helix	trans	-72.5	-35.3	172.1	-90.4	147.2	0	0	0	111.9	L33 L34 S41	L33-L37 HydrophobicContact CG-CD1 4.43Å; L33-L37 WeakPolarHBondContact O-CB 3.21Å; L33-L37 PolarHBondContact O-N 2.85Å; L34-L37 PolarHBondContact O-N 3.37Å; L37-S41 WeakPolarHBondContact O-CB 3.15Å; L37-S41 PolarHBondContact O-N 2.97Å; L37-S41 PolarHBondContact O-OG 2.81Å
38	L	58.1	Low	51.5	Low	111 Å²	111	100.3 Å²	100.3	58%	0.581	59%	0.594	S	S	*	*	H	α-helix	trans	-71.8	-33.2	172.1	-81.1	157	0	0	0	112.7	L34 L35 S41 G42	L34-L38 VanDerWaalsContact O-CB 3.26Å; L34-L38 WeakPolarHBondContact O-CB 3.12Å; L34-L38 WeakPolarHBondContact O-CD1 3.34Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.37Å; L35-L38 PolarHBondContact O-N 3.08Å; L38-S41 VanDerWaalsContact CA-OG 3.26Å; L38-S41 WeakPolarHBondContact CA-OG 3.24Å; L38-S41 PolarHBondContact O-OG 3.02Å; L38-G42 PolarHBondContact O-N 2.8Å
39	L	55.6	Low	51.1	Low	115 Å²	115	103.7 Å²	103.7	60%	0.602	61%	0.608	S	S	*	*	H	α-helix	trans	-80.1	-29.1	173.5	-71.5	165.1	0	0	0	112.3	L35 G42 S43	L35-L39 HydrophobicContact CG-CD1 4.03Å; L35-L39 VanDerWaalsContact O-CB 3.24Å; L35-L39 WeakPolarHBondContact O-CB 3.26Å; L35-L39 WeakPolarHBondContact O-CD1 3.43Å; L35-L39 WeakPolarHBondContact O-CG 3.26Å; L35-L39 PolarHBondContact O-N 3.44Å; L39-G42 CarbonylContact O-C 3.5Å; L39-G42 PolarHBondContact O-N 2.82Å; L39-S43 PolarHBondContact O-N 2.97Å; L39-S43 VanDerWaalsContact O-N 3.08Å; L39-S43 PolarHBondContact O-OG 2.64Å
40	A	51.5	Low	50.7	Low	66 Å²	66	102.7 Å²	102.7	55%	0.545	60%	0.601	S	S	.	*	H	α-helix	trans	-73.8	-26.5	169.9	0	0	0	0	0	112.5	S36	S36-A40 WeakPolarHBondContact O-CB 3.33Å; S36-A40 PolarHBondContact O-N 3.1Å
41	S	47.8	Very low	50.9	Low	87 Å²	87	103.2 Å²	103.2	61%	0.608	61%	0.605	S	S	*	*	H	α-helix	trans	-86.9	-12.8	169.4	44.1	0	0	0	0	113.6	L37 L38	L37-S41 WeakPolarHBondContact O-CB 3.15Å; L37-S41 PolarHBondContact O-N 2.97Å; L37-S41 PolarHBondContact O-OG 2.81Å; L38-S41 VanDerWaalsContact CA-OG 3.26Å; L38-S41 WeakPolarHBondContact CA-OG 3.24Å; L38-S41 PolarHBondContact O-OG 3.02Å
42	G	43.3	Very low	51.9	Low	61 Å²	61	106.4 Å²	106.4	63%	0.629	61%	0.607	S	S	*	*	S	Bend	trans	-95.3	3.8	168.7	0	0	0	0	0	114	L38 L39 D44	L38-G42 PolarHBondContact O-N 2.8Å; L39-G42 CarbonylContact O-C 3.5Å; L39-G42 PolarHBondContact O-N 2.82Å; G42-D44 PolarHBondContact O-N 3.22Å; G42-D44 VanDerWaalsContact O-N 3.1Å
43	S	41.8	Very low	53.5	Low	81 Å²	81	107.6 Å²	107.6	57%	0.566	60%	0.601	S	S	*	*	S	Bend	trans	-72.3	102.7	169.6	-63.9	0	0	0	0	107.5	L39 V45	L39-S43 PolarHBondContact O-N 2.97Å; L39-S43 VanDerWaalsContact O-N 3.08Å; L39-S43 PolarHBondContact O-OG 2.64Å; S43-V45 PolarHBondContact O-N 2.82Å; S43-V45 VanDerWaalsContact O-N 3.12Å
44	D	43.7	Very low	55.1	Low	123 Å²	123	103.1 Å²	103.1	66%	0.658	58%	0.578	S	S	*	*			trans	14	90.1	162.3	-85.7	-31.1	0	0	0	113.4	G42 K46	G42-D44 PolarHBondContact O-N 3.22Å; G42-D44 VanDerWaalsContact O-N 3.1Å; D44-K46 HydrophobicContact CB-CB 4.45Å; D44-K46 HydrophobicContact CB-CG 4.19Å; D44-K46 PolarHBondContact O-N 3.12Å
45	V	40.2	Very low	56.9	Low	138 Å²	138	98.6 Å²	98.6	84%	0.836	56%	0.555	S	S	*	*			trans	-68.6	66	139.8	-172.2	0	0	0	0	105.8	S43 G47	S43-V45 PolarHBondContact O-N 2.82Å; S43-V45 VanDerWaalsContact O-N 3.12Å; V45-G47 PolarHBondContact O-N 2.91Å
46	K	40	Very low	58.5	Low	163 Å²	163	93.6 Å²	93.6	71%	0.709	53%	0.528	S	S	*	.			trans	-62.1	84	131.4	-75.4	179.3	-176	173	0	102.6	D44 E48	D44-K46 HydrophobicContact CB-CB 4.45Å; D44-K46 HydrophobicContact CB-CG 4.19Å; D44-K46 PolarHBondContact O-N 3.12Å; K46-E48 PolarHBondContact O-N 2.78Å
47	G	35.8	Very low	60.3	Low	45 Å²	45	90.8 Å²	90.8	46%	0.464	51%	0.509	S	S	.	.			trans	-49.3	111.1	151.9	0	0	0	0	0	102.6	V45 V49	V45-G47 PolarHBondContact O-N 2.91Å; G47-V49 PolarHBondContact O-N 2.85Å
48	E	38	Very low	62.3	Low	186 Å²	186	85.5 Å²	85.5	87%	0.869	48%	0.481	S	S	*	.			trans	-47	107.2	150.7	-77.6	-174.6	148.8	0	0	102.4	K46 E50	K46-E48 PolarHBondContact O-N 2.78Å; E48-E50 PolarHBondContact O-N 2.9Å
49	V	44.1	Very low	64.2	Low	133 Å²	133	80.3 Å²	80.3	81%	0.806	45%	0.454	S	S	*	.			trans	-61.7	89.6	162.2	177.3	0	0	0	0	100.8	G47 D51	G47-V49 PolarHBondContact O-N 2.85Å; V49-D51 PolarHBondContact O-N 2.68Å
50	E	44.5	Very low	66.3	Low	135 Å²	135	74.9 Å²	74.9	63%	0.631	43%	0.426	S	S	*	.			trans	-43.2	114.6	166.4	-171.2	-177.7	-156.4	0	0	102.7	E48 K52	E48-E50 PolarHBondContact O-N 2.9Å; E50-K52 HydrophobicContact CB-CG 4.29Å; E50-K52 HydrophobicContact CG-CG 4.26Å; E50-K52 WeakPolarHBondContact O-CG 3.37Å; E50-K52 PolarHBondContact O-N 2.64Å; E50-K52 WeakPolarHBondContact OE2-CE 2.89Å; E50-K52 IonicContact OE2-NZ 3.11Å
51	D	58.7	Low	68.5	Low	110 Å²	110	71.7 Å²	71.7	59%	0.588	40%	0.4	S	S	*	.			trans	-71.5	68.5	-171.3	-170.8	8.5	0	0	0	107.2	V49 R53 K440	V49-D51 PolarHBondContact O-N 2.68Å; D51-R53 PolarHBondContact O-N 2.61Å; D51-K440 WeakPolarHBondContact OD2-CE 3.44Å; D51-K440 IonicContact OD2-NZ 3.76Å; D51-K440 PolarHBondContact OD2-NZ 3.21Å
52	K	79.4	Confident	70.7	Confident	129 Å²	129	67.6 Å²	67.6	56%	0.561	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-64.5	121.9	-175.1	-79.3	-174.2	-178.6	-176.3	0	104.4	E50 N361	E50-K52 HydrophobicContact CB-CG 4.29Å; E50-K52 HydrophobicContact CG-CG 4.26Å; E50-K52 WeakPolarHBondContact O-CG 3.37Å; E50-K52 PolarHBondContact O-N 2.64Å; E50-K52 WeakPolarHBondContact OE2-CE 2.89Å; E50-K52 IonicContact OE2-NZ 3.11Å; K52-N361 PolarHBondContact O-OD1 3.24Å
53	R	92.4	Very high	73.2	Confident	100 Å²	100	64.9 Å²	64.9	38%	0.377	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-50.9	130.1	174.9	-66.5	-173.2	-64.6	178.4	6.5	108.4	D51 Q152 P306 N361	D51-R53 PolarHBondContact O-N 2.61Å; R53-Q152 PolarHBondContact NH1-O 2.88Å; R53-P306 HydrophobicContact CB-CB 4.14Å; R53-N361 PolarHBondContact O-ND2 3.38Å; R53-N361 VanDerWaalsContact O-ND2 3.07Å
54	P	97.2	Very high	75.9	Confident	7 Å²	7	61 Å²	61	5%	0.045	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-69.1	162	-175.3	29.7	-36.4	0	0	0	110.8	F56 Y154 N361 W412 L438	P54-F56 HydrophobicContact CG-CE1 3.85Å; P54-F56 HydrophobicContact CG-CZ 3.75Å; P54-Y154 WeakPolarHBondContact O-CE1 2.96Å; P54-Y154 PolarHBondContact O-OH 2.77Å; P54-N361 CarbonylContact C-O 3.42Å; P54-N361 VanDerWaalsContact CA-O 3.31Å; P54-N361 WeakPolarHBondContact CA-O 3.49Å; P54-N361 WeakPolarHBondContact CA-OD1 3.18Å; P54-W412 HydrophobicContact CB-CH2 3.65Å; P54-W412 HydrophobicContact CB-CZ2 3.66Å; P54-W412 HydrophobicContact CG-CH2 3.84Å; P54-W412 HydrophobicContact CG-CZ2 4.32Å; P54-L438 HydrophobicContact CG-CB 4.35Å
55	N	98.7	Very high	78.4	Confident	6 Å²	6	55.1 Å²	55.1	3%	0.032	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	152.7	162.1	-60	-48	0	0	0	109.7	R305 P306 F307 N361 T362 F363	N55-R305 PolarHBondContact OD1-O 3.43Å; N55-P306 WeakPolarHBondContact OD1-CA 3.31Å; N55-F307 WeakPolarHBondContact CA-O 3.24Å; N55-F307 HydrophobicContact CB-CD1 4.13Å; N55-F307 HydrophobicContact CB-CD2 4.3Å; N55-F307 HydrophobicContact CB-CE1 3.77Å; N55-F307 HydrophobicContact CB-CE2 3.94Å; N55-F307 HydrophobicContact CB-CG 4.39Å; N55-F307 HydrophobicContact CB-CZ 3.66Å; N55-F307 VanDerWaalsContact OD1-CD1 3.25Å; N55-F307 WeakPolarHBondContact OD1-CD1 3.33Å; N55-F307 WeakPolarHBondContact OD1-CE1 3.19Å; N55-F307 PolarHBondContact OD1-N 3.12Å; N55-N361 PolarHBondContact N-O 3.14Å; N55-T362 HydrophobicContact CB-CG2 3.96Å; N55-T362 CarbonylContact O-C 3.49Å; N55-T362 WeakPolarHBondContact O-CA 3.32Å; N55-F363 PolarHBondContact O-N 3.44Å
56	F	98.9	Very high	81.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.5	175.7	-57.1	-64.1	0	0	0	110.1	P54 L149 Y154 F307 L308 L309 F363 L435 L438	P54-F56 HydrophobicContact CG-CE1 3.85Å; P54-F56 HydrophobicContact CG-CZ 3.75Å; F56-L149 HydrophobicContact CD2-CD1 3.66Å; F56-L149 HydrophobicContact CD2-CD2 4.17Å; F56-L149 HydrophobicContact CE2-CD1 3.91Å; F56-L149 HydrophobicContact CE2-CD2 3.58Å; F56-L149 HydrophobicContact CE2-CG 4.41Å; F56-L149 HydrophobicContact CZ-CD2 4.43Å; F56-Y154 AromaticContact CD2-CD1 3.98Å; F56-Y154 HydrophobicContact CD2-CD1 3.98Å; F56-Y154 AromaticContact CD2-CE1 3.51Å; F56-Y154 HydrophobicContact CD2-CE1 3.51Å; F56-Y154 HydrophobicContact CE2-CD1 4.06Å; F56-Y154 AromaticContact CE2-CE1 3.24Å; F56-Y154 HydrophobicContact CE2-CE1 3.24Å; F56-Y154 HydrophobicContact CE2-CE2 4.44Å; F56-Y154 AromaticContact CE2-CZ 3.48Å; F56-Y154 VanDerWaalsContact CE2-CZ 3.48Å; F56-Y154 WeakPolarHBondContact CE2-OH 3.06Å; F56-Y154 HydrophobicContact CZ-CE1 4.3Å; F56-F307 PolarHBondContact N-O 2.84Å; F56-L308 HydrophobicContact CB-CB 4.46Å; F56-L308 HydrophobicContact CB-CD1 3.62Å; F56-L308 HydrophobicContact CG-CD1 4.47Å; F56-L308 CarbonylContact O-C 3.58Å; F56-L308 WeakPolarHBondContact O-CA 3.31Å; F56-L309 PolarHBondContact O-N 2.71Å; F56-F363 WeakPolarHBondContact CA-O 3.49Å; F56-F363 HydrophobicContact CD1-CB 3.87Å; F56-F363 AromaticContact CD1-CD1 3.91Å; F56-F363 HydrophobicContact CD1-CD1 3.91Å; F56-F363 HydrophobicContact CD1-CG 4.25Å; F56-F363 HydrophobicContact CE1-CB 4.2Å; F56-F363 HydrophobicContact CE1-CD1 4.42Å; F56-L435 HydrophobicContact CB-CD2 4.27Å; F56-L435 HydrophobicContact CD1-CD2 3.23Å; F56-L435 HydrophobicContact CD2-CD2 4.16Å; F56-L435 HydrophobicContact CE1-CD2 3.44Å; F56-L435 VanDerWaalsContact CE1-CD2 3.44Å; F56-L435 HydrophobicContact CE2-CD2 4.29Å; F56-L435 HydrophobicContact CG-CD2 3.63Å; F56-L435 HydrophobicContact CZ-CD2 3.97Å; F56-L438 HydrophobicContact CE1-CB 3.88Å; F56-L438 HydrophobicContact CE1-CD1 3.76Å; F56-L438 HydrophobicContact CE1-CG 4.49Å; F56-L438 HydrophobicContact CZ-CB 3.72Å; F56-L438 HydrophobicContact CZ-CD1 4.46Å
57	V	98.9	Very high	83.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	102.9	172.1	176.8	0	0	0	0	108.1	M59 F307 L309 I349 V353 T362 F363 M364 H365	V57-M59 HydrophobicContact CG1-CE 4.48Å; V57-M59 HydrophobicContact CG1-CG 4.1Å; V57-M59 HydrophobicContact CG1-SD 4.19Å; V57-F307 HydrophobicContact CG2-CE2 3.84Å; V57-F307 HydrophobicContact CG2-CZ 4.43Å; V57-L309 WeakPolarHBondContact CA-O 3.49Å; V57-L309 HydrophobicContact CG1-CD2 4.44Å; V57-I349 HydrophobicContact CG1-CG2 3.79Å; V57-V353 HydrophobicContact CG2-CG2 4.34Å; V57-T362 HydrophobicContact CB-CG2 4.33Å; V57-T362 HydrophobicContact CG2-CG2 3.76Å; V57-F363 PolarHBondContact N-O 3.28Å; V57-M364 HydrophobicContact CB-CG 4.21Å; V57-M364 CarbonylContact O-C 3.42Å; V57-M364 VanDerWaalsContact O-CA 3.25Å; V57-M364 WeakPolarHBondContact O-CA 3.34Å; V57-H365 PolarHBondContact O-N 3.32Å
58	L	98.9	Very high	86.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	115	-175.5	-50.5	179.2	0	0	0	108.1	F145 L308 L309 F310 F311 F363 H365 L431 L435	L58-F145 HydrophobicContact CD1-CD2 4.37Å; L58-F145 HydrophobicContact CD1-CE2 3.65Å; L58-F145 HydrophobicContact CD1-CZ 3.83Å; L58-L308 HydrophobicContact CD1-CD1 3.57Å; L58-L308 HydrophobicContact CG-CD1 3.98Å; L58-L309 PolarHBondContact N-O 2.91Å; L58-F310 HydrophobicContact CB-CD2 3.78Å; L58-F310 CarbonylContact O-C 3.59Å; L58-F310 WeakPolarHBondContact O-CA 3.23Å; L58-F311 PolarHBondContact O-N 2.63Å; L58-F363 HydrophobicContact CD2-CD1 4.48Å; L58-H365 HydrophobicContact CD2-CB 3.82Å; L58-L431 HydrophobicContact CD1-CD2 3.96Å; L58-L431 HydrophobicContact CD2-CD1 4.11Å; L58-L431 HydrophobicContact CD2-CD2 4.17Å; L58-L435 HydrophobicContact CD1-CD1 3.78Å; L58-L435 HydrophobicContact CD2-CD2 4.44Å
59	M	98.8	Very high	89.6	Confident	1 Å²	1	30 Å²	30	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.2	-176.6	-62.6	168.6	-66.7	0	0	108.8	V57 L85 F311 I346 I349 M364 H365 F366 T367	V57-M59 HydrophobicContact CG1-CE 4.48Å; V57-M59 HydrophobicContact CG1-CG 4.1Å; V57-M59 HydrophobicContact CG1-SD 4.19Å; M59-L85 HydrophobicContact CE-CD1 4.48Å; M59-L85 HydrophobicContact CE-CD2 4.17Å; M59-F311 WeakPolarHBondContact CA-O 3.17Å; M59-F311 HydrophobicContact CG-CB 4.38Å; M59-I346 HydrophobicContact CB-CD1 3.88Å; M59-I346 HydrophobicContact CE-CG2 4.43Å; M59-I346 HydrophobicContact CG-CD1 4.04Å; M59-I346 HydrophobicContact SD-CD1 3.5Å; M59-I346 VanDerWaalsContact SD-CD1 3.5Å; M59-I346 HydrophobicContact SD-CG2 4.21Å; M59-I349 HydrophobicContact SD-CB 4.32Å; M59-I349 HydrophobicContact SD-CG2 3.96Å; M59-M364 HydrophobicContact CE-CB 4.37Å; M59-H365 WeakPolarHBondContact CB-O 3.37Å; M59-H365 PolarHBondContact N-O 2.81Å; M59-F366 HydrophobicContact CB-CD2 4.22Å; M59-F366 HydrophobicContact CE-CB 4.4Å; M59-F366 WeakPolarHBondContact O-CA 3.4Å; M59-T367 PolarHBondContact O-N 2.57Å
60	M	98.8	Very high	92.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.4	179.8	174.4	171.6	-87.4	0	0	109.7	R106 L109 F310 F311 S312 L313 T367 D369 L428	M60-R106 HydrophobicContact SD-CG 4.14Å; M60-L109 HydrophobicContact CE-CD1 3.95Å; M60-L109 HydrophobicContact CE-CD2 3.52Å; M60-L109 HydrophobicContact CE-CG 4.23Å; M60-L109 HydrophobicContact SD-CD2 4.15Å; M60-F310 HydrophobicContact CB-CE2 3.77Å; M60-F310 HydrophobicContact CB-CZ 4.11Å; M60-F310 HydrophobicContact SD-CE2 4.31Å; M60-F310 HydrophobicContact SD-CZ 3.87Å; M60-F311 PolarHBondContact N-O 2.69Å; M60-S312 CarbonylContact O-C 3.53Å; M60-L313 PolarHBondContact O-N 3.09Å; M60-T367 WeakPolarHBondContact CA-O 3.3Å; M60-T367 HydrophobicContact CB-CG2 4.24Å; M60-T367 HydrophobicContact CE-CG2 3.63Å; M60-T367 HydrophobicContact CG-CG2 4.32Å; M60-D369 HydrophobicContact CE-CB 4.03Å; M60-D369 HydrophobicContact CG-CB 4.39Å; M60-D369 HydrophobicContact SD-CB 3.76Å; M60-L428 HydrophobicContact CE-CD1 4.46Å
61	V	97.9	Very high	94.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.3	175	-169.7	0	0	0	0	108.7	L64 L313 H315 V316 V342 F366 T367 S368 D369	V61-L64 HydrophobicContact CB-CB 3.88Å; V61-L64 HydrophobicContact CB-CD2 4Å; V61-L64 HydrophobicContact CG1-CB 3.75Å; V61-L64 HydrophobicContact CG1-CD2 4.26Å; V61-L64 HydrophobicContact CG1-CG 4.49Å; V61-L64 HydrophobicContact CG2-CD2 4.14Å; V61-L313 HydrophobicContact CG2-CD1 4.26Å; V61-H315 WeakPolarHBondContact CG1-O 3.38Å; V61-V316 HydrophobicContact CG1-CG1 4.32Å; V61-V316 HydrophobicContact CG1-CG2 4.28Å; V61-V342 HydrophobicContact CG1-CG1 4.37Å; V61-V342 HydrophobicContact CG1-CG2 4.35Å; V61-V342 HydrophobicContact CG2-CG1 3.75Å; V61-F366 HydrophobicContact CG2-CD2 4.46Å; V61-F366 HydrophobicContact CG2-CE2 3.5Å; V61-F366 VanDerWaalsContact CG2-CE2 3.5Å; V61-F366 HydrophobicContact CG2-CZ 3.73Å; V61-T367 PolarHBondContact N-O 3.41Å; V61-S368 WeakPolarHBondContact O-CA 3.44Å; V61-S368 WeakPolarHBondContact O-CB 3.41Å; V61-S368 PolarHBondContact O-OG 3.3Å; V61-D369 PolarHBondContact O-N 3.5Å
62	D	95.7	Very high	96.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	130.5	-179.6	-149.6	25.9	0	0	0	110.1	L64 R106 K161 H315 V316 H317	D62-L64 PolarHBondContact O-N 3.15Å; D62-L64 VanDerWaalsContact O-N 3.17Å; D62-R106 IonicContact OD1-CZ 3.79Å; D62-R106 IonicContact OD1-NE 3.69Å; D62-R106 IonicContact OD1-NH2 2.73Å; D62-R106 PolarHBondContact OD1-NH2 3.31Å; D62-K161 IonicContact OD1-NZ 3Å; D62-K161 PolarHBondContact OD1-NZ 2.99Å; D62-K161 WeakPolarHBondContact OD2-CD 3.34Å; D62-K161 WeakPolarHBondContact OD2-CE 3.16Å; D62-K161 IonicContact OD2-NZ 3.4Å; D62-K161 PolarHBondContact OD2-NZ 3.42Å; D62-H315 VanDerWaalsContact CB-O 3.3Å; D62-H315 WeakPolarHBondContact CB-O 3.42Å; D62-H315 PolarHBondContact N-O 2.99Å; D62-H315 CarbonylContact O-C 3.43Å; D62-V316 WeakPolarHBondContact O-CG2 3.38Å; D62-V316 PolarHBondContact O-N 3.34Å; D62-H317 HydrophobicContact CB-CB 3.88Å; D62-H317 WeakPolarHBondContact OD2-CB 3.31Å; D62-H317 IonicContact OD2-CD2 3.31Å; D62-H317 IonicContact OD2-CG 2.77Å
63	D	95.8	Very high	97.4	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.021	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	22.8	176.6	-66.6	12.6	0	0	0	116	G65 H317 D369 H370 G372 K395	D63-G65 PolarHBondContact O-N 3.07Å; D63-H317 VanDerWaalsContact CG-CD2 3.49Å; D63-H317 IonicContact OD1-CD2 3.72Å; D63-H317 PolarHBondContact OD1-CD2 3.36Å; D63-H317 IonicContact OD2-CD2 3.25Å; D63-H317 PolarHBondContact OD2-CD2 3.48Å; D63-H317 VanDerWaalsContact OD2-CD2 3.22Å; D63-H317 IonicContact OD2-CG 3Å; D63-H317 IonicContact OD2-NE2 3.46Å; D63-D369 PolarHBondContact N-OD1 2.72Å; D63-H370 IonicContact OD1-CE1 3.7Å; D63-H370 PolarHBondContact OD1-CE1 3.39Å; D63-H370 IonicContact OD1-ND1 2.83Å; D63-H370 IonicContact OD1-NE2 2.94Å; D63-H370 PolarHBondContact OD1-NE2 2.83Å; D63-G372 WeakPolarHBondContact O-CA 3.44Å; D63-K395 IonicContact OD1-NZ 3.58Å; D63-K395 PolarHBondContact OD1-NZ 3.18Å; D63-K395 IonicContact OD2-NZ 3.71Å; D63-K395 PolarHBondContact OD2-NZ 2.82Å
64	L	97.7	Very high	97.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	6%	0.062	C	C	.	.			trans	-79.3	114.8	179.2	174.8	69.9	0	0	0	110.3	V61 D62 D68 I69 V316 L339 F366 S368 P407	V61-L64 HydrophobicContact CB-CB 3.88Å; V61-L64 HydrophobicContact CB-CD2 4Å; V61-L64 HydrophobicContact CG1-CB 3.75Å; V61-L64 HydrophobicContact CG1-CD2 4.26Å; V61-L64 HydrophobicContact CG1-CG 4.49Å; V61-L64 HydrophobicContact CG2-CD2 4.14Å; D62-L64 PolarHBondContact O-N 3.15Å; D62-L64 VanDerWaalsContact O-N 3.17Å; L64-D68 HydrophobicContact CD1-CB 3.68Å; L64-I69 HydrophobicContact CD1-CG2 4.14Å; L64-I69 HydrophobicContact CD2-CG2 4.19Å; L64-V316 HydrophobicContact CB-CG2 4.33Å; L64-L339 HydrophobicContact CD1-CD1 3.59Å; L64-L339 HydrophobicContact CD1-CD2 3.88Å; L64-L339 HydrophobicContact CD1-CG 4.44Å; L64-F366 HydrophobicContact CD2-CE1 3.88Å; L64-F366 HydrophobicContact CD2-CZ 3.6Å; L64-S368 PolarHBondContact N-OG 3.44Å; L64-S368 VanDerWaalsContact O-CB 3.27Å; L64-S368 WeakPolarHBondContact O-CB 3.24Å; L64-S368 PolarHBondContact O-OG 3.2Å; L64-P407 HydrophobicContact CD2-CG 4.25Å
65	G	97.2	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.098	C	C	.	.			trans	-70.2	145.8	174.4	0	0	0	0	0	112.1	D63 G67 D68 W387 N388	D63-G65 PolarHBondContact O-N 3.07Å; G65-G67 PolarHBondContact O-N 3.31Å; G65-D68 WeakPolarHBondContact CA-OD2 3.43Å; G65-D68 PolarHBondContact N-OD2 3.44Å; G65-D68 WeakPolarHBondContact O-CB 3.16Å; G65-D68 PolarHBondContact O-N 2.91Å; G65-D68 VanDerWaalsContact O-N 3.11Å; G65-W387 CarbonylContact C-O 3.58Å; G65-W387 WeakPolarHBondContact CA-O 3.42Å; G65-N388 WeakPolarHBondContact CA-OD1 3.36Å
66	I	97.4	Very high	97.3	Very high	1 Å²	1	17 Å²	17	1%	0.005	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.1	178.7	-173.7	165.3	0	0	0	112.9	D68 Y72 Y391 R405 P407	I66-D68 VanDerWaalsContact C-N 3.3Å; I66-D68 PolarHBondContact O-N 2.99Å; I66-Y72 HydrophobicContact CD1-CD1 3.68Å; I66-Y72 HydrophobicContact CD1-CE1 3.81Å; I66-Y72 HydrophobicContact CG1-CD1 3.47Å; I66-Y72 VanDerWaalsContact CG1-CD1 3.47Å; I66-Y72 HydrophobicContact CG1-CE1 3.97Å; I66-Y72 HydrophobicContact CG1-CG 4.02Å; I66-Y72 WeakPolarHBondContact O-CB 3.34Å; I66-Y391 HydrophobicContact CD1-CE2 4.01Å; I66-Y391 HydrophobicContact CG1-CE2 4.36Å; I66-Y391 HydrophobicContact CG2-CD2 3.35Å; I66-Y391 HydrophobicContact CG2-CE2 3.61Å; I66-Y391 HydrophobicContact CG2-CG 4.46Å; I66-R405 HydrophobicContact CD1-CG 3.61Å; I66-P407 HydrophobicContact CB-CG 4.46Å; I66-P407 HydrophobicContact CG1-CG 4.47Å
67	G	96.6	Very high	97.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.4	178.6	0	0	0	0	0	114.6	G65 N74 W387	G65-G67 PolarHBondContact O-N 3.31Å; G67-N74 WeakPolarHBondContact O-CB 3.4Å; G67-N74 PolarHBondContact O-ND2 3.38Å; G67-W387 VanDerWaalsContact CA-O 3.31Å; G67-W387 WeakPolarHBondContact CA-O 3.46Å; G67-W387 PolarHBondContact N-O 3.22Å; G67-W387 VanDerWaalsContact O-CZ3 3.25Å; G67-W387 WeakPolarHBondContact O-CZ3 3.43Å
68	D	97.1	Very high	97.1	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.011	14%	0.137	C	C	.	.	S	Bend	trans	-83	-19.1	-169.4	-70.3	-43.9	0	0	0	114.1	L64 G65 I66 N74 Y335 L339 G386 W387	L64-D68 HydrophobicContact CD1-CB 3.68Å; G65-D68 WeakPolarHBondContact CA-OD2 3.43Å; G65-D68 PolarHBondContact N-OD2 3.44Å; G65-D68 WeakPolarHBondContact O-CB 3.16Å; G65-D68 PolarHBondContact O-N 2.91Å; G65-D68 VanDerWaalsContact O-N 3.11Å; I66-D68 VanDerWaalsContact C-N 3.3Å; I66-D68 PolarHBondContact O-N 2.99Å; D68-N74 WeakPolarHBondContact O-CB 3.5Å; D68-N74 PolarHBondContact O-ND2 3.37Å; D68-Y335 HydrophobicContact CB-CE1 4.47Å; D68-Y335 VanDerWaalsContact CG-OH 3.28Å; D68-Y335 PolarHBondContact OD2-OH 2.79Å; D68-L339 HydrophobicContact CB-CD2 3.51Å; D68-L339 WeakPolarHBondContact O-CD2 3.46Å; D68-G386 VanDerWaalsContact OD2-CA 3.29Å; D68-G386 WeakPolarHBondContact OD2-CA 3.36Å; D68-W387 VanDerWaalsContact CG-N 3.34Å; D68-W387 WeakPolarHBondContact OD1-CB 3.01Å; D68-W387 PolarHBondContact OD1-N 3.03Å; D68-W387 PolarHBondContact OD2-N 2.68Å; D68-W387 VanDerWaalsContact OD2-N 3.1Å
69	I	97.6	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-111.4	150.9	-172.4	64.3	175.8	0	0	0	113	L64 C71 Y72 G73 N74 T79 I82 L339 F366 P407 I409	L64-I69 HydrophobicContact CD1-CG2 4.14Å; L64-I69 HydrophobicContact CD2-CG2 4.19Å; I69-C71 PolarHBondContact O-N 2.77Å; I69-Y72 HydrophobicContact CD1-CD2 3.46Å; I69-Y72 VanDerWaalsContact CD1-CD2 3.46Å; I69-Y72 HydrophobicContact CD1-CE2 3.8Å; I69-Y72 HydrophobicContact CD1-CG 4.47Å; I69-Y72 HydrophobicContact CG1-CD2 3.61Å; I69-Y72 HydrophobicContact CG1-CE2 4.44Å; I69-Y72 HydrophobicContact CG1-CG 4.27Å; I69-Y72 PolarHBondContact O-N 3.47Å; I69-G73 PolarHBondContact O-N 2.92Å; I69-N74 PolarHBondContact O-N 3.09Å; I69-T79 HydrophobicContact CB-CG2 4.28Å; I69-T79 HydrophobicContact CG2-CG2 4.07Å; I69-I82 HydrophobicContact CD1-CG2 3.86Å; I69-I82 HydrophobicContact CG2-CD1 4.38Å; I69-L339 HydrophobicContact CG2-CD1 4.28Å; I69-L339 HydrophobicContact CG2-CD2 4.31Å; I69-F366 HydrophobicContact CD1-CE1 4.11Å; I69-P407 HydrophobicContact CD1-CB 3.8Å; I69-P407 HydrophobicContact CD1-CG 3.84Å; I69-P407 HydrophobicContact CG1-CG 4.48Å; I69-I409 HydrophobicContact CD1-CD1 4.35Å
70	G	97.9	Very high	97.1	Very high	21 Å²	21	27.8 Å²	27.8	22%	0.216	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-56.8	-49.4	-170.8	0	0	0	0	0	114.3	Y72 G73 N74 T79 D83	G70-Y72 PolarHBondContact O-N 3.01Å; G70-G73 PolarHBondContact O-N 3.39Å; G70-N74 VanDerWaalsContact CA-O 3.28Å; G70-N74 WeakPolarHBondContact CA-O 3.27Å; G70-T79 PolarHBondContact N-OG1 2.71Å; G70-D83 WeakPolarHBondContact CA-OD1 3.33Å
71	C	97.9	Very high	97.1	Very high	23 Å²	23	29.9 Å²	29.9	16%	0.155	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-66.2	-5.3	180	57.9	0	0	0	0	114.8	I69 D83 A86 K91	I69-C71 PolarHBondContact O-N 2.77Å; C71-D83 HydrophobicContact CB-CB 4.48Å; C71-D83 WeakPolarHBondContact CB-OD1 3.46Å; C71-D83 PolarHBondContact N-OD1 2.66Å; C71-D83 PolarHBondContact SG-OD1 3.19Å; C71-A86 HydrophobicContact CB-CB 3.9Å; C71-K91 HydrophobicContact CB-CD 4.41Å; C71-K91 WeakPolarHBondContact O-CD 3.25Å; C71-K91 PolarHBondContact O-NZ 2.81Å
72	Y	98	Very high	97.1	Very high	33 Å²	33	29.9 Å²	29.9	13%	0.129	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-114	8	171.7	-73.2	-97.7	0	0	0	113.8	I66 I69 G70 K91 L92 P407 G408 I409	I66-Y72 HydrophobicContact CD1-CD1 3.68Å; I66-Y72 HydrophobicContact CD1-CE1 3.81Å; I66-Y72 HydrophobicContact CG1-CD1 3.47Å; I66-Y72 VanDerWaalsContact CG1-CD1 3.47Å; I66-Y72 HydrophobicContact CG1-CE1 3.97Å; I66-Y72 HydrophobicContact CG1-CG 4.02Å; I66-Y72 WeakPolarHBondContact O-CB 3.34Å; I69-Y72 HydrophobicContact CD1-CD2 3.46Å; I69-Y72 VanDerWaalsContact CD1-CD2 3.46Å; I69-Y72 HydrophobicContact CD1-CE2 3.8Å; I69-Y72 HydrophobicContact CD1-CG 4.47Å; I69-Y72 HydrophobicContact CG1-CD2 3.61Å; I69-Y72 HydrophobicContact CG1-CE2 4.44Å; I69-Y72 HydrophobicContact CG1-CG 4.27Å; I69-Y72 PolarHBondContact O-N 3.47Å; G70-Y72 PolarHBondContact O-N 3.01Å; Y72-K91 HydrophobicContact CD2-CD 4.36Å; Y72-K91 HydrophobicContact CE1-CD 4.38Å; Y72-K91 HydrophobicContact CE1-CG 4.27Å; Y72-K91 HydrophobicContact CE2-CD 3.94Å; Y72-K91 HydrophobicContact CE2-CG 3.95Å; Y72-K91 WeakPolarHBondContact OH-CG 3.24Å; Y72-L92 WeakPolarHBondContact CE1-O 3.43Å; Y72-L92 PolarHBondContact OH-O 3Å; Y72-P407 HydrophobicContact CD2-CB 4.47Å; Y72-P407 HydrophobicContact CE2-CB 3.92Å; Y72-G408 PolarHBondContact OH-N 3.22Å; Y72-G408 PolarHBondContact OH-O 3.2Å; Y72-G408 VanDerWaalsContact OH-O 3.04Å; Y72-I409 HydrophobicContact CE2-CD1 4.18Å; Y72-I409 HydrophobicContact CE2-CG1 4.13Å
73	G	96.1	Very high	97.3	Very high	59 Å²	59	32.1 Å²	32.1	61%	0.608	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	115.4	1.3	167.4	0	0	0	0	0	115.7	I69 G70	I69-G73 PolarHBondContact O-N 2.92Å; G70-G73 PolarHBondContact O-N 3.39Å
74	N	96.4	Very high	97.4	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.07	20%	0.199	C	C	.	.			trans	-71.9	134.4	171.3	-157.2	-69.3	0	0	0	110.6	G67 D68 I69 G70 T76 I77	G67-N74 WeakPolarHBondContact O-CB 3.4Å; G67-N74 PolarHBondContact O-ND2 3.38Å; D68-N74 WeakPolarHBondContact O-CB 3.5Å; D68-N74 PolarHBondContact O-ND2 3.37Å; I69-N74 PolarHBondContact O-N 3.09Å; G70-N74 VanDerWaalsContact CA-O 3.28Å; G70-N74 WeakPolarHBondContact CA-O 3.27Å; N74-T76 PolarHBondContact OD1-N 3.45Å; N74-T76 PolarHBondContact OD1-OG1 3Å; N74-T76 VanDerWaalsContact OD1-OG1 3.1Å; N74-I77 PolarHBondContact OD1-N 3.1Å
75	D	94.9	Very high	97.4	Very high	151 Å²	151	35.7 Å²	35.7	81%	0.807	20%	0.199	S	C	*	.	S	Bend	trans	-119	0.5	178.4	62.5	-10.8	0	0	0	113.5
76	T	95	Very high	97.5	Very high	48 Å²	48	36 Å²	36	29%	0.294	20%	0.202	S	C	.	.	S	Bend	trans	-109.9	-35	-176.2	53.9	0	0	0	0	113.5	N74 L331 H332	N74-T76 PolarHBondContact OD1-N 3.45Å; N74-T76 PolarHBondContact OD1-OG1 3Å; N74-T76 VanDerWaalsContact OD1-OG1 3.1Å; T76-L331 HydrophobicContact CG2-CD1 4.41Å; T76-H332 PolarHBondContact OG1-CE1 3.33Å; T76-H332 PolarHBondContact OG1-NE2 3.12Å
77	I	95.9	Very high	97.5	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.031	23%	0.226	C	C	.	.	S	Bend	trans	-87.1	130.3	175	-53.6	-179.9	0	0	0	109.4	N74 T79 H332 Y335 L339 E340	N74-I77 PolarHBondContact OD1-N 3.1Å; I77-T79 HydrophobicContact CG2-CG2 4.2Å; I77-T79 PolarHBondContact O-N 2.82Å; I77-H332 HydrophobicContact CD1-CB 4.16Å; I77-H332 HydrophobicContact CG1-CB 4.2Å; I77-Y335 HydrophobicContact CD1-CE1 4.49Å; I77-L339 HydrophobicContact CD1-CD2 3.89Å; I77-L339 HydrophobicContact CG2-CB 4.13Å; I77-L339 HydrophobicContact CG2-CD2 3.9Å; I77-L339 HydrophobicContact CG2-CG 3.96Å; I77-E340 HydrophobicContact CG2-CG 4.08Å
78	R	97.6	Very high	97.6	Very high	137 Å²	137	42 Å²	42	52%	0.517	24%	0.238	S	C	.	.			trans	-84.9	104.3	-176.2	-64.9	-178.8	-70.6	-142.6	-10.9	111.6	P80 K329 E340	R78-P80 WeakPolarHBondContact O-CD 3.36Å; R78-K329 PolarHBondContact NH2-O 2.98Å; R78-E340 HydrophobicContact CB-CG 4.14Å; R78-E340 IonicContact CZ-OE2 3.42Å; R78-E340 VanDerWaalsContact CZ-OE2 3.31Å; R78-E340 IonicContact NE-OE1 3.37Å; R78-E340 IonicContact NE-OE2 3.88Å; R78-E340 PolarHBondContact NE-OE2 3.04Å; R78-E340 IonicContact NH2-OE1 3.31Å; R78-E340 IonicContact NH2-OE2 3.95Å; R78-E340 PolarHBondContact NH2-OE2 2.75Å
79	T	98.4	Very high	97.7	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.018	24%	0.237	C	C	.	.			trans	-121.8	50.2	176.2	63.2	0	0	0	0	115	I69 G70 I77 N81 I82 D83 L339 D343	I69-T79 HydrophobicContact CB-CG2 4.28Å; I69-T79 HydrophobicContact CG2-CG2 4.07Å; G70-T79 PolarHBondContact N-OG1 2.71Å; I77-T79 HydrophobicContact CG2-CG2 4.2Å; I77-T79 PolarHBondContact O-N 2.82Å; T79-N81 VanDerWaalsContact C-N 3.3Å; T79-N81 PolarHBondContact O-N 3.46Å; T79-I82 HydrophobicContact CG2-CD1 4.38Å; T79-I82 PolarHBondContact O-N 3.39Å; T79-D83 WeakPolarHBondContact O-CB 3.46Å; T79-D83 PolarHBondContact O-N 3.3Å; T79-D83 VanDerWaalsContact O-OD2 3.13Å; T79-D83 PolarHBondContact OG1-OD1 2.8Å; T79-L339 HydrophobicContact CG2-CG 4.19Å; T79-D343 VanDerWaalsContact C-CG 3.42Å; T79-D343 WeakPolarHBondContact CA-OD1 3.49Å; T79-D343 HydrophobicContact CG2-CB 4.3Å; T79-D343 VanDerWaalsContact O-OD1 3.06Å
80	P	98.6	Very high	97.7	Very high	81 Å²	81	41.9 Å²	41.9	53%	0.526	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-28.8	-172.9	27.5	-37.5	0	0	0	114.6	R78 R84 D343	R78-P80 WeakPolarHBondContact O-CD 3.36Å; P80-R84 WeakPolarHBondContact O-CB 3.47Å; P80-R84 PolarHBondContact O-N 2.83Å; P80-D343 WeakPolarHBondContact CD-OD2 3.43Å
81	N	98.8	Very high	97.8	Very high	45 Å²	45	43.1 Å²	43.1	24%	0.241	24%	0.237	C	C	.	.	H	α-helix	trans	-78	-38.4	-179.9	-64.8	-74.6	0	0	0	111.9	T79 D83 R84 L85 D343 G347	T79-N81 VanDerWaalsContact C-N 3.3Å; T79-N81 PolarHBondContact O-N 3.46Å; N81-D83 VanDerWaalsContact C-N 3.32Å; N81-R84 WeakPolarHBondContact O-CB 3.47Å; N81-R84 PolarHBondContact O-N 2.96Å; N81-L85 PolarHBondContact O-N 3.03Å; N81-D343 WeakPolarHBondContact CA-OD1 3.46Å; N81-D343 WeakPolarHBondContact CB-O 3.23Å; N81-D343 WeakPolarHBondContact CB-OD1 3.28Å; N81-D343 WeakPolarHBondContact CB-OD2 2.97Å; N81-D343 PolarHBondContact N-OD1 3.47Å; N81-D343 PolarHBondContact N-OD2 2.81Å; N81-D343 PolarHBondContact ND2-O 2.81Å; N81-D343 PolarHBondContact ND2-OD2 2.86Å; N81-G347 WeakPolarHBondContact OD1-CA 3.42Å
82	I	98.8	Very high	97.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-38.8	172.8	-63.3	165.4	0	0	0	109.7	I69 T79 R84 L85 A86 V342 D343 I346 F366 I409	I69-I82 HydrophobicContact CD1-CG2 3.86Å; I69-I82 HydrophobicContact CG2-CD1 4.38Å; T79-I82 HydrophobicContact CG2-CD1 4.38Å; T79-I82 PolarHBondContact O-N 3.39Å; I82-R84 VanDerWaalsContact C-N 3.32Å; I82-R84 PolarHBondContact O-N 3.36Å; I82-L85 VanDerWaalsContact O-CB 3.3Å; I82-L85 WeakPolarHBondContact O-CB 3.34Å; I82-L85 PolarHBondContact O-N 2.81Å; I82-L85 VanDerWaalsContact O-N 3.15Å; I82-A86 PolarHBondContact O-N 3.09Å; I82-V342 HydrophobicContact CD1-CG1 4.41Å; I82-D343 HydrophobicContact CD1-CB 4.1Å; I82-D343 HydrophobicContact CG1-CB 4.47Å; I82-D343 WeakPolarHBondContact CG1-OD1 3.43Å; I82-D343 PolarHBondContact N-OD1 2.9Å; I82-I346 HydrophobicContact CG1-CB 4.25Å; I82-I346 HydrophobicContact CG1-CG1 4.2Å; I82-I346 HydrophobicContact CG1-CG2 4.24Å; I82-F366 HydrophobicContact CD1-CE1 4.46Å; I82-F366 HydrophobicContact CD1-CE2 3.99Å; I82-F366 HydrophobicContact CD1-CZ 3.7Å; I82-F366 HydrophobicContact CG1-CE2 4.2Å; I82-F366 HydrophobicContact CG1-CZ 4.17Å; I82-F366 HydrophobicContact CG2-CD1 4.25Å; I82-F366 HydrophobicContact CG2-CE1 3.93Å; I82-F366 HydrophobicContact CG2-CZ 4.22Å; I82-I409 HydrophobicContact CG2-CD1 3.7Å
83	D	98.8	Very high	97.8	Very high	47 Å²	47	41.8 Å²	41.8	25%	0.251	23%	0.231	S	C	.	.	H	α-helix	trans	-65.4	-37.5	174.7	-60.8	-18.1	0	0	0	111.5	G70 C71 T79 N81 A86 S87	G70-D83 WeakPolarHBondContact CA-OD1 3.33Å; C71-D83 HydrophobicContact CB-CB 4.48Å; C71-D83 WeakPolarHBondContact CB-OD1 3.46Å; C71-D83 PolarHBondContact N-OD1 2.66Å; C71-D83 PolarHBondContact SG-OD1 3.19Å; T79-D83 WeakPolarHBondContact O-CB 3.46Å; T79-D83 PolarHBondContact O-N 3.3Å; T79-D83 VanDerWaalsContact O-OD2 3.13Å; T79-D83 PolarHBondContact OG1-OD1 2.8Å; N81-D83 VanDerWaalsContact C-N 3.32Å; D83-A86 PolarHBondContact O-N 2.65Å; D83-S87 WeakPolarHBondContact O-CB 3.43Å; D83-S87 PolarHBondContact O-N 3.22Å; D83-S87 PolarHBondContact O-OG 3.34Å
84	R	98.6	Very high	97.9	Very high	79 Å²	79	39.6 Å²	39.6	30%	0.298	21%	0.205	S	C	.	.	H	α-helix	trans	-61.1	-45.2	169.5	-171.6	175.5	86.3	106.5	-8.7	111.5	P80 N81 I82 A86 S87 E88 M350 D354	P80-R84 WeakPolarHBondContact O-CB 3.47Å; P80-R84 PolarHBondContact O-N 2.83Å; N81-R84 WeakPolarHBondContact O-CB 3.47Å; N81-R84 PolarHBondContact O-N 2.96Å; I82-R84 VanDerWaalsContact C-N 3.32Å; I82-R84 PolarHBondContact O-N 3.36Å; R84-A86 VanDerWaalsContact C-N 3.27Å; R84-A86 PolarHBondContact O-N 3.26Å; R84-S87 WeakPolarHBondContact CA-OG 3.43Å; R84-S87 PolarHBondContact O-N 3.15Å; R84-S87 PolarHBondContact O-OG 3.11Å; R84-S87 VanDerWaalsContact O-OG 3.04Å; R84-E88 WeakPolarHBondContact CD-OE1 3.44Å; R84-E88 HydrophobicContact CG-CG 4.19Å; R84-E88 WeakPolarHBondContact CG-OE1 3.48Å; R84-E88 IonicContact CZ-OE1 3.94Å; R84-E88 IonicContact NE-OE1 2.7Å; R84-E88 IonicContact NH1-OE1 3.71Å; R84-E88 PolarHBondContact NH1-OE1 2.92Å; R84-E88 IonicContact NH1-OE2 3.3Å; R84-E88 WeakPolarHBondContact O-CB 3.39Å; R84-E88 WeakPolarHBondContact O-CG 3.43Å; R84-E88 PolarHBondContact O-N 3.41Å; R84-M350 HydrophobicContact CG-CE 4.36Å; R84-D354 IonicContact CZ-OD2 2.57Å; R84-D354 IonicContact NH1-OD2 3.51Å; R84-D354 IonicContact NH2-OD2 3.54Å; R84-D354 PolarHBondContact NH2-OD2 2.9Å
85	L	98.4	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.7	-42.1	176.5	-171.9	78	0	0	0	111.5	M59 N81 I82 G89 M350 M364 F366 I409 R411	M59-L85 HydrophobicContact CE-CD1 4.48Å; M59-L85 HydrophobicContact CE-CD2 4.17Å; N81-L85 PolarHBondContact O-N 3.03Å; I82-L85 VanDerWaalsContact O-CB 3.3Å; I82-L85 WeakPolarHBondContact O-CB 3.34Å; I82-L85 PolarHBondContact O-N 2.81Å; I82-L85 VanDerWaalsContact O-N 3.15Å; L85-G89 PolarHBondContact O-N 2.81Å; L85-M350 HydrophobicContact CB-CE 4.08Å; L85-M350 HydrophobicContact CB-SD 3.98Å; L85-M350 HydrophobicContact CD1-CE 3.86Å; L85-M350 HydrophobicContact CD1-CG 4.16Å; L85-M350 HydrophobicContact CD1-SD 3.79Å; L85-M350 HydrophobicContact CG-SD 4.47Å; L85-M364 HydrophobicContact CD1-CB 4.43Å; L85-M364 HydrophobicContact CD1-SD 4.2Å; L85-F366 HydrophobicContact CD2-CB 3.4Å; L85-F366 VanDerWaalsContact CD2-CB 3.4Å; L85-F366 HydrophobicContact CD2-CG 4.15Å; L85-I409 HydrophobicContact CB-CG2 4.31Å; L85-I409 HydrophobicContact CD2-CB 4.23Å; L85-I409 HydrophobicContact CD2-CG2 3.82Å; L85-I409 HydrophobicContact CG-CG2 3.76Å; L85-R411 HydrophobicContact CD1-CB 3.67Å; L85-R411 HydrophobicContact CD1-CG 4.27Å; L85-R411 HydrophobicContact CG-CB 4.27Å
86	A	98.6	Very high	98.2	Very high	8 Å²	8	31.9 Å²	31.9	7%	0.066	16%	0.164	C	C	.	.	H	α-helix	trans	-69.4	-46.7	177.5	0	0	0	0	0	112.9	C71 I82 D83 R84 E88 G89 I409	C71-A86 HydrophobicContact CB-CB 3.9Å; I82-A86 PolarHBondContact O-N 3.09Å; D83-A86 PolarHBondContact O-N 2.65Å; R84-A86 VanDerWaalsContact C-N 3.27Å; R84-A86 PolarHBondContact O-N 3.26Å; A86-E88 VanDerWaalsContact C-N 3.31Å; A86-E88 PolarHBondContact O-N 3.37Å; A86-G89 CarbonylContact O-C 3.57Å; A86-G89 PolarHBondContact O-N 2.7Å; A86-G89 VanDerWaalsContact O-N 3.1Å; A86-I409 HydrophobicContact CB-CD1 4.07Å; A86-I409 HydrophobicContact CB-CG1 4.33Å; A86-I409 HydrophobicContact CB-CG2 4.1Å
87	S	98.4	Very high	98.3	Very high	72 Å²	72	29.6 Å²	29.6	50%	0.503	15%	0.15	S	C	.	.	H	α-helix	trans	-67.2	-29.4	-179.9	56.9	0	0	0	0	113.4	D83 R84 G89 G419	D83-S87 WeakPolarHBondContact O-CB 3.43Å; D83-S87 PolarHBondContact O-N 3.22Å; D83-S87 PolarHBondContact O-OG 3.34Å; R84-S87 WeakPolarHBondContact CA-OG 3.43Å; R84-S87 PolarHBondContact O-N 3.15Å; R84-S87 PolarHBondContact O-OG 3.11Å; R84-S87 VanDerWaalsContact O-OG 3.04Å; S87-G89 VanDerWaalsContact C-N 3.29Å; S87-G419 WeakPolarHBondContact O-CA 3.25Å; S87-G419 PolarHBondContact O-N 3.25Å
88	E	98.3	Very high	98.4	Very high	53 Å²	53	29.6 Å²	29.6	25%	0.248	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	2.4	173.8	-66	-179.4	-169.1	0	0	113.1	R84 A86 R411	R84-E88 WeakPolarHBondContact CD-OE1 3.44Å; R84-E88 HydrophobicContact CG-CG 4.19Å; R84-E88 WeakPolarHBondContact CG-OE1 3.48Å; R84-E88 IonicContact CZ-OE1 3.94Å; R84-E88 IonicContact NE-OE1 2.7Å; R84-E88 IonicContact NH1-OE1 3.71Å; R84-E88 PolarHBondContact NH1-OE1 2.92Å; R84-E88 IonicContact NH1-OE2 3.3Å; R84-E88 WeakPolarHBondContact O-CB 3.39Å; R84-E88 WeakPolarHBondContact O-CG 3.43Å; R84-E88 PolarHBondContact O-N 3.41Å; A86-E88 VanDerWaalsContact C-N 3.31Å; A86-E88 PolarHBondContact O-N 3.37Å; E88-R411 HydrophobicContact CB-CG 4.46Å; E88-R411 IonicContact OE2-CZ 2.66Å; E88-R411 IonicContact OE2-NE 2.83Å; E88-R411 PolarHBondContact OE2-NE 2.85Å; E88-R411 IonicContact OE2-NH2 3.13Å; E88-R411 PolarHBondContact OE2-NH2 2.85Å
89	G	98.1	Very high	98.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-142.1	-150.9	-170.4	0	0	0	0	0	114.5	L85 A86 S87 F410 A418 G419 R420	L85-G89 PolarHBondContact O-N 2.81Å; A86-G89 CarbonylContact O-C 3.57Å; A86-G89 PolarHBondContact O-N 2.7Å; A86-G89 VanDerWaalsContact O-N 3.1Å; S87-G89 VanDerWaalsContact C-N 3.29Å; G89-F410 CarbonylContact C-O 3.42Å; G89-F410 WeakPolarHBondContact CA-O 3.25Å; G89-A418 CarbonylContact O-C 3.52Å; G89-G419 PolarHBondContact O-N 3.35Å; G89-R420 PolarHBondContact O-N 3.17Å; G89-R420 VanDerWaalsContact O-N 3.12Å
90	V	98.8	Very high	98.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.6	177.1	-171.2	0	0	0	0	108.9	L92 I409 F410 L416 R420 V422 L457	V90-L92 HydrophobicContact CG1-CD2 4.22Å; V90-I409 WeakPolarHBondContact O-CA 3.39Å; V90-F410 HydrophobicContact CB-CB 4.46Å; V90-F410 PolarHBondContact N-O 3.16Å; V90-F410 PolarHBondContact O-N 2.78Å; V90-L416 HydrophobicContact CG2-CB 4.06Å; V90-L416 HydrophobicContact CG2-CD1 4.1Å; V90-L416 HydrophobicContact CG2-CG 4.45Å; V90-R420 CarbonylContact C-O 3.51Å; V90-R420 VanDerWaalsContact CA-O 3.28Å; V90-R420 WeakPolarHBondContact CA-O 3.34Å; V90-R420 HydrophobicContact CB-CB 4.48Å; V90-R420 HydrophobicContact CG1-CB 4.19Å; V90-R420 HydrophobicContact CG1-CG 4.17Å; V90-R420 HydrophobicContact CG2-CB 4.14Å; V90-V422 HydrophobicContact CG1-CG2 3.75Å; V90-L457 HydrophobicContact CB-CD2 4.14Å; V90-L457 HydrophobicContact CG1-CD2 3.86Å
91	K	98.8	Very high	98.2	Very high	48 Å²	48	20 Å²	20	21%	0.209	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.8	175.1	-172.2	179.5	71.1	178.4	0	110.2	C71 Y72 R420 V421 V422	C71-K91 HydrophobicContact CB-CD 4.41Å; C71-K91 WeakPolarHBondContact O-CD 3.25Å; C71-K91 PolarHBondContact O-NZ 2.81Å; Y72-K91 HydrophobicContact CD2-CD 4.36Å; Y72-K91 HydrophobicContact CE1-CD 4.38Å; Y72-K91 HydrophobicContact CE1-CG 4.27Å; Y72-K91 HydrophobicContact CE2-CD 3.94Å; Y72-K91 HydrophobicContact CE2-CG 3.95Å; Y72-K91 WeakPolarHBondContact OH-CG 3.24Å; K91-R420 PolarHBondContact N-O 3.45Å; K91-V421 CarbonylContact O-C 3.55Å; K91-V421 WeakPolarHBondContact O-CA 3.31Å; K91-V422 PolarHBondContact O-N 3.18Å
92	L	98.8	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.4	175.4	-54.4	-167.5	0	0	0	109.7	Y72 V90 Y95 G408 F410 V422 T426 L457	Y72-L92 WeakPolarHBondContact CE1-O 3.43Å; Y72-L92 PolarHBondContact OH-O 3Å; V90-L92 HydrophobicContact CG1-CD2 4.22Å; L92-Y95 HydrophobicContact CD1-CD2 3.67Å; L92-Y95 HydrophobicContact CD1-CE2 4.1Å; L92-Y95 HydrophobicContact CD1-CG 4.03Å; L92-G408 PolarHBondContact N-O 3.15Å; L92-F410 HydrophobicContact CD1-CD2 4.12Å; L92-F410 HydrophobicContact CD1-CE2 3.46Å; L92-F410 VanDerWaalsContact CD1-CE2 3.46Å; L92-F410 HydrophobicContact CD1-CZ 4.43Å; L92-F410 HydrophobicContact CG-CD2 4.14Å; L92-F410 HydrophobicContact CG-CE2 3.96Å; L92-V422 WeakPolarHBondContact CA-O 3.5Å; L92-V422 HydrophobicContact CD2-CB 3.6Å; L92-V422 HydrophobicContact CD2-CG1 3.97Å; L92-V422 HydrophobicContact CD2-CG2 4.18Å; L92-T426 HydrophobicContact CD1-CG2 4.28Å; L92-T426 WeakPolarHBondContact CD1-OG1 3.28Å; L92-L457 HydrophobicContact CD2-CD2 3.95Å
93	T	97.9	Very high	98.1	Very high	27 Å²	27	18 Å²	18	17%	0.166	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-18.8	179.2	66.5	0	0	0	0	112.7	R405 V421 V422 D423	T93-R405 PolarHBondContact O-NH1 2.92Å; T93-V421 HydrophobicContact CG2-CG1 3.59Å; T93-V422 PolarHBondContact N-O 2.98Å; T93-D423 WeakPolarHBondContact CB-OD1 3.48Å; T93-D423 WeakPolarHBondContact CG2-OD1 3.18Å; T93-D423 WeakPolarHBondContact OG1-CA 3.16Å; T93-D423 PolarHBondContact OG1-OD1 3.3Å
94	Q	97.8	Very high	98.1	Very high	14 Å²	14	16.2 Å²	16.2	7%	0.065	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	54.4	178.5	-55	-141.5	2.4	0	0	112.8	D423 T426 I490	Q94-D423 VanDerWaalsContact CG-O 3.26Å; Q94-D423 WeakPolarHBondContact CG-O 3.4Å; Q94-T426 PolarHBondContact O-N 3.3Å; Q94-T426 PolarHBondContact O-OG1 3.14Å; Q94-T426 VanDerWaalsContact O-OG1 3.1Å; Q94-I490 VanDerWaalsContact NE2-CD1 3.3Å; Q94-I490 VanDerWaalsContact OE1-CD1 3.27Å
95	Y	98.7	Very high	98.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.5	176.5	-164.9	-137.8	0	0	0	111.4	L92 H365 T367 R405 V406 T426 S427 L428	L92-Y95 HydrophobicContact CD1-CD2 3.67Å; L92-Y95 HydrophobicContact CD1-CE2 4.1Å; L92-Y95 HydrophobicContact CD1-CG 4.03Å; Y95-H365 AromaticContact CE1-NE2 3.34Å; Y95-H365 VanDerWaalsContact CE1-NE2 3.34Å; Y95-H365 WeakPolarHBondContact CE1-NE2 3.43Å; Y95-H365 AromaticContact CZ-NE2 3.52Å; Y95-H365 PolarHBondContact OH-NE2 3.36Å; Y95-T367 WeakPolarHBondContact CE1-OG1 3.4Å; Y95-R405 WeakPolarHBondContact O-CA 3.26Å; Y95-V406 HydrophobicContact CD1-CG2 3.93Å; Y95-V406 WeakPolarHBondContact O-CG2 3.44Å; Y95-V406 PolarHBondContact O-N 3.09Å; Y95-T426 WeakPolarHBondContact CD2-OG1 3.29Å; Y95-S427 WeakPolarHBondContact CE2-O 3.16Å; Y95-L428 HydrophobicContact CD1-CD2 4Å; Y95-L428 HydrophobicContact CE1-CD2 3.31Å; Y95-L428 HydrophobicContact CE1-CG 4.44Å; Y95-L428 HydrophobicContact CE2-CD2 4.46Å
96	I	98.7	Very high	98.1	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.01	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.4	-162.2	-49.8	-56.7	0	0	0	111.9	I404 R405 T426 S427 L428 M469	I96-I404 CarbonylContact C-O 3.48Å; I96-I404 WeakPolarHBondContact CA-O 3.19Å; I96-I404 HydrophobicContact CG2-CB 4.01Å; I96-I404 HydrophobicContact CG2-CD1 3.83Å; I96-I404 HydrophobicContact CG2-CG1 4.05Å; I96-R405 HydrophobicContact CD1-CB 4.06Å; I96-R405 HydrophobicContact CD1-CG 4.1Å; I96-T426 WeakPolarHBondContact CB-O 2.84Å; I96-T426 WeakPolarHBondContact CG1-O 3.38Å; I96-T426 PolarHBondContact N-O 3.31Å; I96-S427 CarbonylContact O-C 3.6Å; I96-S427 WeakPolarHBondContact O-CA 3.44Å; I96-S427 PolarHBondContact O-OG 3.03Å; I96-S427 VanDerWaalsContact O-OG 3.09Å; I96-L428 PolarHBondContact O-N 3.43Å; I96-M469 HydrophobicContact CB-CE 3.91Å; I96-M469 HydrophobicContact CG1-CE 4.2Å; I96-M469 HydrophobicContact CG1-SD 4.3Å; I96-M469 HydrophobicContact CG2-CE 4.38Å
97	A	98.6	Very high	98.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.069	C	C	.	.			trans	-64.8	137.5	167.3	0	0	0	0	0	111.2	A99 D369 H370 I404 V406 L428	A97-A99 PolarHBondContact O-N 3.47Å; A97-D369 WeakPolarHBondContact CB-O 3.44Å; A97-H370 HydrophobicContact CB-CB 4.47Å; A97-I404 WeakPolarHBondContact CB-O 3.46Å; A97-I404 PolarHBondContact N-O 3.46Å; A97-V406 HydrophobicContact CB-CG1 4.34Å; A97-L428 HydrophobicContact CB-CD1 3.66Å; A97-L428 HydrophobicContact CB-CG 4.37Å
98	A	96.1	Very high	98.1	Very high	5 Å²	5	8.8 Å²	8.8	4%	0.041	5%	0.045	C	C	.	.	S	Bend	trans	-73	-14	-179.3	0	0	0	0	0	113.3	A108 Y114 M429	A98-A108 HydrophobicContact CB-CB 3.43Å; A98-A108 VanDerWaalsContact CB-CB 3.43Å; A98-Y114 HydrophobicContact CB-CD1 4.42Å; A98-M429 HydrophobicContact CB-CE 4.24Å; A98-M429 HydrophobicContact CB-CG 3.88Å; A98-M429 HydrophobicContact CB-SD 3.74Å
99	A	97.8	Very high	98.1	Very high	5 Å²	5	6.3 Å²	6.3	4%	0.041	3%	0.034	C	C	.	.	S	Bend	trans	-152.7	154.2	174.7	0	0	0	0	0	110.8	A97 L101 P104 S105 P115	A97-A99 PolarHBondContact O-N 3.47Å; A99-L101 PolarHBondContact O-N 2.96Å; A99-P104 HydrophobicContact CB-CB 3.55Å; A99-P104 HydrophobicContact CB-CG 3.66Å; A99-S105 WeakPolarHBondContact O-CB 3.49Å; A99-P115 HydrophobicContact CB-CG 4.09Å
100	P	97.3	Very high	98.2	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.013	3%	0.034	C	C	.	.	S	Bend	trans	-86.7	18.9	-176	39.9	-42.9	0	0	0	113.6	A396 I404 Y472	P100-A396 PolarHBondContact O-N 3.18Å; P100-I404 HydrophobicContact CB-CG2 4.37Å; P100-Y472 WeakPolarHBondContact CD-O 3.4Å
101	L	97.3	Very high	98.1	Very high	13 Å²	13	6.3 Å²	6.3	7%	0.068	3%	0.034	C	C	.	.	S	Bend	trans	-145.4	150.7	-172.6	-76.7	174.1	0	0	0	112.2	A99 T103 P104 S105 Q127 V128 H370 K395 A396	A99-L101 PolarHBondContact O-N 2.96Å; L101-T103 PolarHBondContact O-N 2.92Å; L101-P104 HydrophobicContact CB-CG 3.8Å; L101-P104 WeakPolarHBondContact O-CD 3.39Å; L101-P104 WeakPolarHBondContact O-CG 3.28Å; L101-S105 VanDerWaalsContact O-CB 3.23Å; L101-S105 WeakPolarHBondContact O-CB 3.28Å; L101-S105 PolarHBondContact O-N 3.36Å; L101-Q127 HydrophobicContact CD1-CB 3.34Å; L101-Q127 HydrophobicContact CD1-CG 4.25Å; L101-V128 HydrophobicContact CB-CG1 3.96Å; L101-V128 HydrophobicContact CD1-CG1 4.37Å; L101-V128 HydrophobicContact CD2-CG1 4.34Å; L101-V128 HydrophobicContact CG-CG1 4.47Å; L101-H370 WeakPolarHBondContact CA-CD2 3.35Å; L101-H370 PolarHBondContact N-CD2 3.32Å; L101-K395 HydrophobicContact CD2-CG 3.95Å; L101-A396 HydrophobicContact CD2-CB 4.02Å; L101-A396 HydrophobicContact CG-CB 4.3Å
102	C	96.9	Very high	98.1	Very high	3 Å²	3	4 Å²	4	2%	0.02	2%	0.024	C	C	.	.	H	α-helix	trans	-56.8	-58.5	-166.8	-38.3	0	0	0	0	112.7	S105 R106 K161 H163 D369 H370	C102-S105 PolarHBondContact O-N 2.84Å; C102-R106 VanDerWaalsContact O-CB 3.28Å; C102-R106 WeakPolarHBondContact O-CB 3.22Å; C102-R106 VanDerWaalsContact O-CD 3.3Å; C102-R106 WeakPolarHBondContact O-CD 3.5Å; C102-R106 VanDerWaalsContact O-CG 3.22Å; C102-R106 WeakPolarHBondContact O-CG 3.43Å; C102-R106 PolarHBondContact O-N 3.12Å; C102-K161 PolarHBondContact SG-NZ 3.18Å; C102-H163 WeakPolarHBondContact CB-ND1 3.38Å; C102-D369 WeakPolarHBondContact CA-OD2 3.21Å; C102-D369 WeakPolarHBondContact CB-OD2 3.43Å; C102-H370 PolarHBondContact N-CD2 2.92Å; C102-H370 PolarHBondContact N-NE2 2.84Å; C102-H370 PolarHBondContact SG-NE2 2.97Å
103	T	98	Very high	98.1	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-55.5	-58.3	-176.3	-60.3	0	0	0	0	112.6	L101 S105 A107 M120 L129 H163 Q164 M588	L101-T103 PolarHBondContact O-N 2.92Å; T103-S105 PolarHBondContact O-N 3.11Å; T103-A107 WeakPolarHBondContact O-CB 3.38Å; T103-A107 PolarHBondContact O-N 3.3Å; T103-M120 HydrophobicContact CG2-CE 3.23Å; T103-L129 HydrophobicContact CG2-CD1 4.32Å; T103-L129 HydrophobicContact CG2-CG 4.09Å; T103-L129 PolarHBondContact OG1-N 2.58Å; T103-H163 PolarHBondContact OG1-CD2 3.09Å; T103-H163 PolarHBondContact OG1-CE1 3.43Å; T103-H163 PolarHBondContact OG1-NE2 3.33Å; T103-H163 PolarHBondContact OG1-O 3.15Å; T103-Q164 PolarHBondContact O-NE2 3.42Å; T103-M588 HydrophobicContact CG2-CE 4.1Å; T103-M588 HydrophobicContact CG2-SD 4.09Å
104	P	98.3	Very high	98.1	Very high	9 Å²	9	4.3 Å²	4.3	6%	0.058	2%	0.022	C	C	.	.	H	α-helix	trans	-63.8	-40.1	-178.9	22.9	-33.3	0	0	0	112.6	A99 L101 A107 A108 P115 M120	A99-P104 HydrophobicContact CB-CB 3.55Å; A99-P104 HydrophobicContact CB-CG 3.66Å; L101-P104 HydrophobicContact CB-CG 3.8Å; L101-P104 WeakPolarHBondContact O-CD 3.39Å; L101-P104 WeakPolarHBondContact O-CG 3.28Å; P104-A107 WeakPolarHBondContact O-CB 3.49Å; P104-A107 PolarHBondContact O-N 2.91Å; P104-A108 PolarHBondContact O-N 3.45Å; P104-P115 HydrophobicContact CB-CB 3.72Å; P104-P115 HydrophobicContact CB-CG 3.68Å; P104-P115 WeakPolarHBondContact O-CG 3.28Å; P104-M120 WeakPolarHBondContact CB-O 3.21Å
105	S	98.5	Very high	98.1	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-65.8	-44.7	-177.7	-171.6	0	0	0	0	112.2	A99 L101 C102 T103 A107 A108 L109 D369 L428	A99-S105 WeakPolarHBondContact O-CB 3.49Å; L101-S105 VanDerWaalsContact O-CB 3.23Å; L101-S105 WeakPolarHBondContact O-CB 3.28Å; L101-S105 PolarHBondContact O-N 3.36Å; C102-S105 PolarHBondContact O-N 2.84Å; T103-S105 PolarHBondContact O-N 3.11Å; S105-A107 VanDerWaalsContact C-N 3.31Å; S105-A107 PolarHBondContact O-N 3.47Å; S105-A108 PolarHBondContact O-N 3.03Å; S105-A108 VanDerWaalsContact O-N 3.15Å; S105-L109 PolarHBondContact O-N 3.5Å; S105-D369 WeakPolarHBondContact CB-O 3.45Å; S105-D369 PolarHBondContact OG-O 3.23Å; S105-L428 WeakPolarHBondContact OG-CD1 3.21Å
106	R	98.7	Very high	97.8	Very high	3 Å²	3	5.2 Å²	5.2	1%	0.011	3%	0.028	C	C	.	.	H	α-helix	trans	-63.8	-36.2	175.7	-70.8	163.1	-178.4	-83	-5.3	111.9	M60 D62 C102 A108 M110 S312 D369	M60-R106 HydrophobicContact SD-CG 4.14Å; D62-R106 IonicContact OD1-CZ 3.79Å; D62-R106 IonicContact OD1-NE 3.69Å; D62-R106 IonicContact OD1-NH2 2.73Å; D62-R106 PolarHBondContact OD1-NH2 3.31Å; C102-R106 VanDerWaalsContact O-CB 3.28Å; C102-R106 WeakPolarHBondContact O-CB 3.22Å; C102-R106 VanDerWaalsContact O-CD 3.3Å; C102-R106 WeakPolarHBondContact O-CD 3.5Å; C102-R106 VanDerWaalsContact O-CG 3.22Å; C102-R106 WeakPolarHBondContact O-CG 3.43Å; C102-R106 PolarHBondContact O-N 3.12Å; R106-A108 VanDerWaalsContact C-N 3.32Å; R106-A108 PolarHBondContact O-N 2.81Å; R106-M110 WeakPolarHBondContact O-CB 3.29Å; R106-M110 WeakPolarHBondContact O-CG 3.27Å; R106-M110 PolarHBondContact O-N 3.07Å; R106-S312 PolarHBondContact NH1-OG 3.42Å; R106-D369 HydrophobicContact CG-CB 4.12Å; R106-D369 IonicContact CZ-OD2 3.5Å; R106-D369 IonicContact NE-OD2 2.84Å; R106-D369 PolarHBondContact NE-OD2 3.21Å; R106-D369 IonicContact NH2-OD2 3.87Å; R106-D369 PolarHBondContact NH2-OD2 2.97Å
107	A	98.6	Very high	97.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-62.4	-42.7	174.1	0	0	0	0	0	110.9	T103 P104 S105 M110 T111 M120 L138 Q164	T103-A107 WeakPolarHBondContact O-CB 3.38Å; T103-A107 PolarHBondContact O-N 3.3Å; P104-A107 WeakPolarHBondContact O-CB 3.49Å; P104-A107 PolarHBondContact O-N 2.91Å; S105-A107 VanDerWaalsContact C-N 3.31Å; S105-A107 PolarHBondContact O-N 3.47Å; A107-M110 PolarHBondContact O-N 3.36Å; A107-T111 WeakPolarHBondContact O-CB 3.37Å; A107-T111 WeakPolarHBondContact O-CG2 3.44Å; A107-T111 PolarHBondContact O-N 3Å; A107-T111 VanDerWaalsContact O-N 3.11Å; A107-T111 PolarHBondContact O-OG1 2.91Å; A107-M120 HydrophobicContact CB-CB 3.83Å; A107-M120 HydrophobicContact CB-CG 3.82Å; A107-L138 HydrophobicContact CB-CD1 4.32Å; A107-Q164 VanDerWaalsContact N-NE2 3.13Å
108	A	98.6	Very high	97.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-69.2	-42.8	179.2	0	0	0	0	0	113.1	A98 P104 S105 R106 M110 T111 G112 R113 P115 M429	A98-A108 HydrophobicContact CB-CB 3.43Å; A98-A108 VanDerWaalsContact CB-CB 3.43Å; P104-A108 PolarHBondContact O-N 3.45Å; S105-A108 PolarHBondContact O-N 3.03Å; S105-A108 VanDerWaalsContact O-N 3.15Å; R106-A108 VanDerWaalsContact C-N 3.32Å; R106-A108 PolarHBondContact O-N 2.81Å; A108-M110 VanDerWaalsContact C-N 3.29Å; A108-M110 PolarHBondContact O-N 3.08Å; A108-T111 PolarHBondContact O-N 3.41Å; A108-G112 WeakPolarHBondContact O-CA 3.37Å; A108-G112 PolarHBondContact O-N 3Å; A108-R113 WeakPolarHBondContact CA-O 3.38Å; A108-R113 VanDerWaalsContact CB-O 3.22Å; A108-R113 WeakPolarHBondContact CB-O 3.19Å; A108-P115 HydrophobicContact CB-CG 4.16Å; A108-M429 HydrophobicContact CB-CG 3.97Å; A108-M429 HydrophobicContact CB-SD 4.28Å
109	L	98.7	Very high	97.4	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	3%	0.03	C	C	.	.	H	α-helix	trans	-54.7	-48.1	171.5	179.5	93	0	0	0	110.7	M60 S105 T111 F145 F310 L428 L431	M60-L109 HydrophobicContact CE-CD1 3.95Å; M60-L109 HydrophobicContact CE-CD2 3.52Å; M60-L109 HydrophobicContact CE-CG 4.23Å; M60-L109 HydrophobicContact SD-CD2 4.15Å; S105-L109 PolarHBondContact O-N 3.5Å; L109-T111 VanDerWaalsContact C-N 3.33Å; L109-T111 PolarHBondContact O-N 2.59Å; L109-F145 HydrophobicContact CD2-CE1 4.3Å; L109-F145 HydrophobicContact CG-CE1 4.26Å; L109-F145 WeakPolarHBondContact O-CD1 3.49Å; L109-F310 HydrophobicContact CD2-CE2 4.04Å; L109-F310 HydrophobicContact CD2-CZ 3.87Å; L109-L428 HydrophobicContact CB-CB 4.47Å; L109-L428 HydrophobicContact CD1-CB 3.83Å; L109-L428 HydrophobicContact CD1-CD2 4.05Å; L109-L428 HydrophobicContact CD1-CG 4.39Å; L109-L431 HydrophobicContact CD1-CB 4.38Å; L109-L431 HydrophobicContact CD1-CD2 3.79Å; L109-L431 HydrophobicContact CG-CD2 4.39Å
110	M	98.6	Very high	97.4	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-66	-33.8	-176	-74.5	-68	163.7	0	0	113.3	R106 A107 A108 T144 F145 W162 F183 F310 Y432	R106-M110 WeakPolarHBondContact O-CB 3.29Å; R106-M110 WeakPolarHBondContact O-CG 3.27Å; R106-M110 PolarHBondContact O-N 3.07Å; A107-M110 PolarHBondContact O-N 3.36Å; A108-M110 VanDerWaalsContact C-N 3.29Å; A108-M110 PolarHBondContact O-N 3.08Å; M110-T144 HydrophobicContact CB-CG2 4.06Å; M110-T144 CarbonylContact O-C 3.52Å; M110-T144 WeakPolarHBondContact O-CA 3.49Å; M110-F145 HydrophobicContact CE-CE1 3.97Å; M110-F145 HydrophobicContact CE-CZ 3.58Å; M110-F145 HydrophobicContact CG-CE1 4.31Å; M110-F145 PolarHBondContact O-N 3.42Å; M110-F145 HydrophobicContact SD-CD1 4.11Å; M110-F145 HydrophobicContact SD-CE1 3.36Å; M110-F145 WeakPolarHBondContact SD-CE1 3.42Å; M110-F145 HydrophobicContact SD-CE2 4.15Å; M110-F145 HydrophobicContact SD-CZ 3.37Å; M110-F145 WeakPolarHBondContact SD-CZ 3.43Å; M110-W162 HydrophobicContact CE-CZ3 4.12Å; M110-W162 HydrophobicContact CG-CZ3 4.22Å; M110-W162 HydrophobicContact SD-CZ3 4.26Å; M110-F183 HydrophobicContact CE-CE2 4.24Å; M110-F183 HydrophobicContact CE-CZ 3.92Å; M110-F183 HydrophobicContact SD-CE2 4.1Å; M110-F183 HydrophobicContact SD-CZ 4.02Å; M110-F310 HydrophobicContact CE-CD1 3.22Å; M110-F310 HydrophobicContact CE-CE1 3.01Å; M110-F310 HydrophobicContact CE-CE2 4.45Å; M110-F310 HydrophobicContact CE-CG 4.06Å; M110-F310 HydrophobicContact CE-CZ 3.69Å; M110-Y432 VanDerWaalsContact O-CD2 3.31Å; M110-Y432 WeakPolarHBondContact O-CD2 3Å
111	T	98.7	Very high	97.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-108.3	-11.5	-170.1	58.5	0	0	0	0	114.2	A107 A108 L109 R113 L138 E142	A107-T111 WeakPolarHBondContact O-CB 3.37Å; A107-T111 WeakPolarHBondContact O-CG2 3.44Å; A107-T111 PolarHBondContact O-N 3Å; A107-T111 VanDerWaalsContact O-N 3.11Å; A107-T111 PolarHBondContact O-OG1 2.91Å; A108-T111 PolarHBondContact O-N 3.41Å; L109-T111 VanDerWaalsContact C-N 3.33Å; L109-T111 PolarHBondContact O-N 2.59Å; T111-R113 PolarHBondContact O-N 3.38Å; T111-R113 PolarHBondContact OG1-N 2.91Å; T111-L138 HydrophobicContact CG2-CD1 3.9Å; T111-E142 HydrophobicContact CG2-CB 4Å; T111-E142 HydrophobicContact CG2-CG 4.4Å
112	G	98.5	Very high	96.9	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	22.9	-172.6	0	0	0	0	0	113.7	A108 M429 D449 G450	A108-G112 WeakPolarHBondContact O-CA 3.37Å; A108-G112 PolarHBondContact O-N 3Å; G112-M429 WeakPolarHBondContact CA-O 3.29Å; G112-D449 PolarHBondContact O-N 2.77Å; G112-G450 PolarHBondContact O-N 3.23Å
113	R	98.1	Very high	96.5	Very high	22 Å²	22	8 Å²	8	8%	0.083	5%	0.046	C	C	.	.	S	Bend	trans	-133.9	147.5	-170.6	-72.8	165.7	62.6	92.9	-7.1	111	A108 T111 R117 E142 Q447 L448 D449	A108-R113 WeakPolarHBondContact CA-O 3.38Å; A108-R113 VanDerWaalsContact CB-O 3.22Å; A108-R113 WeakPolarHBondContact CB-O 3.19Å; T111-R113 PolarHBondContact O-N 3.38Å; T111-R113 PolarHBondContact OG1-N 2.91Å; R113-R117 HydrophobicContact CB-CB 4.32Å; R113-E142 IonicContact NE-OE2 3.5Å; R113-Q447 WeakPolarHBondContact CG-O 3.41Å; R113-Q447 PolarHBondContact NH1-O 2.86Å; R113-L448 HydrophobicContact CG-CD2 4.15Å; R113-D449 VanDerWaalsContact CA-OD2 3.28Å; R113-D449 WeakPolarHBondContact CA-OD2 3.06Å
114	Y	98.1	Very high	95.9	Very high	10 Å²	10	8.9 Å²	8.9	4%	0.039	6%	0.055	C	C	.	.			trans	-56.8	143.5	173.1	-80.6	-65.9	0	0	0	111.3	A98 L116 R117 M429 D449 F470 Y472 H564	A98-Y114 HydrophobicContact CB-CD1 4.42Å; Y114-L116 PolarHBondContact O-N 3.4Å; Y114-R117 VanDerWaalsContact O-CB 3.32Å; Y114-R117 WeakPolarHBondContact O-CB 3.35Å; Y114-R117 PolarHBondContact O-N 3.07Å; Y114-M429 HydrophobicContact CD1-CE 4.18Å; Y114-M429 HydrophobicContact CD1-SD 4.13Å; Y114-M429 HydrophobicContact CD2-CE 4.46Å; Y114-M429 HydrophobicContact CE1-CE 3.78Å; Y114-M429 HydrophobicContact CE1-SD 4.33Å; Y114-M429 HydrophobicContact CE2-CE 4.09Å; Y114-M429 HydrophobicContact CG-CE 4.5Å; Y114-M429 HydrophobicContact CG-SD 4.26Å; Y114-D449 HydrophobicContact CD2-CB 3.78Å; Y114-D449 WeakPolarHBondContact CD2-OD1 3.35Å; Y114-D449 WeakPolarHBondContact CD2-OD2 3.38Å; Y114-D449 HydrophobicContact CE2-CB 3.87Å; Y114-D449 PolarHBondContact N-OD2 2.79Å; Y114-F470 HydrophobicContact CE1-CB 4.42Å; Y114-F470 WeakPolarHBondContact CE1-O 3.12Å; Y114-F470 HydrophobicContact CE2-CB 4.34Å; Y114-F470 HydrophobicContact CE2-CD2 4.06Å; Y114-F470 PolarHBondContact OH-N 3.44Å; Y114-F470 PolarHBondContact OH-O 2.98Å; Y114-F470 VanDerWaalsContact OH-O 3.11Å; Y114-Y472 HydrophobicContact CD1-CD2 4.22Å; Y114-Y472 HydrophobicContact CD1-CE2 4.38Å; Y114-Y472 HydrophobicContact CE1-CD2 4.48Å; Y114-H564 AromaticContact CD2-CE1 3.7Å; Y114-H564 AromaticContact CE2-CE1 3.79Å
115	P	96.6	Very high	95.4	Very high	3 Å²	3	13 Å²	13	2%	0.019	7%	0.07	C	C	.	.	H	α-helix	trans	-58.2	-27.9	-177.4	-22.7	31.2	0	0	0	113.9	A99 P104 A108 R117 S118 G119 M120 A121	A99-P115 HydrophobicContact CB-CG 4.09Å; P104-P115 HydrophobicContact CB-CB 3.72Å; P104-P115 HydrophobicContact CB-CG 3.68Å; P104-P115 WeakPolarHBondContact O-CG 3.28Å; A108-P115 HydrophobicContact CB-CG 4.16Å; P115-R117 PolarHBondContact O-N 3.41Å; P115-S118 PolarHBondContact O-N 3.48Å; P115-S118 PolarHBondContact O-OG 2.96Å; P115-S118 VanDerWaalsContact O-OG 3.13Å; P115-G119 PolarHBondContact O-N 3.3Å; P115-G119 VanDerWaalsContact O-N 3.13Å; P115-M120 HydrophobicContact CB-CB 4.43Å; P115-M120 WeakPolarHBondContact CB-O 3.25Å; P115-M120 PolarHBondContact O-N 2.91Å; P115-A121 HydrophobicContact CB-CB 4.33Å
116	L	94.3	Very high	95	Very high	31 Å²	31	13.7 Å²	13.7	16%	0.162	7%	0.074	C	C	.	.	H	α-helix	trans	-62	-30.1	175.3	-74.6	83.9	0	0	0	112.3	Y114 S118 G119 A121 Y472 F568	Y114-L116 PolarHBondContact O-N 3.4Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.35Å; L116-G119 PolarHBondContact O-N 3.08Å; L116-A121 HydrophobicContact CD1-CB 4.35Å; L116-A121 HydrophobicContact CG-CB 4.27Å; L116-Y472 HydrophobicContact CD1-CD1 3.44Å; L116-Y472 VanDerWaalsContact CD1-CD1 3.44Å; L116-Y472 HydrophobicContact CD1-CD2 3.8Å; L116-Y472 HydrophobicContact CD1-CE1 3.77Å; L116-Y472 HydrophobicContact CD1-CE2 4.1Å; L116-Y472 HydrophobicContact CD1-CG 3.45Å; L116-Y472 VanDerWaalsContact CD1-CG 3.45Å; L116-Y472 HydrophobicContact CD2-CD1 3.81Å; L116-Y472 HydrophobicContact CD2-CE1 3.43Å; L116-Y472 VanDerWaalsContact CD2-CE1 3.43Å; L116-Y472 HydrophobicContact CG-CD1 4.28Å; L116-Y472 HydrophobicContact CG-CE1 4.27Å; L116-F568 HydrophobicContact CB-CD1 4.42Å; L116-F568 HydrophobicContact CB-CE1 3.6Å; L116-F568 HydrophobicContact CB-CZ 4.09Å; L116-F568 HydrophobicContact CD2-CZ 4.44Å
117	R	95	Very high	94.7	Very high	9 Å²	9	14.2 Å²	14.2	3%	0.034	8%	0.076	C	C	.	.	H	α-helix	trans	-74.5	-21.3	-178.7	-61.2	-167.6	-173.8	-74.6	2.2	113.5	R113 Y114 P115 D449 T567 F568	R113-R117 HydrophobicContact CB-CB 4.32Å; Y114-R117 VanDerWaalsContact O-CB 3.32Å; Y114-R117 WeakPolarHBondContact O-CB 3.35Å; Y114-R117 PolarHBondContact O-N 3.07Å; P115-R117 PolarHBondContact O-N 3.41Å; R117-D449 VanDerWaalsContact CD-OD2 3.23Å; R117-D449 WeakPolarHBondContact CD-OD2 3.25Å; R117-D449 IonicContact CZ-OD1 3.6Å; R117-D449 VanDerWaalsContact CZ-OD1 3.31Å; R117-D449 IonicContact CZ-OD2 3.57Å; R117-D449 VanDerWaalsContact NE-CG 3.29Å; R117-D449 IonicContact NE-OD1 3.2Å; R117-D449 PolarHBondContact NE-OD1 2.75Å; R117-D449 IonicContact NE-OD2 2.76Å; R117-D449 PolarHBondContact NE-OD2 2.87Å; R117-D449 IonicContact NH2-OD1 2.72Å; R117-D449 PolarHBondContact NH2-OD1 3.1Å; R117-D449 IonicContact NH2-OD2 3.76Å; R117-T567 PolarHBondContact NH1-O 3.4Å; R117-T567 PolarHBondContact NH1-OG1 2.91Å; R117-T567 PolarHBondContact NH2-OG1 3.37Å; R117-F568 HydrophobicContact CG-CD1 4.28Å; R117-F568 HydrophobicContact CG-CE1 3.67Å
118	S	94.9	Very high	94.5	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-107.2	0.5	177.3	56.8	0	0	0	0	112.7	P115 L116 M120 P139 E142	P115-S118 PolarHBondContact O-N 3.48Å; P115-S118 PolarHBondContact O-OG 2.96Å; P115-S118 VanDerWaalsContact O-OG 3.13Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.35Å; S118-M120 PolarHBondContact O-N 3.45Å; S118-M120 WeakPolarHBondContact OG-CG 3.34Å; S118-P139 WeakPolarHBondContact O-CD 3.48Å; S118-P139 WeakPolarHBondContact O-CG 3.45Å; S118-E142 VanDerWaalsContact CB-CD 3.46Å
119	G	94.8	Very high	94.3	Very high	5 Å²	5	15.6 Å²	15.6	5%	0.052	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	12	-176.8	0	0	0	0	0	114.1	P115 L116 A121 Q587	P115-G119 PolarHBondContact O-N 3.3Å; P115-G119 VanDerWaalsContact O-N 3.13Å; L116-G119 PolarHBondContact O-N 3.08Å; G119-A121 PolarHBondContact O-N 3.06Å; G119-A121 VanDerWaalsContact O-N 3.13Å; G119-Q587 PolarHBondContact O-N 3.17Å
120	M	96.6	Very high	94	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.			trans	-86.2	42.1	178.2	-63.3	-59.9	-61	0	0	111.5	T103 P104 A107 P115 S118 L138 Q164 Q587 M588	T103-M120 HydrophobicContact CG2-CE 3.23Å; P104-M120 WeakPolarHBondContact CB-O 3.21Å; A107-M120 HydrophobicContact CB-CB 3.83Å; A107-M120 HydrophobicContact CB-CG 3.82Å; P115-M120 HydrophobicContact CB-CB 4.43Å; P115-M120 WeakPolarHBondContact CB-O 3.25Å; P115-M120 PolarHBondContact O-N 2.91Å; S118-M120 PolarHBondContact O-N 3.45Å; S118-M120 WeakPolarHBondContact OG-CG 3.34Å; M120-L138 HydrophobicContact CG-CD1 4.46Å; M120-Q164 VanDerWaalsContact CE-OE1 3.27Å; M120-Q587 HydrophobicContact SD-CB 3.6Å; M120-Q587 VanDerWaalsContact SD-CB 3.6Å; M120-Q587 HydrophobicContact SD-CG 3.97Å; M120-M588 HydrophobicContact CE-SD 4.04Å
121	A	92.9	Very high	93.8	Very high	7 Å²	7	16.7 Å²	16.7	6%	0.058	9%	0.09	C	C	.	.			trans	-141.2	138.7	-179.3	0	0	0	0	0	110.1	P115 L116 G119 V475 N586	P115-A121 HydrophobicContact CB-CB 4.33Å; L116-A121 HydrophobicContact CD1-CB 4.35Å; L116-A121 HydrophobicContact CG-CB 4.27Å; G119-A121 PolarHBondContact O-N 3.06Å; G119-A121 VanDerWaalsContact O-N 3.13Å; A121-V475 HydrophobicContact CB-CG1 3.94Å; A121-N586 PolarHBondContact O-OD1 3.14Å
122	S	91.1	Very high	93.5	Very high	7 Å²	7	17 Å²	17	5%	0.049	9%	0.091	C	C	.	.			trans	-107.2	141.2	-175.3	-176.1	0	0	0	0	112.6	G124 V126 G474 V475 M588	S122-G124 VanDerWaalsContact C-N 3.34Å; S122-G124 PolarHBondContact OG-N 2.89Å; S122-G124 VanDerWaalsContact OG-N 3.12Å; S122-V126 WeakPolarHBondContact CB-O 3.42Å; S122-V126 PolarHBondContact OG-O 2.74Å; S122-G474 CarbonylContact O-C 3.3Å; S122-G474 VanDerWaalsContact O-CA 3.24Å; S122-G474 WeakPolarHBondContact O-CA 3.21Å; S122-V475 PolarHBondContact O-N 3.14Å; S122-V475 VanDerWaalsContact O-N 3.14Å; S122-M588 PolarHBondContact OG-O 3.36Å
123	P	87.9	Confident	93.3	Very high	57 Å²	57	17 Å²	17	37%	0.37	9%	0.091	S	C	.	.	S	Bend	trans	-81.8	-12.5	167.9	33.8	-34.8	0	0	0	113.6	V475 Y476 H517 N586	P123-V475 HydrophobicContact CB-CG2 3.86Å; P123-Y476 WeakPolarHBondContact O-CE2 3.43Å; P123-Y476 PolarHBondContact O-OH 2.8Å; P123-H517 PolarHBondContact O-CD2 2.93Å; P123-N586 WeakPolarHBondContact CD-ND2 3.37Å
124	G	86.5	Confident	93.2	Very high	19 Å²	19	16.1 Å²	16.1	20%	0.196	9%	0.09	C	C	.	.	S	Bend	trans	-106.6	-173.1	-173.8	0	0	0	0	0	113.9	S122 V126	S122-G124 VanDerWaalsContact C-N 3.34Å; S122-G124 PolarHBondContact OG-N 2.89Å; S122-G124 VanDerWaalsContact OG-N 3.12Å; G124-V126 VanDerWaalsContact C-N 3.3Å; G124-V126 PolarHBondContact O-N 3.27Å
125	R	87.6	Confident	93.1	Very high	94 Å²	94	15.7 Å²	15.7	36%	0.355	9%	0.088	S	C	.	.	S	Bend	trans	-63.1	-32.2	-178.8	76.2	-178	-171.9	136.1	-3.3	114.1	D208 L515 H517 W590	R125-D208 IonicContact CZ-OD1 2.63Å; R125-D208 IonicContact CZ-OD2 2.94Å; R125-D208 IonicContact NH1-OD1 2.71Å; R125-D208 PolarHBondContact NH1-OD1 3.31Å; R125-D208 IonicContact NH1-OD2 2.75Å; R125-D208 PolarHBondContact NH1-OD2 2.87Å; R125-D208 IonicContact NH2-OD1 3.55Å; R125-D208 PolarHBondContact NH2-OD1 2.94Å; R125-D208 IonicContact NH2-OD2 2.98Å; R125-D208 PolarHBondContact NH2-OD2 3.09Å; R125-L515 HydrophobicContact CB-CD2 4.07Å; R125-H517 PolarHBondContact N-NE2 3.37Å; R125-W590 HydrophobicContact CG-CZ2 4.46Å
126	V	90.6	Very high	93.1	Very high	15 Å²	15	15.7 Å²	15.7	9%	0.091	9%	0.088	C	C	.	.			trans	-90.1	112.8	179.5	-178.4	0	0	0	0	109	S122 G124 V128 L130 L206 W590 I593	S122-V126 WeakPolarHBondContact CB-O 3.42Å; S122-V126 PolarHBondContact OG-O 2.74Å; G124-V126 VanDerWaalsContact C-N 3.3Å; G124-V126 PolarHBondContact O-N 3.27Å; V126-V128 VanDerWaalsContact CG1-O 3.27Å; V126-V128 WeakPolarHBondContact CG1-O 3.35Å; V126-L130 HydrophobicContact CB-CD1 4.3Å; V126-L130 HydrophobicContact CG1-CD1 3.4Å; V126-L130 VanDerWaalsContact CG1-CD1 3.4Å; V126-L130 HydrophobicContact CG1-CD2 4.34Å; V126-L130 HydrophobicContact CG1-CG 3.6Å; V126-L130 HydrophobicContact CG2-CD1 3.85Å; V126-L206 HydrophobicContact CG2-CD2 3.89Å; V126-W590 HydrophobicContact CB-CH2 4.45Å; V126-W590 HydrophobicContact CG2-CH2 3.45Å; V126-W590 VanDerWaalsContact CG2-CH2 3.45Å; V126-W590 HydrophobicContact CG2-CZ2 3.9Å; V126-W590 HydrophobicContact CG2-CZ3 4.08Å; V126-I593 HydrophobicContact CB-CD1 4.42Å; V126-I593 HydrophobicContact CG1-CD1 3.9Å; V126-I593 HydrophobicContact CG1-CG2 4.17Å
127	Q	91.8	Very high	93.3	Very high	14 Å²	14	14.2 Å²	14.2	7%	0.065	8%	0.081	C	C	.	.			trans	-117.9	3.4	-173.4	-65.6	-176	67.1	0	0	113.8	L101 G474 C516	L101-Q127 HydrophobicContact CD1-CB 3.34Å; L101-Q127 HydrophobicContact CD1-CG 4.25Å; Q127-G474 VanDerWaalsContact OE1-CA 3.24Å; Q127-C516 VanDerWaalsContact CD-SG 3.57Å; Q127-C516 PolarHBondContact NE2-SG 2.86Å; Q127-C516 PolarHBondContact OE1-SG 3.34Å
128	V	94.8	Very high	93.4	Very high	22 Å²	22	13.8 Å²	13.8	13%	0.133	8%	0.079	C	C	.	.	S	Bend	trans	-130.1	160.6	172.6	-64.2	0	0	0	0	109.3	L101 V126 L130	L101-V128 HydrophobicContact CB-CG1 3.96Å; L101-V128 HydrophobicContact CD1-CG1 4.37Å; L101-V128 HydrophobicContact CD2-CG1 4.34Å; L101-V128 HydrophobicContact CG-CG1 4.47Å; V126-V128 VanDerWaalsContact CG1-O 3.27Å; V126-V128 WeakPolarHBondContact CG1-O 3.35Å; V128-L130 HydrophobicContact CG2-CD2 4.06Å
129	L	94.9	Very high	93.5	Very high	7 Å²	7	14.1 Å²	14.1	4%	0.037	8%	0.081	C	C	.	.			trans	-67	141.7	174.2	-62.7	171.5	0	0	0	108	T103 G136 H163 F191 M588 I593	T103-L129 HydrophobicContact CG2-CD1 4.32Å; T103-L129 HydrophobicContact CG2-CG 4.09Å; T103-L129 PolarHBondContact OG1-N 2.58Å; L129-G136 WeakPolarHBondContact CD2-O 3.48Å; L129-H163 PolarHBondContact O-NE2 3Å; L129-F191 HydrophobicContact CB-CE2 4.25Å; L129-F191 WeakPolarHBondContact O-CE2 3.48Å; L129-F191 WeakPolarHBondContact O-CZ 3.19Å; L129-M588 HydrophobicContact CD2-CE 4.07Å; L129-M588 HydrophobicContact CD2-SD 3.73Å; L129-M588 HydrophobicContact CG-CE 4.24Å; L129-M588 HydrophobicContact CG-SD 4.22Å; L129-I593 HydrophobicContact CD2-CG1 4.4Å
130	L	91.4	Very high	93.6	Very high	12 Å²	12	18 Å²	18	6%	0.063	11%	0.106	C	C	.	.			trans	-115.9	-16.6	-175.9	-68	-174.9	0	0	0	114	V126 V128 F191 V205 L206 N268 I593	V126-L130 HydrophobicContact CB-CD1 4.3Å; V126-L130 HydrophobicContact CG1-CD1 3.4Å; V126-L130 VanDerWaalsContact CG1-CD1 3.4Å; V126-L130 HydrophobicContact CG1-CD2 4.34Å; V126-L130 HydrophobicContact CG1-CG 3.6Å; V126-L130 HydrophobicContact CG2-CD1 3.85Å; V128-L130 HydrophobicContact CG2-CD2 4.06Å; L130-F191 VanDerWaalsContact O-CZ 3.29Å; L130-F191 WeakPolarHBondContact O-CZ 3.36Å; L130-V205 HydrophobicContact CB-CG1 4.22Å; L130-L206 HydrophobicContact CD1-CD1 4.41Å; L130-L206 HydrophobicContact CD1-CD2 3.59Å; L130-L206 HydrophobicContact CD1-CG 3.8Å; L130-N268 PolarHBondContact O-ND2 2.81Å; L130-I593 HydrophobicContact CB-CG2 4.12Å; L130-I593 HydrophobicContact CD1-CG2 4.5Å; L130-I593 HydrophobicContact CG-CG2 4.32Å
131	F	93.8	Very high	93.5	Very high	14 Å²	14	23.3 Å²	23.3	6%	0.061	13%	0.134	C	C	.	.			trans	-140.7	138.2	-174	-59.9	-84.8	0	0	0	110.9	G133 G134 V205 L206 F261 L264 I593 W595	F131-G133 VanDerWaalsContact C-N 3.32Å; F131-G134 PolarHBondContact O-N 2.64Å; F131-V205 HydrophobicContact CE1-CG1 3.87Å; F131-V205 HydrophobicContact CE2-CG1 4.11Å; F131-V205 HydrophobicContact CZ-CG1 3.54Å; F131-L206 HydrophobicContact CE2-CD1 4.12Å; F131-L206 HydrophobicContact CZ-CD1 4.17Å; F131-F261 HydrophobicContact CZ-CE1 4.34Å; F131-L264 HydrophobicContact CD1-CD2 4.06Å; F131-L264 HydrophobicContact CE1-CD2 3.74Å; F131-I593 WeakPolarHBondContact CD2-O 3.28Å; F131-W595 HydrophobicContact CB-CB 4.2Å; F131-W595 HydrophobicContact CD1-CB 3.8Å; F131-W595 HydrophobicContact CD1-CG 4.31Å; F131-W595 HydrophobicContact CD2-CB 4.34Å; F131-W595 HydrophobicContact CE1-CB 4.21Å; F131-W595 HydrophobicContact CG-CB 3.86Å
132	L	93.9	Very high	93.7	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.026	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-30.4	171.5	-80.6	-175	0	0	0	113	G134 V166 P190 F191 N268 I270 P601	L132-G134 PolarHBondContact O-N 2.94Å; L132-V166 HydrophobicContact CD2-CG2 3.67Å; L132-P190 HydrophobicContact CD1-CG 3.84Å; L132-P190 HydrophobicContact CD2-CB 4.03Å; L132-P190 HydrophobicContact CD2-CG 3.84Å; L132-F191 HydrophobicContact CD1-CB 4.18Å; L132-F191 HydrophobicContact CD2-CB 3.61Å; L132-F191 HydrophobicContact CD2-CD2 4.34Å; L132-F191 HydrophobicContact CD2-CG 4.17Å; L132-F191 HydrophobicContact CG-CB 3.82Å; L132-F191 HydrophobicContact CG-CG 4.16Å; L132-N268 VanDerWaalsContact CD1-O 3.31Å; L132-N268 WeakPolarHBondContact CD1-O 3.5Å; L132-N268 PolarHBondContact N-OD1 3.39Å; L132-I270 HydrophobicContact CD1-CD1 3.55Å; L132-I270 HydrophobicContact CD1-CG1 3.65Å; L132-P601 HydrophobicContact CB-CG 4.39Å
133	G	94.3	Very high	94	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	15.4	169.2	0	0	0	0	0	114.3	F131 R596	F131-G133 VanDerWaalsContact C-N 3.32Å; G133-R596 WeakPolarHBondContact O-CA 3.43Å; G133-R596 WeakPolarHBondContact O-CB 3.42Å; G133-R596 PolarHBondContact O-N 2.86Å
134	G	95.3	Very high	94.5	Very high	5 Å²	5	22.2 Å²	22.2	5%	0.052	13%	0.125	C	C	.	.			trans	-79.3	162.5	170.2	0	0	0	0	0	112.2	F131 L132 K592	F131-G134 PolarHBondContact O-N 2.64Å; L132-G134 PolarHBondContact O-N 2.94Å; G134-K592 CarbonylContact C-O 3.59Å; G134-K592 WeakPolarHBondContact CA-O 3.5Å
135	S	96.8	Very high	95.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-106.2	3	175.7	54.2	0	0	0	0	113.9	N167 C168 H176 K592 R596	S135-N167 WeakPolarHBondContact CA-O 3.37Å; S135-C168 WeakPolarHBondContact CB-O 3.41Å; S135-H176 PolarHBondContact O-NE2 3.08Å; S135-K592 PolarHBondContact N-O 3.45Å; S135-K592 PolarHBondContact O-NZ 3.4Å; S135-K592 WeakPolarHBondContact OG-CD 3.31Å; S135-R596 PolarHBondContact OG-NE 3.34Å
136	G	96.6	Very high	95.6	Very high	3 Å²	3	17 Å²	17	3%	0.031	10%	0.099	C	C	.	.			trans	-90.7	140.9	175.6	0	0	0	0	0	111.3	L129 Q587 K592	L129-G136 WeakPolarHBondContact CD2-O 3.48Å; G136-Q587 WeakPolarHBondContact CA-O 3.3Å; G136-K592 PolarHBondContact N-O 3.32Å; G136-K592 VanDerWaalsContact N-O 3.09Å
137	G	97.5	Very high	96	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	179.3	178.3	178.4	0	0	0	0	0	111.9	P139 Q164 H176 Q587	G137-P139 VanDerWaalsContact O-CD 3.25Å; G137-P139 WeakPolarHBondContact O-CD 3.36Å; G137-P139 VanDerWaalsContact O-N 3.1Å; G137-Q164 CarbonylContact C-O 3.56Å; G137-Q164 WeakPolarHBondContact CA-O 3.31Å; G137-H176 VanDerWaalsContact C-CE1 3.48Å; G137-H176 PolarHBondContact N-NE2 3.49Å; G137-H176 PolarHBondContact O-CE1 2.78Å; G137-Q587 VanDerWaalsContact O-CG 3.26Å; G137-Q587 WeakPolarHBondContact O-CG 3.39Å; G137-Q587 PolarHBondContact O-OE1 3.1Å
138	L	98.1	Very high	96.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-56.9	117.1	178.6	179.6	67.4	0	0	0	109	A107 T111 M120 E142 T144 W162 Q164 H176 H181	A107-L138 HydrophobicContact CB-CD1 4.32Å; T111-L138 HydrophobicContact CG2-CD1 3.9Å; M120-L138 HydrophobicContact CG-CD1 4.46Å; L138-E142 HydrophobicContact CD1-CB 3.88Å; L138-E142 HydrophobicContact CD1-CG 3.91Å; L138-E142 HydrophobicContact CG-CB 4.14Å; L138-T144 HydrophobicContact CD2-CG2 3.7Å; L138-W162 HydrophobicContact CD2-CH2 4.11Å; L138-W162 HydrophobicContact CD2-CZ2 4.35Å; L138-Q164 HydrophobicContact CB-CB 3.81Å; L138-Q164 HydrophobicContact CB-CG 4.36Å; L138-Q164 PolarHBondContact N-O 2.87Å; L138-H176 PolarHBondContact O-ND1 2.87Å; L138-H181 PolarHBondContact O-CE1 2.9Å; L138-H181 VanDerWaalsContact O-CE1 3.27Å; L138-H181 PolarHBondContact O-NE2 2.83Å; L138-H181 VanDerWaalsContact O-NE2 3.16Å
139	P	97.3	Very high	96.5	Very high	11 Å²	11	18.9 Å²	18.9	7%	0.071	10%	0.104	C	C	.	.			trans	-58.8	141.5	-171.8	-29.2	35.8	0	0	0	113	S118 G137 N141 E142 H181 Q587	S118-P139 WeakPolarHBondContact O-CD 3.48Å; S118-P139 WeakPolarHBondContact O-CG 3.45Å; G137-P139 VanDerWaalsContact O-CD 3.25Å; G137-P139 WeakPolarHBondContact O-CD 3.36Å; G137-P139 VanDerWaalsContact O-N 3.1Å; P139-N141 WeakPolarHBondContact CB-OD1 3.45Å; P139-N141 PolarHBondContact O-N 2.87Å; P139-E142 HydrophobicContact CB-CG 4.14Å; P139-E142 HydrophobicContact CG-CG 4.24Å; P139-E142 WeakPolarHBondContact O-CB 3.12Å; P139-E142 PolarHBondContact O-N 3.05Å; P139-H181 PolarHBondContact O-CE1 3.2Å; P139-Q587 HydrophobicContact CG-CG 3.74Å
140	P	95.8	Very high	96.6	Very high	86 Å²	86	21.1 Å²	21.1	56%	0.558	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.4	179.4	-26.3	34.7	0	0	0	115	E142 C175	P140-E142 VanDerWaalsContact C-N 3.34Å; P140-C175 HydrophobicContact CG-CB 4.14Å
141	N	94.2	Very high	96.9	Very high	112 Å²	112	25.2 Å²	25.2	60%	0.599	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.7	175.5	70.2	-6.7	0	0	0	113.5	P139	P139-N141 WeakPolarHBondContact CB-OD1 3.45Å; P139-N141 PolarHBondContact O-N 2.87Å
142	E	96.7	Very high	97.1	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.037	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-76.7	131.1	172.5	-69.2	-64.2	135.2	0	0	110.1	T111 R113 S118 L138 P139 P140 R446	T111-E142 HydrophobicContact CG2-CB 4Å; T111-E142 HydrophobicContact CG2-CG 4.4Å; R113-E142 IonicContact NE-OE2 3.5Å; S118-E142 VanDerWaalsContact CB-CD 3.46Å; L138-E142 HydrophobicContact CD1-CB 3.88Å; L138-E142 HydrophobicContact CD1-CG 3.91Å; L138-E142 HydrophobicContact CG-CB 4.14Å; P139-E142 HydrophobicContact CB-CG 4.14Å; P139-E142 HydrophobicContact CG-CG 4.24Å; P139-E142 WeakPolarHBondContact O-CB 3.12Å; P139-E142 PolarHBondContact O-N 3.05Å; P140-E142 VanDerWaalsContact C-N 3.34Å; E142-R446 IonicContact OE1-CZ 2.94Å; E142-R446 VanDerWaalsContact OE1-CZ 3.23Å; E142-R446 IonicContact OE1-NH1 2.74Å; E142-R446 PolarHBondContact OE1-NH1 3.1Å; E142-R446 IonicContact OE1-NH2 3.27Å; E142-R446 PolarHBondContact OE1-NH2 3.32Å; E142-R446 IonicContact OE2-CZ 3.98Å; E142-R446 IonicContact OE2-NH2 3.09Å; E142-R446 PolarHBondContact OE2-NH2 3.33Å
143	T	97.7	Very high	97.2	Very high	40 Å²	40	28.6 Å²	28.6	25%	0.245	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-96.9	125.5	175.7	-54.1	0	0	0	0	109.1	K147 R148 Y432	T143-K147 HydrophobicContact CG2-CB 4.17Å; T143-K147 HydrophobicContact CG2-CG 4.31Å; T143-R148 HydrophobicContact CG2-CG 4.01Å; T143-R148 VanDerWaalsContact CG2-NE 3.33Å; T143-Y432 WeakPolarHBondContact O-CE2 3.11Å
144	T	98.7	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-95	161.2	178.4	65.8	0	0	0	0	111.8	M110 L138 A146 K147 R148 H181	M110-T144 HydrophobicContact CB-CG2 4.06Å; M110-T144 CarbonylContact O-C 3.52Å; M110-T144 WeakPolarHBondContact O-CA 3.49Å; L138-T144 HydrophobicContact CD2-CG2 3.7Å; T144-A146 PolarHBondContact O-N 2.82Å; T144-A146 PolarHBondContact OG1-N 3.07Å; T144-K147 WeakPolarHBondContact O-CB 3.27Å; T144-K147 PolarHBondContact O-N 3.36Å; T144-K147 VanDerWaalsContact O-N 3.07Å; T144-K147 PolarHBondContact OG1-N 2.63Å; T144-R148 PolarHBondContact O-N 2.83Å; T144-R148 VanDerWaalsContact O-N 3.08Å; T144-H181 HydrophobicContact CG2-CB 3.91Å; T144-H181 PolarHBondContact OG1-O 2.93Å
145	F	98.6	Very high	97.6	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.013	17%	0.17	C	C	.	.	H	α-helix	trans	-59	-33.9	172.2	61.5	-109	0	0	0	110.9	L58 L109 M110 R148 L149 F183 L308 Y432 L435	L58-F145 HydrophobicContact CD1-CD2 4.37Å; L58-F145 HydrophobicContact CD1-CE2 3.65Å; L58-F145 HydrophobicContact CD1-CZ 3.83Å; L109-F145 HydrophobicContact CD2-CE1 4.3Å; L109-F145 HydrophobicContact CG-CE1 4.26Å; L109-F145 WeakPolarHBondContact O-CD1 3.49Å; M110-F145 HydrophobicContact CE-CE1 3.97Å; M110-F145 HydrophobicContact CE-CZ 3.58Å; M110-F145 HydrophobicContact CG-CE1 4.31Å; M110-F145 PolarHBondContact O-N 3.42Å; M110-F145 HydrophobicContact SD-CD1 4.11Å; M110-F145 HydrophobicContact SD-CE1 3.36Å; M110-F145 WeakPolarHBondContact SD-CE1 3.42Å; M110-F145 HydrophobicContact SD-CE2 4.15Å; M110-F145 HydrophobicContact SD-CZ 3.37Å; M110-F145 WeakPolarHBondContact SD-CZ 3.43Å; F145-R148 PolarHBondContact O-N 3.31Å; F145-L149 WeakPolarHBondContact O-CB 3.37Å; F145-L149 VanDerWaalsContact O-CG 3.26Å; F145-L149 WeakPolarHBondContact O-CG 3.45Å; F145-L149 PolarHBondContact O-N 3.31Å; F145-F183 HydrophobicContact CE2-CZ 4.32Å; F145-L308 HydrophobicContact CD2-CD2 4.06Å; F145-L308 HydrophobicContact CE2-CD1 4.25Å; F145-L308 HydrophobicContact CE2-CD2 4Å; F145-Y432 HydrophobicContact CB-CD2 3.69Å; F145-Y432 HydrophobicContact CB-CE2 4.28Å; F145-Y432 HydrophobicContact CB-CG 4.27Å; F145-Y432 VanDerWaalsContact N-CD2 3.32Å; F145-Y432 VanDerWaalsContact N-CE2 3.27Å; F145-L435 HydrophobicContact CB-CD1 3.99Å; F145-L435 HydrophobicContact CD1-CD1 4.4Å; F145-L435 HydrophobicContact CD2-CD1 3.67Å; F145-L435 HydrophobicContact CE2-CD1 4.26Å; F145-L435 HydrophobicContact CG-CD1 3.78Å
146	A	98.8	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-41.1	176.2	0	0	0	0	0	111.4	T144 R148 L149 Q150 F183 L308	T144-A146 PolarHBondContact O-N 2.82Å; T144-A146 PolarHBondContact OG1-N 3.07Å; A146-R148 PolarHBondContact O-N 3.34Å; A146-L149 PolarHBondContact O-N 3.26Å; A146-Q150 VanDerWaalsContact O-CB 3.28Å; A146-Q150 WeakPolarHBondContact O-CB 3.26Å; A146-Q150 PolarHBondContact O-N 2.78Å; A146-F183 HydrophobicContact CB-CD1 3.86Å; A146-F183 HydrophobicContact CB-CD2 3.96Å; A146-F183 HydrophobicContact CB-CE1 3.54Å; A146-F183 HydrophobicContact CB-CE2 3.63Å; A146-F183 HydrophobicContact CB-CG 4.08Å; A146-F183 HydrophobicContact CB-CZ 3.41Å; A146-F183 VanDerWaalsContact CB-CZ 3.41Å; A146-L308 HydrophobicContact CB-CD2 3.8Å
147	K	98.6	Very high	97.8	Very high	68 Å²	68	30 Å²	30	30%	0.296	17%	0.168	S	C	.	.	H	α-helix	trans	-63.6	-41.5	175.5	-169.1	66.1	176.1	-178.9	0	111.9	T143 T144 Q150 Q151	T143-K147 HydrophobicContact CG2-CB 4.17Å; T143-K147 HydrophobicContact CG2-CG 4.31Å; T144-K147 WeakPolarHBondContact O-CB 3.27Å; T144-K147 PolarHBondContact O-N 3.36Å; T144-K147 VanDerWaalsContact O-N 3.07Å; T144-K147 PolarHBondContact OG1-N 2.63Å; K147-Q150 PolarHBondContact O-N 2.98Å; K147-Q151 VanDerWaalsContact O-CG 3.27Å; K147-Q151 WeakPolarHBondContact O-CG 3.47Å; K147-Q151 PolarHBondContact O-N 3.12Å
148	R	98.1	Very high	97.8	Very high	22 Å²	22	30 Å²	30	8%	0.083	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-47.6	174.4	-65.3	-54.7	-170	177.7	-0.1	111.8	T143 T144 F145 A146 Q150 Q151 Q152 Y432 D441 P444 D445	T143-R148 HydrophobicContact CG2-CG 4.01Å; T143-R148 VanDerWaalsContact CG2-NE 3.33Å; T144-R148 PolarHBondContact O-N 2.83Å; T144-R148 VanDerWaalsContact O-N 3.08Å; F145-R148 PolarHBondContact O-N 3.31Å; A146-R148 PolarHBondContact O-N 3.34Å; R148-Q150 PolarHBondContact O-N 3.35Å; R148-Q151 WeakPolarHBondContact O-CB 3.32Å; R148-Q151 PolarHBondContact O-N 3.11Å; R148-Q152 WeakPolarHBondContact O-CG 3.32Å; R148-Q152 PolarHBondContact O-N 3.41Å; R148-Y432 HydrophobicContact CG-CE2 4.31Å; R148-Y432 VanDerWaalsContact CG-OH 3.25Å; R148-Y432 WeakPolarHBondContact CG-OH 3.16Å; R148-Y432 PolarHBondContact NE-OH 2.79Å; R148-Y432 VanDerWaalsContact NE-OH 3.09Å; R148-D441 WeakPolarHBondContact CD-OD2 3.41Å; R148-P444 PolarHBondContact NH2-O 3.04Å; R148-D445 IonicContact CZ-OD1 2.77Å; R148-D445 VanDerWaalsContact CZ-OD1 3.29Å; R148-D445 IonicContact NE-OD1 2.99Å; R148-D445 PolarHBondContact NE-OD1 2.63Å; R148-D445 VanDerWaalsContact NE-OD1 3.15Å; R148-D445 IonicContact NE-OD2 3.18Å; R148-D445 IonicContact NH2-OD1 3.9Å; R148-D445 PolarHBondContact NH2-OD1 3.46Å; R148-D445 IonicContact NH2-OD2 3.29Å
149	L	98.6	Very high	97.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-40.7	178.2	-68.9	178.3	0	0	0	112.1	F56 F145 A146 Q151 Q152 G153 Y154 T156 L308 L435 A439	F56-L149 HydrophobicContact CD2-CD1 3.66Å; F56-L149 HydrophobicContact CD2-CD2 4.17Å; F56-L149 HydrophobicContact CE2-CD1 3.91Å; F56-L149 HydrophobicContact CE2-CD2 3.58Å; F56-L149 HydrophobicContact CE2-CG 4.41Å; F56-L149 HydrophobicContact CZ-CD2 4.43Å; F145-L149 WeakPolarHBondContact O-CB 3.37Å; F145-L149 VanDerWaalsContact O-CG 3.26Å; F145-L149 WeakPolarHBondContact O-CG 3.45Å; F145-L149 PolarHBondContact O-N 3.31Å; A146-L149 PolarHBondContact O-N 3.26Å; L149-Q151 VanDerWaalsContact C-N 3.34Å; L149-Q151 PolarHBondContact O-N 2.92Å; L149-Q152 CarbonylContact O-C 3.55Å; L149-Q152 WeakPolarHBondContact O-CA 3.27Å; L149-Q152 PolarHBondContact O-N 3.49Å; L149-Q152 VanDerWaalsContact O-N 3.09Å; L149-G153 PolarHBondContact O-N 3.34Å; L149-Y154 HydrophobicContact CB-CD2 4.27Å; L149-Y154 HydrophobicContact CB-CG 4.15Å; L149-Y154 HydrophobicContact CD2-CD2 4.08Å; L149-Y154 HydrophobicContact CD2-CE2 4.01Å; L149-Y154 HydrophobicContact CD2-CG 4.39Å; L149-Y154 WeakPolarHBondContact O-CB 3.32Å; L149-Y154 WeakPolarHBondContact O-CD2 3.44Å; L149-Y154 PolarHBondContact O-N 2.84Å; L149-T156 HydrophobicContact CB-CG2 4.25Å; L149-L308 HydrophobicContact CD1-CB 4.12Å; L149-L308 HydrophobicContact CD1-CD1 3.93Å; L149-L308 HydrophobicContact CD1-CD2 3.74Å; L149-L308 HydrophobicContact CD1-CG 4.13Å; L149-L435 HydrophobicContact CD1-CB 4.32Å; L149-L435 HydrophobicContact CD1-CD1 4.28Å; L149-A439 HydrophobicContact CD2-CB 3.32Å
150	Q	98.2	Very high	97.9	Very high	54 Å²	54	29.5 Å²	29.5	25%	0.252	17%	0.165	S	C	.	.	H	α-helix	trans	-59.1	-43.8	173	-177.6	-175.7	73.4	0	0	111.4	A146 K147 R148 Q152 G153 T156 G182 S184	A146-Q150 VanDerWaalsContact O-CB 3.28Å; A146-Q150 WeakPolarHBondContact O-CB 3.26Å; A146-Q150 PolarHBondContact O-N 2.78Å; K147-Q150 PolarHBondContact O-N 2.98Å; R148-Q150 PolarHBondContact O-N 3.35Å; Q150-Q152 PolarHBondContact O-N 3.39Å; Q150-G153 WeakPolarHBondContact O-CA 3.18Å; Q150-G153 PolarHBondContact O-N 2.66Å; Q150-T156 HydrophobicContact CB-CG2 4.12Å; Q150-G182 PolarHBondContact NE2-O 3.36Å; Q150-S184 PolarHBondContact NE2-OG 3.35Å; Q150-S184 VanDerWaalsContact NE2-OG 3.07Å
151	Q	97.4	Very high	98.1	Very high	98 Å²	98	25.4 Å²	25.4	46%	0.458	14%	0.138	S	C	.	.	H	α-helix	trans	-63.2	-30.8	175.2	-73.5	169.1	-16.7	0	0	112.6	K147 R148 L149 G153	K147-Q151 VanDerWaalsContact O-CG 3.27Å; K147-Q151 WeakPolarHBondContact O-CG 3.47Å; K147-Q151 PolarHBondContact O-N 3.12Å; R148-Q151 WeakPolarHBondContact O-CB 3.32Å; R148-Q151 PolarHBondContact O-N 3.11Å; L149-Q151 VanDerWaalsContact C-N 3.34Å; L149-Q151 PolarHBondContact O-N 2.92Å; Q151-G153 PolarHBondContact O-N 2.83Å
152	Q	97.4	Very high	98.2	Very high	41 Å²	41	20.2 Å²	20.2	19%	0.192	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	5.9	171.5	-62.3	-56	-32.4	0	0	113.1	R53 R148 L149 Q150 Y154 A439 D441	R53-Q152 PolarHBondContact NH1-O 2.88Å; R148-Q152 WeakPolarHBondContact O-CG 3.32Å; R148-Q152 PolarHBondContact O-N 3.41Å; L149-Q152 CarbonylContact O-C 3.55Å; L149-Q152 WeakPolarHBondContact O-CA 3.27Å; L149-Q152 PolarHBondContact O-N 3.49Å; L149-Q152 VanDerWaalsContact O-N 3.09Å; Q150-Q152 PolarHBondContact O-N 3.39Å; Q152-Y154 HydrophobicContact CB-CD2 4.1Å; Q152-Y154 HydrophobicContact CB-CE2 4.26Å; Q152-A439 HydrophobicContact CG-CB 4.31Å; Q152-D441 HydrophobicContact CG-CB 3.85Å; Q152-D441 PolarHBondContact NE2-OD1 3.5Å
153	G	97.1	Very high	98.3	Very high	48 Å²	48	19.9 Å²	19.9	50%	0.495	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	19.3	175.2	0	0	0	0	0	114.9	L149 Q150 Q151	L149-G153 PolarHBondContact O-N 3.34Å; Q150-G153 WeakPolarHBondContact O-CA 3.18Å; Q150-G153 PolarHBondContact O-N 2.66Å; Q151-G153 PolarHBondContact O-N 2.83Å
154	Y	98.5	Very high	98.3	Very high	6 Å²	6	18 Å²	18	2%	0.024	10%	0.097	C	C	.	.			trans	-73.9	145.7	168	-75.3	-112	0	0	0	110.6	P54 F56 L149 Q152 P306 A439	P54-Y154 WeakPolarHBondContact O-CE1 2.96Å; P54-Y154 PolarHBondContact O-OH 2.77Å; F56-Y154 AromaticContact CD2-CD1 3.98Å; F56-Y154 HydrophobicContact CD2-CD1 3.98Å; F56-Y154 AromaticContact CD2-CE1 3.51Å; F56-Y154 HydrophobicContact CD2-CE1 3.51Å; F56-Y154 HydrophobicContact CE2-CD1 4.06Å; F56-Y154 AromaticContact CE2-CE1 3.24Å; F56-Y154 HydrophobicContact CE2-CE1 3.24Å; F56-Y154 HydrophobicContact CE2-CE2 4.44Å; F56-Y154 AromaticContact CE2-CZ 3.48Å; F56-Y154 VanDerWaalsContact CE2-CZ 3.48Å; F56-Y154 WeakPolarHBondContact CE2-OH 3.06Å; F56-Y154 HydrophobicContact CZ-CE1 4.3Å; L149-Y154 HydrophobicContact CB-CD2 4.27Å; L149-Y154 HydrophobicContact CB-CG 4.15Å; L149-Y154 HydrophobicContact CD2-CD2 4.08Å; L149-Y154 HydrophobicContact CD2-CE2 4.01Å; L149-Y154 HydrophobicContact CD2-CG 4.39Å; L149-Y154 WeakPolarHBondContact O-CB 3.32Å; L149-Y154 WeakPolarHBondContact O-CD2 3.44Å; L149-Y154 PolarHBondContact O-N 2.84Å; Q152-Y154 HydrophobicContact CB-CD2 4.1Å; Q152-Y154 HydrophobicContact CB-CE2 4.26Å; Y154-P306 WeakPolarHBondContact CA-O 3.38Å; Y154-P306 HydrophobicContact CD1-CB 3.84Å; Y154-P306 HydrophobicContact CE1-CB 3.72Å; Y154-P306 HydrophobicContact CG-CB 4.36Å; Y154-A439 HydrophobicContact CE2-CB 3.89Å
155	T	98.4	Very high	98.2	Very high	33 Å²	33	18.4 Å²	18.4	20%	0.202	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	118.9	162.7	-59.9	0	0	0	0	109.1	F298 N302 R305 P306 F307 L308	T155-F298 HydrophobicContact CG2-CE2 4.16Å; T155-F298 HydrophobicContact CG2-CZ 4.12Å; T155-N302 VanDerWaalsContact CG2-OD1 3.28Å; T155-N302 WeakPolarHBondContact CG2-OD1 3.35Å; T155-R305 WeakPolarHBondContact OG1-CD 3.36Å; T155-P306 PolarHBondContact N-O 3.37Å; T155-P306 VanDerWaalsContact N-O 3.1Å; T155-F307 CarbonylContact O-C 3.55Å; T155-F307 WeakPolarHBondContact O-CA 3.48Å; T155-F307 WeakPolarHBondContact O-CB 3.22Å; T155-L308 PolarHBondContact O-N 3.01Å
156	T	98.9	Very high	98.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.6	-171.7	54.5	0	0	0	0	110.9	L149 Q150 G182 F183 S184 Y185 L308	L149-T156 HydrophobicContact CB-CG2 4.25Å; Q150-T156 HydrophobicContact CB-CG2 4.12Å; T156-G182 WeakPolarHBondContact CB-O 3.34Å; T156-G182 PolarHBondContact OG1-O 2.93Å; T156-F183 WeakPolarHBondContact OG1-CA 3.47Å; T156-S184 WeakPolarHBondContact O-CA 3.04Å; T156-S184 PolarHBondContact O-N 2.66Å; T156-S184 PolarHBondContact OG1-N 3.19Å; T156-S184 PolarHBondContact OG1-OG 3.08Å; T156-Y185 PolarHBondContact O-N 2.89Å; T156-L308 CarbonylContact C-O 3.42Å; T156-L308 WeakPolarHBondContact CA-O 3.48Å; T156-L308 HydrophobicContact CG2-CB 4.03Å; T156-L308 HydrophobicContact CG2-CD2 3.82Å
157	G	98.8	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.6	-179.6	0	0	0	0	0	111.6	Y185 L308 F310	G157-Y185 CarbonylContact C-O 3.56Å; G157-Y185 WeakPolarHBondContact CA-O 3.46Å; G157-L308 PolarHBondContact N-O 3.22Å; G157-F310 PolarHBondContact O-N 2.94Å
158	L	98.9	Very high	98	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.4	167.9	-169.8	155.8	0	0	0	108.8	W162 P178 F183 Y185 F186 Y187 F310	L158-W162 HydrophobicContact CD1-CD2 4.49Å; L158-W162 HydrophobicContact CD1-CE3 3.58Å; L158-W162 HydrophobicContact CD1-CZ3 4.02Å; L158-P178 HydrophobicContact CD1-CB 4.39Å; L158-P178 HydrophobicContact CD1-CG 4.48Å; L158-F183 HydrophobicContact CB-CB 4.34Å; L158-F183 HydrophobicContact CB-CD1 3.72Å; L158-F183 HydrophobicContact CB-CD2 4.23Å; L158-F183 HydrophobicContact CB-CE1 3.99Å; L158-F183 HydrophobicContact CB-CE2 4.48Å; L158-F183 HydrophobicContact CB-CG 3.84Å; L158-F183 HydrophobicContact CB-CZ 4.36Å; L158-F183 HydrophobicContact CD1-CD2 4.06Å; L158-F183 HydrophobicContact CD1-CE1 4.42Å; L158-F183 HydrophobicContact CD1-CE2 3.77Å; L158-F183 HydrophobicContact CD1-CZ 3.95Å; L158-Y185 PolarHBondContact N-O 2.84Å; L158-F186 HydrophobicContact CB-CD2 4.13Å; L158-F186 HydrophobicContact CD2-CD2 3.44Å; L158-F186 VanDerWaalsContact CD2-CD2 3.44Å; L158-F186 HydrophobicContact CD2-CE2 3.39Å; L158-F186 HydrophobicContact CG-CD2 4.32Å; L158-F186 WeakPolarHBondContact O-CA 3.33Å; L158-Y187 PolarHBondContact O-N 3.44Å; L158-F310 WeakPolarHBondContact CA-O 3.4Å; L158-F310 HydrophobicContact CD1-CD1 3.65Å; L158-F310 HydrophobicContact CD1-CE1 4.17Å; L158-F310 HydrophobicContact CG-CD1 3.84Å
159	V	98.9	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.2	173	-179.2	0	0	0	0	109.1	Y185 Y187 L291 E294 A295 L309 F310 F311 S312	V159-Y185 HydrophobicContact CG2-CE1 4.24Å; V159-Y187 CarbonylContact C-O 3.56Å; V159-Y187 VanDerWaalsContact CA-O 3.26Å; V159-Y187 WeakPolarHBondContact CA-O 3.34Å; V159-Y187 HydrophobicContact CG1-CD1 4.47Å; V159-L291 HydrophobicContact CG1-CB 4.29Å; V159-L291 HydrophobicContact CG1-CD2 3.89Å; V159-L291 WeakPolarHBondContact CG1-O 3.28Å; V159-E294 HydrophobicContact CG1-CB 4.25Å; V159-E294 HydrophobicContact CG2-CB 4.45Å; V159-A295 HydrophobicContact CG1-CB 4.39Å; V159-L309 HydrophobicContact CB-CD1 4.37Å; V159-L309 HydrophobicContact CG2-CD1 3.89Å; V159-F310 PolarHBondContact N-O 2.63Å; V159-F311 HydrophobicContact CB-CD2 3.97Å; V159-F311 HydrophobicContact CB-CE2 4.41Å; V159-F311 HydrophobicContact CG1-CD2 4Å; V159-F311 HydrophobicContact CG1-CE2 3.92Å; V159-S312 PolarHBondContact O-N 2.98Å
160	G	98.4	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.4	-132.6	177.9	0	0	0	0	0	114.5	F186 Y187 G188 L189 S312	G160-F186 WeakPolarHBondContact O-CE2 3.15Å; G160-Y187 PolarHBondContact N-O 2.89Å; G160-G188 WeakPolarHBondContact O-CA 3.38Å; G160-L189 PolarHBondContact O-N 3.02Å; G160-S312 CarbonylContact C-O 3.04Å; G160-S312 WeakPolarHBondContact CA-O 3.25Å
161	K	98.5	Very high	97.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.9	-169.2	172.7	173.2	174.1	-178.4	0	113.5	D62 C102 H163 L189 F191 T192 S312	D62-K161 IonicContact OD1-NZ 3Å; D62-K161 PolarHBondContact OD1-NZ 2.99Å; D62-K161 WeakPolarHBondContact OD2-CD 3.34Å; D62-K161 WeakPolarHBondContact OD2-CE 3.16Å; D62-K161 IonicContact OD2-NZ 3.4Å; D62-K161 PolarHBondContact OD2-NZ 3.42Å; C102-K161 PolarHBondContact SG-NZ 3.18Å; K161-H163 WeakPolarHBondContact CE-ND1 3.36Å; K161-H163 HydrophobicContact CG-CB 4.19Å; K161-L189 HydrophobicContact CB-CD1 4.4Å; K161-L189 HydrophobicContact CB-CD2 4.39Å; K161-L189 HydrophobicContact CB-CG 4.22Å; K161-F191 WeakPolarHBondContact CG-O 3.37Å; K161-T192 VanDerWaalsContact CE-CB 3.47Å; K161-T192 VanDerWaalsContact CE-OG1 3.24Å; K161-T192 WeakPolarHBondContact CE-OG1 3.49Å; K161-T192 PolarHBondContact NZ-OG1 3.47Å; K161-S312 PolarHBondContact N-O 2.97Å; K161-S312 VanDerWaalsContact O-CB 3.25Å; K161-S312 WeakPolarHBondContact O-CB 2.97Å; K161-S312 PolarHBondContact O-OG 3.46Å
162	W	98.1	Very high	97.2	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.011	15%	0.154	C	C	.	.			trans	-102.2	-67.1	172.7	177.9	-131.6	0	0	0	112.7	M110 L138 L158 Q164 G165 H176 P178 H181 F183 L189	M110-W162 HydrophobicContact CE-CZ3 4.12Å; M110-W162 HydrophobicContact CG-CZ3 4.22Å; M110-W162 HydrophobicContact SD-CZ3 4.26Å; L138-W162 HydrophobicContact CD2-CH2 4.11Å; L138-W162 HydrophobicContact CD2-CZ2 4.35Å; L158-W162 HydrophobicContact CD1-CD2 4.49Å; L158-W162 HydrophobicContact CD1-CE3 3.58Å; L158-W162 HydrophobicContact CD1-CZ3 4.02Å; W162-Q164 HydrophobicContact CD2-CB 3.95Å; W162-Q164 HydrophobicContact CD2-CG 3.94Å; W162-Q164 VanDerWaalsContact CE2-CB 3.42Å; W162-Q164 HydrophobicContact CE3-CG 4.08Å; W162-Q164 HydrophobicContact CG-CB 4.41Å; W162-Q164 HydrophobicContact CH2-CB 4.23Å; W162-Q164 HydrophobicContact CH2-CG 3.98Å; W162-Q164 HydrophobicContact CZ2-CB 3.58Å; W162-Q164 HydrophobicContact CZ2-CG 3.85Å; W162-Q164 HydrophobicContact CZ3-CG 4.1Å; W162-Q164 PolarHBondContact O-N 3.16Å; W162-G165 PolarHBondContact NE1-O 3.27Å; W162-H176 PolarHBondContact NE1-O 3.08Å; W162-P178 HydrophobicContact CB-CG 4.01Å; W162-P178 HydrophobicContact CD2-CB 4.45Å; W162-P178 HydrophobicContact CD2-CG 3.62Å; W162-P178 HydrophobicContact CE3-CG 4.19Å; W162-P178 HydrophobicContact CG-CG 3.55Å; W162-H181 HydrophobicContact CH2-CB 4.14Å; W162-H181 HydrophobicContact CZ2-CB 4.23Å; W162-H181 AromaticContact CZ2-CD2 3.94Å; W162-F183 HydrophobicContact CZ3-CE2 4.1Å; W162-L189 PolarHBondContact N-O 3.48Å; W162-L189 VanDerWaalsContact N-O 3.08Å
163	H	97.6	Very high	97.1	Very high	1 Å²	1	26 Å²	26	1%	0.005	16%	0.156	C	C	.	.			trans	61	34.3	177.7	-155	-176.3	0	0	0	115.6	C102 T103 L129 K161 P190 F191	C102-H163 WeakPolarHBondContact CB-ND1 3.38Å; T103-H163 PolarHBondContact OG1-CD2 3.09Å; T103-H163 PolarHBondContact OG1-CE1 3.43Å; T103-H163 PolarHBondContact OG1-NE2 3.33Å; T103-H163 PolarHBondContact OG1-O 3.15Å; L129-H163 PolarHBondContact O-NE2 3Å; K161-H163 WeakPolarHBondContact CE-ND1 3.36Å; K161-H163 HydrophobicContact CG-CB 4.19Å; H163-P190 PolarHBondContact N-O 3Å; H163-F191 AromaticContact CD2-CD2 3.89Å; H163-F191 AromaticContact CD2-CE2 3.97Å; H163-F191 PolarHBondContact N-O 3.5Å; H163-F191 AromaticContact NE2-CE2 3.76Å
164	Q	98.1	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-124.9	26.5	175.9	-53.6	-66.3	-33	0	0	113.6	T103 A107 M120 G137 L138 W162 H176	T103-Q164 PolarHBondContact O-NE2 3.42Å; A107-Q164 VanDerWaalsContact N-NE2 3.13Å; M120-Q164 VanDerWaalsContact CE-OE1 3.27Å; G137-Q164 CarbonylContact C-O 3.56Å; G137-Q164 WeakPolarHBondContact CA-O 3.31Å; L138-Q164 HydrophobicContact CB-CB 3.81Å; L138-Q164 HydrophobicContact CB-CG 4.36Å; L138-Q164 PolarHBondContact N-O 2.87Å; W162-Q164 HydrophobicContact CD2-CB 3.95Å; W162-Q164 HydrophobicContact CD2-CG 3.94Å; W162-Q164 VanDerWaalsContact CE2-CB 3.42Å; W162-Q164 HydrophobicContact CE3-CG 4.08Å; W162-Q164 HydrophobicContact CG-CB 4.41Å; W162-Q164 HydrophobicContact CH2-CB 4.23Å; W162-Q164 HydrophobicContact CH2-CG 3.98Å; W162-Q164 HydrophobicContact CZ2-CB 3.58Å; W162-Q164 HydrophobicContact CZ2-CG 3.85Å; W162-Q164 HydrophobicContact CZ3-CG 4.1Å; W162-Q164 PolarHBondContact O-N 3.16Å; Q164-H176 WeakPolarHBondContact O-CB 3.17Å
165	G	97.3	Very high	97.1	Very high	9 Å²	9	25.6 Å²	25.6	9%	0.093	14%	0.143	C	C	.	.			trans	85.8	173	179.9	0	0	0	0	0	113.4	W162 H176	W162-G165 PolarHBondContact NE1-O 3.27Å; G165-H176 VanDerWaalsContact C-CB 3.48Å
166	V	97.3	Very high	97.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.134	C	C	.	.	S	Bend	trans	-130.6	-63.4	-179.6	-176.8	0	0	0	0	111.6	L132 H174 C175 H176 H177 P190 P601	L132-V166 HydrophobicContact CD2-CG2 3.67Å; V166-H174 CarbonylContact O-C 3.6Å; V166-H174 WeakPolarHBondContact O-CA 3.43Å; V166-C175 PolarHBondContact O-N 3.39Å; V166-H176 PolarHBondContact O-N 3Å; V166-H177 PolarHBondContact O-N 3.37Å; V166-P190 HydrophobicContact CG2-CB 3.55Å; V166-P190 HydrophobicContact CG2-CG 4.28Å; V166-P601 HydrophobicContact CG1-CG 4.17Å
167	N	97.6	Very high	97.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.134	C	C	.	.			trans	-115.2	159.6	-173.6	-61.6	-51	0	0	0	111.7	S135 G172 D173 H174 L599	S135-N167 WeakPolarHBondContact CA-O 3.37Å; N167-G172 PolarHBondContact OD1-N 3.17Å; N167-D173 WeakPolarHBondContact CA-OD1 3.29Å; N167-H174 PolarHBondContact OD1-N 3.12Å; N167-H174 VanDerWaalsContact OD1-N 3.1Å; N167-L599 HydrophobicContact CB-CB 4.47Å; N167-L599 HydrophobicContact CB-CD2 4.23Å; N167-L599 PolarHBondContact ND2-O 3.32Å
168	C	95.7	Very high	97	Very high	25 Å²	25	24.1 Å²	24.1	17%	0.169	13%	0.134	C	C	.	.	S	Bend	trans	-108.6	-57.9	178.7	-76.8	0	0	0	0	112	S135 D173 C175 H176	S135-C168 WeakPolarHBondContact CB-O 3.41Å; C168-D173 PolarHBondContact N-OD1 3.34Å; C168-D173 PolarHBondContact N-OD2 2.82Å; C168-C175 WeakPolarHBondContact CA-SG 3.1Å; C168-C175 HydrophobicContact CB-CB 3.86Å; C168-C175 WeakPolarHBondContact CB-SG 3.11Å; C168-C175 PolarHBondContact N-SG 3.04Å; C168-C175 WeakPolarHBondContact SG-CB 3.28Å; C168-C175 CovalentContact SG-SG 2Å; C168-C175 PolarHBondContact SG-SG 2.9Å; C168-H176 PolarHBondContact SG-NE2 3.06Å
169	E	95.9	Very high	97	Very high	163 Å²	163	25.5 Å²	25.5	76%	0.762	14%	0.142	S	C	*	.	S	Bend	trans	-122.5	-36.8	-167	-63	-173.3	169.3	0	0	111.9	D173 L599	E169-D173 PolarHBondContact N-OD2 3.02Å; E169-L599 WeakPolarHBondContact O-CD2 3.45Å
170	S	95.1	Very high	96.9	Very high	62 Å²	62	30 Å²	30	43%	0.434	16%	0.163	S	C	.	.	S	Bend	trans	-137.1	149.1	-178.8	68	0	0	0	0	112.2	G172 D173	S170-G172 PolarHBondContact O-N 3.26Å; S170-D173 PolarHBondContact N-OD2 3.39Å; S170-D173 VanDerWaalsContact O-CG 3.27Å; S170-D173 PolarHBondContact O-N 3.01Å
171	R	91.3	Very high	97	Very high	107 Å²	107	30.2 Å²	30.2	40%	0.404	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	108	168.1	175.9	-179.8	172.4	-173.5	-8.5	109.2	W598 Q600 C602	R171-W598 VanDerWaalsContact CB-O 3.25Å; R171-W598 WeakPolarHBondContact CB-O 3.37Å; R171-W598 PolarHBondContact N-O 3.34Å; R171-W598 VanDerWaalsContact N-O 3.09Å; R171-Q600 VanDerWaalsContact CD-O 3.3Å; R171-Q600 WeakPolarHBondContact CD-O 3.42Å; R171-C602 VanDerWaalsContact CZ-CB 3.45Å; R171-C602 VanDerWaalsContact NH2-CB 3.27Å; R171-C602 PolarHBondContact NH2-O 3.09Å
172	G	93.2	Very high	96.9	Very high	42 Å²	42	30.2 Å²	30.2	43%	0.433	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	114.9	-4.9	178	0	0	0	0	0	115	N167 S170 H174	N167-G172 PolarHBondContact OD1-N 3.17Å; S170-G172 PolarHBondContact O-N 3.26Å; G172-H174 VanDerWaalsContact C-CD2 3.48Å; G172-H174 PolarHBondContact O-CD2 2.9Å; G172-H174 PolarHBondContact O-N 2.85Å
173	D	96.3	Very high	97	Very high	45 Å²	45	30 Å²	30	24%	0.241	16%	0.163	C	C	.	.			trans	-70.1	-26.9	172.1	66.6	35.5	0	0	0	112.2	N167 C168 E169 S170 C175	N167-D173 WeakPolarHBondContact CA-OD1 3.29Å; C168-D173 PolarHBondContact N-OD1 3.34Å; C168-D173 PolarHBondContact N-OD2 2.82Å; E169-D173 PolarHBondContact N-OD2 3.02Å; S170-D173 PolarHBondContact N-OD2 3.39Å; S170-D173 VanDerWaalsContact O-CG 3.27Å; S170-D173 PolarHBondContact O-N 3.01Å; D173-C175 PolarHBondContact O-N 3.36Å; D173-C175 PolarHBondContact OD1-N 2.92Å; D173-C175 VanDerWaalsContact OD1-N 3.08Å
174	H	97.4	Very high	97	Very high	26 Å²	26	33.1 Å²	33.1	12%	0.12	19%	0.185	C	C	.	.			trans	50.5	27.6	177.6	-64.8	-63.9	0	0	0	113.6	V166 N167 G172 H176 H177 Q180 Q275	V166-H174 CarbonylContact O-C 3.6Å; V166-H174 WeakPolarHBondContact O-CA 3.43Å; N167-H174 PolarHBondContact OD1-N 3.12Å; N167-H174 VanDerWaalsContact OD1-N 3.1Å; G172-H174 VanDerWaalsContact C-CD2 3.48Å; G172-H174 PolarHBondContact O-CD2 2.9Å; G172-H174 PolarHBondContact O-N 2.85Å; H174-H176 PolarHBondContact O-N 3.15Å; H174-H177 HydrophobicContact CB-CB 3.67Å; H174-H177 WeakPolarHBondContact O-CB 3.47Å; H174-H177 PolarHBondContact O-N 3.01Å; H174-Q180 WeakPolarHBondContact O-CG 3.22Å; H174-Q275 HydrophobicContact CB-CG 4.2Å; H174-Q275 PolarHBondContact CE1-O 3.02Å
175	C	97.3	Very high	97	Very high	19 Å²	19	34.7 Å²	34.7	13%	0.128	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29	-168.5	68.9	0	0	0	0	113.9	P140 V166 C168 D173 H181	P140-C175 HydrophobicContact CG-CB 4.14Å; V166-C175 PolarHBondContact O-N 3.39Å; C168-C175 WeakPolarHBondContact CA-SG 3.1Å; C168-C175 HydrophobicContact CB-CB 3.86Å; C168-C175 WeakPolarHBondContact CB-SG 3.11Å; C168-C175 PolarHBondContact N-SG 3.04Å; C168-C175 WeakPolarHBondContact SG-CB 3.28Å; C168-C175 CovalentContact SG-SG 2Å; C168-C175 PolarHBondContact SG-SG 2.9Å; D173-C175 PolarHBondContact O-N 3.36Å; D173-C175 PolarHBondContact OD1-N 2.92Å; D173-C175 VanDerWaalsContact OD1-N 3.08Å; C175-H181 PolarHBondContact O-NE2 2.74Å
176	H	98.1	Very high	97.1	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-0.6	-178.5	-63.6	-51.1	0	0	0	112.4	S135 G137 L138 W162 Q164 G165 V166 C168 H174 H181	S135-H176 PolarHBondContact O-NE2 3.08Å; G137-H176 VanDerWaalsContact C-CE1 3.48Å; G137-H176 PolarHBondContact N-NE2 3.49Å; G137-H176 PolarHBondContact O-CE1 2.78Å; L138-H176 PolarHBondContact O-ND1 2.87Å; W162-H176 PolarHBondContact NE1-O 3.08Å; Q164-H176 WeakPolarHBondContact O-CB 3.17Å; G165-H176 VanDerWaalsContact C-CB 3.48Å; V166-H176 PolarHBondContact O-N 3Å; C168-H176 PolarHBondContact SG-NE2 3.06Å; H174-H176 PolarHBondContact O-N 3.15Å; H176-H181 PolarHBondContact O-CD2 3.06Å
177	H	98.4	Very high	97.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-66.7	147.2	-175.9	-169	-93.6	0	0	0	111.6	V166 H174 N179 Q180 H181 F186 N274	V166-H177 PolarHBondContact O-N 3.37Å; H174-H177 HydrophobicContact CB-CB 3.67Å; H174-H177 WeakPolarHBondContact O-CB 3.47Å; H174-H177 PolarHBondContact O-N 3.01Å; H177-N179 PolarHBondContact CE1-OD1 3.36Å; H177-N179 PolarHBondContact ND1-N 3.3Å; H177-N179 PolarHBondContact ND1-OD1 3.36Å; H177-N179 PolarHBondContact O-N 3.49Å; H177-Q180 PolarHBondContact O-N 3.48Å; H177-H181 PolarHBondContact O-CD2 2.97Å; H177-H181 PolarHBondContact O-N 3.12Å; H177-F186 AromaticContact CE1-CD1 3.49Å; H177-F186 VanDerWaalsContact CE1-CD1 3.49Å; H177-F186 WeakPolarHBondContact CE1-CD1 3.38Å; H177-F186 AromaticContact NE2-CD1 3.4Å; H177-F186 WeakPolarHBondContact NE2-CD1 3.34Å; H177-F186 AromaticContact NE2-CE1 3.67Å; H177-N274 PolarHBondContact CE1-O 3.15Å; H177-N274 PolarHBondContact NE2-O 2.89Å
178	P	98.4	Very high	97.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-37	178.7	-29.2	33.7	0	0	0	114.2	L158 W162 Q180 H181 G182 F183 F186	L158-P178 HydrophobicContact CD1-CB 4.39Å; L158-P178 HydrophobicContact CD1-CG 4.48Å; W162-P178 HydrophobicContact CB-CG 4.01Å; W162-P178 HydrophobicContact CD2-CB 4.45Å; W162-P178 HydrophobicContact CD2-CG 3.62Å; W162-P178 HydrophobicContact CE3-CG 4.19Å; W162-P178 HydrophobicContact CG-CG 3.55Å; P178-Q180 VanDerWaalsContact C-N 3.28Å; P178-Q180 PolarHBondContact O-N 2.75Å; P178-H181 CarbonylContact O-C 3.55Å; P178-H181 WeakPolarHBondContact O-CA 3.3Å; P178-H181 PolarHBondContact O-N 2.87Å; P178-G182 PolarHBondContact O-N 3.1Å; P178-F183 HydrophobicContact CB-CB 4.21Å; P178-F183 HydrophobicContact CB-CD2 3.98Å; P178-F183 HydrophobicContact CB-CG 4.44Å; P178-F183 PolarHBondContact O-N 3.43Å; P178-F186 HydrophobicContact CB-CB 4.23Å; P178-F186 HydrophobicContact CB-CD2 4.36Å; P178-F186 HydrophobicContact CB-CG 4.18Å; P178-F186 HydrophobicContact CG-CD1 4.11Å; P178-F186 HydrophobicContact CG-CD2 4Å; P178-F186 HydrophobicContact CG-CE1 4.25Å; P178-F186 HydrophobicContact CG-CE2 4.21Å; P178-F186 HydrophobicContact CG-CG 3.96Å; P178-F186 HydrophobicContact CG-CZ 4.32Å
179	N	98	Very high	97.2	Very high	30 Å²	30	33.1 Å²	33.1	16%	0.16	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.1	178.3	-61.6	119.9	0	0	0	114.1	H177 H181 F183 N274	H177-N179 PolarHBondContact CE1-OD1 3.36Å; H177-N179 PolarHBondContact ND1-N 3.3Å; H177-N179 PolarHBondContact ND1-OD1 3.36Å; H177-N179 PolarHBondContact O-N 3.49Å; N179-H181 VanDerWaalsContact C-N 3.33Å; N179-F183 VanDerWaalsContact CA-O 3.27Å; N179-F183 WeakPolarHBondContact CA-O 3.21Å; N179-F183 PolarHBondContact ND2-O 2.76Å; N179-N274 PolarHBondContact ND2-OD1 2.75Å; N179-N274 WeakPolarHBondContact OD1-CA 3.32Å; N179-N274 WeakPolarHBondContact OD1-CB 3.4Å
180	Q	97.9	Very high	97.1	Very high	94 Å²	94	25.4 Å²	25.4	44%	0.439	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-21.4	172.7	-58.3	-55.6	-16.6	0	0	112.2	H174 H177 P178 Q275	H174-Q180 WeakPolarHBondContact O-CG 3.22Å; H177-Q180 PolarHBondContact O-N 3.48Å; P178-Q180 VanDerWaalsContact C-N 3.28Å; P178-Q180 PolarHBondContact O-N 2.75Å; Q180-Q275 VanDerWaalsContact NE2-NE2 3.14Å
181	H	98.5	Very high	96.9	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.019	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	30.4	179.3	-68	-76.8	0	0	0	113.5	L138 P139 T144 W162 C175 H176 H177 P178 N179	L138-H181 PolarHBondContact O-CE1 2.9Å; L138-H181 VanDerWaalsContact O-CE1 3.27Å; L138-H181 PolarHBondContact O-NE2 2.83Å; L138-H181 VanDerWaalsContact O-NE2 3.16Å; P139-H181 PolarHBondContact O-CE1 3.2Å; T144-H181 HydrophobicContact CG2-CB 3.91Å; T144-H181 PolarHBondContact OG1-O 2.93Å; W162-H181 HydrophobicContact CH2-CB 4.14Å; W162-H181 HydrophobicContact CZ2-CB 4.23Å; W162-H181 AromaticContact CZ2-CD2 3.94Å; C175-H181 PolarHBondContact O-NE2 2.74Å; H176-H181 PolarHBondContact O-CD2 3.06Å; H177-H181 PolarHBondContact O-CD2 2.97Å; H177-H181 PolarHBondContact O-N 3.12Å; P178-H181 CarbonylContact O-C 3.55Å; P178-H181 WeakPolarHBondContact O-CA 3.3Å; P178-H181 PolarHBondContact O-N 2.87Å; N179-H181 VanDerWaalsContact C-N 3.33Å
182	G	98.3	Very high	97	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	5.7	166.1	0	0	0	0	0	116	Q150 T156 P178	Q150-G182 PolarHBondContact NE2-O 3.36Å; T156-G182 WeakPolarHBondContact CB-O 3.34Å; T156-G182 PolarHBondContact OG1-O 2.93Å; P178-G182 PolarHBondContact O-N 3.1Å
183	F	98.7	Very high	96.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.			trans	-89.1	111.9	169.9	-65.9	-77.3	0	0	0	110.6	M110 F145 A146 T156 L158 W162 P178 N179 Y185 L308 F310	M110-F183 HydrophobicContact CE-CE2 4.24Å; M110-F183 HydrophobicContact CE-CZ 3.92Å; M110-F183 HydrophobicContact SD-CE2 4.1Å; M110-F183 HydrophobicContact SD-CZ 4.02Å; F145-F183 HydrophobicContact CE2-CZ 4.32Å; A146-F183 HydrophobicContact CB-CD1 3.86Å; A146-F183 HydrophobicContact CB-CD2 3.96Å; A146-F183 HydrophobicContact CB-CE1 3.54Å; A146-F183 HydrophobicContact CB-CE2 3.63Å; A146-F183 HydrophobicContact CB-CG 4.08Å; A146-F183 HydrophobicContact CB-CZ 3.41Å; A146-F183 VanDerWaalsContact CB-CZ 3.41Å; T156-F183 WeakPolarHBondContact OG1-CA 3.47Å; L158-F183 HydrophobicContact CB-CB 4.34Å; L158-F183 HydrophobicContact CB-CD1 3.72Å; L158-F183 HydrophobicContact CB-CD2 4.23Å; L158-F183 HydrophobicContact CB-CE1 3.99Å; L158-F183 HydrophobicContact CB-CE2 4.48Å; L158-F183 HydrophobicContact CB-CG 3.84Å; L158-F183 HydrophobicContact CB-CZ 4.36Å; L158-F183 HydrophobicContact CD1-CD2 4.06Å; L158-F183 HydrophobicContact CD1-CE1 4.42Å; L158-F183 HydrophobicContact CD1-CE2 3.77Å; L158-F183 HydrophobicContact CD1-CZ 3.95Å; W162-F183 HydrophobicContact CZ3-CE2 4.1Å; P178-F183 HydrophobicContact CB-CB 4.21Å; P178-F183 HydrophobicContact CB-CD2 3.98Å; P178-F183 HydrophobicContact CB-CG 4.44Å; P178-F183 PolarHBondContact O-N 3.43Å; N179-F183 VanDerWaalsContact CA-O 3.27Å; N179-F183 WeakPolarHBondContact CA-O 3.21Å; N179-F183 PolarHBondContact ND2-O 2.76Å; F183-Y185 PolarHBondContact O-N 3.41Å; F183-L308 HydrophobicContact CE1-CD2 4.03Å; F183-F310 HydrophobicContact CE1-CB 3.85Å; F183-F310 HydrophobicContact CZ-CB 4.15Å; F183-F310 HydrophobicContact CZ-CD1 4.17Å
184	S	97.9	Very high	96.5	Very high	65 Å²	65	14.5 Å²	14.5	46%	0.455	8%	0.076	S	C	.	.	S	Bend	trans	-68.8	-21.9	178.1	-59	0	0	0	0	112.9	Q150 T156	Q150-S184 PolarHBondContact NE2-OG 3.35Å; Q150-S184 VanDerWaalsContact NE2-OG 3.07Å; T156-S184 WeakPolarHBondContact O-CA 3.04Å; T156-S184 PolarHBondContact O-N 2.66Å; T156-S184 PolarHBondContact OG1-N 3.19Å; T156-S184 PolarHBondContact OG1-OG 3.08Å
185	Y	98.7	Very high	96.1	Very high	34 Å²	34	13.7 Å²	13.7	13%	0.133	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138.3	175.4	176	-102.6	0	0	0	110.9	T156 G157 L158 V159 F183 Y187 N274 E294 F298	T156-Y185 PolarHBondContact O-N 2.89Å; G157-Y185 CarbonylContact C-O 3.56Å; G157-Y185 WeakPolarHBondContact CA-O 3.46Å; L158-Y185 PolarHBondContact N-O 2.84Å; V159-Y185 HydrophobicContact CG2-CE1 4.24Å; F183-Y185 PolarHBondContact O-N 3.41Å; Y185-Y187 WeakPolarHBondContact OH-CB 3.47Å; Y185-N274 WeakPolarHBondContact CA-OD1 3.31Å; Y185-E294 PolarHBondContact OH-OE1 2.67Å; Y185-E294 PolarHBondContact OH-OE2 3.1Å; Y185-F298 AromaticContact CD1-CD2 3.84Å; Y185-F298 HydrophobicContact CD1-CD2 3.84Å; Y185-F298 HydrophobicContact CD1-CE2 4.34Å; Y185-F298 HydrophobicContact CG-CD2 4.34Å
186	F	98.8	Very high	95.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.8	171.1	172.2	-127.1	0	0	0	111	L158 G160 H177 P178 M272 R273 N274	L158-F186 HydrophobicContact CB-CD2 4.13Å; L158-F186 HydrophobicContact CD2-CD2 3.44Å; L158-F186 VanDerWaalsContact CD2-CD2 3.44Å; L158-F186 HydrophobicContact CD2-CE2 3.39Å; L158-F186 HydrophobicContact CG-CD2 4.32Å; L158-F186 WeakPolarHBondContact O-CA 3.33Å; G160-F186 WeakPolarHBondContact O-CE2 3.15Å; H177-F186 AromaticContact CE1-CD1 3.49Å; H177-F186 VanDerWaalsContact CE1-CD1 3.49Å; H177-F186 WeakPolarHBondContact CE1-CD1 3.38Å; H177-F186 AromaticContact NE2-CD1 3.4Å; H177-F186 WeakPolarHBondContact NE2-CD1 3.34Å; H177-F186 AromaticContact NE2-CE1 3.67Å; P178-F186 HydrophobicContact CB-CB 4.23Å; P178-F186 HydrophobicContact CB-CD2 4.36Å; P178-F186 HydrophobicContact CB-CG 4.18Å; P178-F186 HydrophobicContact CG-CD1 4.11Å; P178-F186 HydrophobicContact CG-CD2 4Å; P178-F186 HydrophobicContact CG-CE1 4.25Å; P178-F186 HydrophobicContact CG-CE2 4.21Å; P178-F186 HydrophobicContact CG-CG 3.96Å; P178-F186 HydrophobicContact CG-CZ 4.32Å; F186-M272 HydrophobicContact CD1-CB 4.21Å; F186-M272 HydrophobicContact CE1-CB 3.72Å; F186-R273 CarbonylContact O-C 3.45Å; F186-R273 WeakPolarHBondContact O-CA 3.34Å; F186-N274 PolarHBondContact N-OD1 3.49Å; F186-N274 PolarHBondContact O-N 2.88Å
187	Y	98.6	Very high	95.6	Very high	2 Å²	2	14 Å²	14	1%	0.008	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	121.2	165.7	-179.8	-89.4	0	0	0	110.2	L158 V159 G160 Y185 I271 M272 R273 I278 R290 L291 E294 E613	L158-Y187 PolarHBondContact O-N 3.44Å; V159-Y187 CarbonylContact C-O 3.56Å; V159-Y187 VanDerWaalsContact CA-O 3.26Å; V159-Y187 WeakPolarHBondContact CA-O 3.34Å; V159-Y187 HydrophobicContact CG1-CD1 4.47Å; G160-Y187 PolarHBondContact N-O 2.89Å; Y185-Y187 WeakPolarHBondContact OH-CB 3.47Å; Y187-I271 HydrophobicContact CE2-CG2 4.21Å; Y187-M272 WeakPolarHBondContact CA-O 3.39Å; Y187-R273 HydrophobicContact CD2-CB 4.32Å; Y187-R273 HydrophobicContact CD2-CG 4.43Å; Y187-I278 HydrophobicContact CD2-CD1 4.29Å; Y187-I278 HydrophobicContact CE2-CD1 3.69Å; Y187-R290 HydrophobicContact CE1-CB 4.28Å; Y187-R290 PolarHBondContact OH-NE 3.34Å; Y187-R290 PolarHBondContact OH-NH2 3.2Å; Y187-L291 HydrophobicContact CD1-CD2 3.9Å; Y187-L291 HydrophobicContact CE1-CD2 4.01Å; Y187-E294 HydrophobicContact CD1-CB 3.98Å; Y187-E294 HydrophobicContact CD1-CG 3.66Å; Y187-E294 HydrophobicContact CD2-CG 4.01Å; Y187-E294 HydrophobicContact CE1-CB 4.47Å; Y187-E294 HydrophobicContact CE1-CG 3.83Å; Y187-E294 HydrophobicContact CE2-CG 4.16Å; Y187-E294 HydrophobicContact CG-CB 4.21Å; Y187-E294 HydrophobicContact CG-CG 3.74Å; Y187-E613 WeakPolarHBondContact CE2-OE1 3.4Å; Y187-E613 PolarHBondContact OH-OE1 2.91Å; Y187-E613 PolarHBondContact OH-OE2 2.74Å
188	G	97.4	Very high	95.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149	-149.5	174.5	0	0	0	0	0	113	G160 I271 M272	G160-G188 WeakPolarHBondContact O-CA 3.38Å; G188-I271 WeakPolarHBondContact O-CA 3.26Å; G188-M272 PolarHBondContact N-O 3.21Å; G188-M272 PolarHBondContact O-N 3.39Å
189	L	96.2	Very high	94.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.6	-174.9	54.5	154.3	0	0	0	109.5	G160 K161 W162 F191 T192 M282 L287 A314	G160-L189 PolarHBondContact O-N 3.02Å; K161-L189 HydrophobicContact CB-CD1 4.4Å; K161-L189 HydrophobicContact CB-CD2 4.39Å; K161-L189 HydrophobicContact CB-CG 4.22Å; W162-L189 PolarHBondContact N-O 3.48Å; W162-L189 VanDerWaalsContact N-O 3.08Å; L189-F191 PolarHBondContact O-N 2.85Å; L189-T192 VanDerWaalsContact CD1-C 3.5Å; L189-M282 HydrophobicContact CB-CE 4.49Å; L189-L287 HydrophobicContact CD2-CD2 4.38Å; L189-A314 HydrophobicContact CD2-CB 4.09Å
190	P	94.7	Very high	94.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	14%	0.144	C	C	.	.	S	Bend	trans	-63.7	-20	175.6	26.6	-36.8	0	0	0	112.6	L132 H163 V166 I270 M272	L132-P190 HydrophobicContact CD1-CG 3.84Å; L132-P190 HydrophobicContact CD2-CB 4.03Å; L132-P190 HydrophobicContact CD2-CG 3.84Å; H163-P190 PolarHBondContact N-O 3Å; V166-P190 HydrophobicContact CG2-CB 3.55Å; V166-P190 HydrophobicContact CG2-CG 4.28Å; P190-I270 HydrophobicContact CG-CD1 3.99Å; P190-I270 HydrophobicContact CG-CG1 3.84Å; P190-M272 HydrophobicContact CB-SD 3.85Å; P190-M272 HydrophobicContact CG-CG 4.03Å; P190-M272 HydrophobicContact CG-SD 3.54Å; P190-M272 VanDerWaalsContact CG-SD 3.54Å
191	F	91.5	Very high	93.6	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.026	13%	0.131	C	C	.	.	S	Bend	trans	-102.5	-138.7	-178.1	-164.8	-139	0	0	0	112.3	L129 L130 L132 K161 H163 L189 F194 N268	L129-F191 HydrophobicContact CB-CE2 4.25Å; L129-F191 WeakPolarHBondContact O-CE2 3.48Å; L129-F191 WeakPolarHBondContact O-CZ 3.19Å; L130-F191 VanDerWaalsContact O-CZ 3.29Å; L130-F191 WeakPolarHBondContact O-CZ 3.36Å; L132-F191 HydrophobicContact CD1-CB 4.18Å; L132-F191 HydrophobicContact CD2-CB 3.61Å; L132-F191 HydrophobicContact CD2-CD2 4.34Å; L132-F191 HydrophobicContact CD2-CG 4.17Å; L132-F191 HydrophobicContact CG-CB 3.82Å; L132-F191 HydrophobicContact CG-CG 4.16Å; K161-F191 WeakPolarHBondContact CG-O 3.37Å; H163-F191 AromaticContact CD2-CD2 3.89Å; H163-F191 AromaticContact CD2-CE2 3.97Å; H163-F191 PolarHBondContact N-O 3.5Å; H163-F191 AromaticContact NE2-CE2 3.76Å; L189-F191 PolarHBondContact O-N 2.85Å; F191-F194 HydrophobicContact CD1-CD2 4.19Å; F191-F194 HydrophobicContact CD1-CE2 4.33Å; F191-F194 AromaticContact CE1-CD2 3.37Å; F191-F194 HydrophobicContact CE1-CD2 3.37Å; F191-F194 AromaticContact CE1-CE2 3.37Å; F191-F194 HydrophobicContact CE1-CE2 3.37Å; F191-F194 HydrophobicContact CE2-CE2 4.25Å; F191-F194 AromaticContact CZ-CD2 3.85Å; F191-F194 HydrophobicContact CZ-CD2 3.85Å; F191-F194 AromaticContact CZ-CE2 3.32Å; F191-F194 HydrophobicContact CZ-CE2 3.32Å; F191-F194 HydrophobicContact CZ-CZ 4.44Å; F191-N268 HydrophobicContact CD1-CB 4.01Å; F191-N268 HydrophobicContact CE1-CB 4.09Å
192	T	92.2	Very high	93	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	15%	0.154	C	C	.	.			trans	-130.9	165.5	169.5	-173.9	0	0	0	0	109.2	K161 L189 F194	K161-T192 VanDerWaalsContact CE-CB 3.47Å; K161-T192 VanDerWaalsContact CE-OG1 3.24Å; K161-T192 WeakPolarHBondContact CE-OG1 3.49Å; K161-T192 PolarHBondContact NZ-OG1 3.47Å; L189-T192 VanDerWaalsContact CD1-C 3.5Å; T192-F194 HydrophobicContact CG2-CD2 3.43Å; T192-F194 VanDerWaalsContact CG2-CD2 3.43Å; T192-F194 HydrophobicContact CG2-CE1 4.14Å; T192-F194 HydrophobicContact CG2-CE2 2.93Å; T192-F194 HydrophobicContact CG2-CG 4.23Å; T192-F194 HydrophobicContact CG2-CZ 3.34Å
193	L	90.6	Very high	92.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	16%	0.161	C	C	.	.			trans	-74.8	141.1	167.5	-149.3	67.3	0	0	0	108.8	C197 M282 V284 H317 T318 P319 F321	L193-C197 HydrophobicContact CD1-CB 4.4Å; L193-M282 HydrophobicContact CD1-CE 4.01Å; L193-M282 HydrophobicContact CD1-SD 3.94Å; L193-V284 HydrophobicContact CD1-CG2 4.41Å; L193-H317 PolarHBondContact O-CE1 3.24Å; L193-H317 PolarHBondContact O-ND1 2.93Å; L193-T318 CarbonylContact C-O 3.56Å; L193-P319 HydrophobicContact CD2-CG 4.17Å; L193-P319 WeakPolarHBondContact CD2-O 3.46Å; L193-P319 HydrophobicContact CG-CG 4.18Å; L193-F321 HydrophobicContact CD2-CE1 4.46Å; L193-F321 HydrophobicContact CD2-CE2 4.29Å; L193-F321 HydrophobicContact CD2-CZ 3.92Å
194	F	89.3	Confident	91.8	Very high	21 Å²	21	24.7 Å²	24.7	9%	0.092	17%	0.172	C	C	.	.			trans	-144.9	159	171.7	-78	-63.6	0	0	0	109	F191 T192 D196 C197 D204 V205 H317 P319	F191-F194 HydrophobicContact CD1-CD2 4.19Å; F191-F194 HydrophobicContact CD1-CE2 4.33Å; F191-F194 AromaticContact CE1-CD2 3.37Å; F191-F194 HydrophobicContact CE1-CD2 3.37Å; F191-F194 AromaticContact CE1-CE2 3.37Å; F191-F194 HydrophobicContact CE1-CE2 3.37Å; F191-F194 HydrophobicContact CE2-CE2 4.25Å; F191-F194 AromaticContact CZ-CD2 3.85Å; F191-F194 HydrophobicContact CZ-CD2 3.85Å; F191-F194 AromaticContact CZ-CE2 3.32Å; F191-F194 HydrophobicContact CZ-CE2 3.32Å; F191-F194 HydrophobicContact CZ-CZ 4.44Å; T192-F194 HydrophobicContact CG2-CD2 3.43Å; T192-F194 VanDerWaalsContact CG2-CD2 3.43Å; T192-F194 HydrophobicContact CG2-CE1 4.14Å; T192-F194 HydrophobicContact CG2-CE2 2.93Å; T192-F194 HydrophobicContact CG2-CG 4.23Å; T192-F194 HydrophobicContact CG2-CZ 3.34Å; F194-D196 PolarHBondContact O-N 3.44Å; F194-D196 VanDerWaalsContact O-N 3.08Å; F194-C197 VanDerWaalsContact O-CB 3.28Å; F194-C197 WeakPolarHBondContact O-CB 3.23Å; F194-C197 PolarHBondContact O-N 2.93Å; F194-C197 PolarHBondContact O-SG 3.12Å; F194-D204 HydrophobicContact CB-CB 4.33Å; F194-D204 HydrophobicContact CD1-CB 3.57Å; F194-D204 HydrophobicContact CE1-CB 4.21Å; F194-D204 HydrophobicContact CG-CB 4.22Å; F194-V205 HydrophobicContact CD2-CG2 4.46Å; F194-H317 AromaticContact CD1-CE1 3.98Å; F194-P319 WeakPolarHBondContact O-CD 3.49Å
195	N	89.6	Confident	91.3	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.043	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-55.3	-31.5	-175.3	-72.5	-38	0	0	0	112.1	C197 V198 E201 G202 D204	N195-C197 PolarHBondContact O-N 2.74Å; N195-V198 PolarHBondContact O-N 2.84Å; N195-V198 VanDerWaalsContact O-N 3.08Å; N195-E201 HydrophobicContact CB-CB 3.98Å; N195-G202 CarbonylContact C-O 3.25Å; N195-G202 VanDerWaalsContact C-O 3.25Å; N195-D204 VanDerWaalsContact CB-OD2 3.22Å; N195-D204 WeakPolarHBondContact CB-OD2 3.19Å; N195-D204 PolarHBondContact N-OD2 3.3Å; N195-D204 VanDerWaalsContact ND2-CG 3.28Å; N195-D204 PolarHBondContact ND2-OD1 3.5Å; N195-D204 PolarHBondContact ND2-OD2 3.42Å
196	D	91.3	Very high	90.8	Very high	26 Å²	26	20.7 Å²	20.7	14%	0.139	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-56.8	-21.6	174.1	-59.1	-97.3	0	0	0	114.4	F194 V198 G202 S203 D204 L264 R265	F194-D196 PolarHBondContact O-N 3.44Å; F194-D196 VanDerWaalsContact O-N 3.08Å; D196-V198 VanDerWaalsContact C-N 3.32Å; D196-G202 PolarHBondContact N-O 2.75Å; D196-S203 VanDerWaalsContact CG-OG 3.28Å; D196-S203 WeakPolarHBondContact OD1-CB 3.48Å; D196-S203 PolarHBondContact OD1-OG 3.01Å; D196-S203 WeakPolarHBondContact OD2-CA 3.22Å; D196-S203 PolarHBondContact OD2-OG 2.91Å; D196-D204 PolarHBondContact OD2-N 3.48Å; D196-L264 HydrophobicContact CB-CB 4.27Å; D196-L264 WeakPolarHBondContact OD1-CD1 3.28Å; D196-R265 WeakPolarHBondContact O-CB 3.45Å
197	C	92	Very high	90.3	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.02	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-73.1	-24.6	179	-61.9	0	0	0	0	113.4	L193 F194 N195 R265 C269 V284	L193-C197 HydrophobicContact CD1-CB 4.4Å; F194-C197 VanDerWaalsContact O-CB 3.28Å; F194-C197 WeakPolarHBondContact O-CB 3.23Å; F194-C197 PolarHBondContact O-N 2.93Å; F194-C197 PolarHBondContact O-SG 3.12Å; N195-C197 PolarHBondContact O-N 2.74Å; C197-R265 PolarHBondContact O-NE 3.11Å; C197-R265 VanDerWaalsContact O-NE 3.17Å; C197-C269 WeakPolarHBondContact CA-SG 3.39Å; C197-C269 HydrophobicContact CB-CB 3.75Å; C197-C269 WeakPolarHBondContact CB-SG 3.32Å; C197-C269 WeakPolarHBondContact SG-CB 3.28Å; C197-C269 CovalentContact SG-SG 2.04Å; C197-C269 PolarHBondContact SG-SG 2.91Å; C197-V284 HydrophobicContact CB-CG2 4.46Å
198	V	90.9	Very high	89.8	Confident	29 Å²	29	26.7 Å²	26.7	18%	0.176	18%	0.181	C	C	.	.	S	Bend	trans	-119.5	117.3	-178	179.6	0	0	0	0	109.6	N195 D196 G200 E201 V284 P319	N195-V198 PolarHBondContact O-N 2.84Å; N195-V198 VanDerWaalsContact O-N 3.08Å; D196-V198 VanDerWaalsContact C-N 3.32Å; V198-G200 PolarHBondContact O-N 2.93Å; V198-E201 HydrophobicContact CB-CB 4.46Å; V198-E201 HydrophobicContact CB-CG 3.87Å; V198-E201 HydrophobicContact CG1-CG 3.8Å; V198-E201 PolarHBondContact O-N 2.86Å; V198-V284 HydrophobicContact CG2-CB 4.14Å; V198-V284 HydrophobicContact CG2-CG1 4.05Å; V198-V284 HydrophobicContact CG2-CG2 3.9Å; V198-P319 HydrophobicContact CB-CB 4.31Å; V198-P319 HydrophobicContact CB-CG 4.04Å; V198-P319 HydrophobicContact CG2-CB 4.14Å; V198-P319 HydrophobicContact CG2-CG 3.59Å
199	P	88.9	Confident	89.4	Confident	88 Å²	88	29.9 Å²	29.9	57%	0.571	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	128.4	177.8	-25.2	34.6	0	0	0	112.1	R265	P199-R265 VanDerWaalsContact CG-NH1 3.26Å
200	G	85.4	Confident	89.1	Confident	86 Å²	86	30.6 Å²	30.6	89%	0.887	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	97	-10.9	177.6	0	0	0	0	0	115.4	V198 G202	V198-G200 PolarHBondContact O-N 2.93Å; G200-G202 VanDerWaalsContact C-N 3.34Å
201	E	86.4	Confident	88.9	Confident	37 Å²	37	34.3 Å²	34.3	17%	0.173	22%	0.221	C	C	.	.	S	Bend	trans	-83.8	-9.8	177.6	-66.3	-74.5	-179.2	0	0	113.2	N195 V198 P319 R334 K384	N195-E201 HydrophobicContact CB-CB 3.98Å; V198-E201 HydrophobicContact CB-CB 4.46Å; V198-E201 HydrophobicContact CB-CG 3.87Å; V198-E201 HydrophobicContact CG1-CG 3.8Å; V198-E201 PolarHBondContact O-N 2.86Å; E201-P319 HydrophobicContact CB-CB 4.13Å; E201-P319 HydrophobicContact CG-CB 3.79Å; E201-R334 IonicContact OE1-CZ 3.8Å; E201-R334 VanDerWaalsContact OE1-CZ 3.31Å; E201-R334 IonicContact OE1-NH1 2.69Å; E201-R334 PolarHBondContact OE1-NH1 3.15Å; E201-R334 IonicContact OE1-NH2 3.85Å; E201-R334 PolarHBondContact OE1-NH2 2.84Å; E201-R334 IonicContact OE2-NH1 2.95Å; E201-K384 IonicContact OE2-NZ 2.75Å
202	G	85.6	Confident	89	Confident	48 Å²	48	36.8 Å²	36.8	50%	0.495	24%	0.242	S	C	.	.			trans	101	-162.2	179.4	0	0	0	0	0	113	N195 D196 G200	N195-G202 CarbonylContact C-O 3.25Å; N195-G202 VanDerWaalsContact C-O 3.25Å; D196-G202 PolarHBondContact N-O 2.75Å; G200-G202 VanDerWaalsContact C-N 3.34Å
203	S	86	Confident	89	Confident	22 Å²	22	38.3 Å²	38.3	15%	0.154	25%	0.25	C	C	.	.			trans	-128.6	144.9	177.9	-172.1	0	0	0	0	110.1	D196 V207 Q210 R512	D196-S203 VanDerWaalsContact CG-OG 3.28Å; D196-S203 WeakPolarHBondContact OD1-CB 3.48Å; D196-S203 PolarHBondContact OD1-OG 3.01Å; D196-S203 WeakPolarHBondContact OD2-CA 3.22Å; D196-S203 PolarHBondContact OD2-OG 2.91Å; S203-V207 WeakPolarHBondContact O-CG2 3.37Å; S203-Q210 PolarHBondContact OG-NE2 3.02Å; S203-R512 PolarHBondContact O-NH1 3.41Å
204	D	85.9	Confident	89	Confident	42 Å²	42	41.1 Å²	41.1	23%	0.225	26%	0.263	C	S	.	.			trans	-115.9	-17	177.3	-60.8	-38.7	0	0	0	112.6	F194 N195 D196 L206 R512	F194-D204 HydrophobicContact CB-CB 4.33Å; F194-D204 HydrophobicContact CD1-CB 3.57Å; F194-D204 HydrophobicContact CE1-CB 4.21Å; F194-D204 HydrophobicContact CG-CB 4.22Å; N195-D204 VanDerWaalsContact CB-OD2 3.22Å; N195-D204 WeakPolarHBondContact CB-OD2 3.19Å; N195-D204 PolarHBondContact N-OD2 3.3Å; N195-D204 VanDerWaalsContact ND2-CG 3.28Å; N195-D204 PolarHBondContact ND2-OD1 3.5Å; N195-D204 PolarHBondContact ND2-OD2 3.42Å; D196-D204 PolarHBondContact OD2-N 3.48Å; D204-L206 PolarHBondContact O-N 3.19Å; D204-R512 IonicContact OD1-NH1 2.68Å
205	V	87.7	Confident	89.3	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	28%	0.283	C	S	.	.	S	Bend	trans	-89.6	101.5	-171.5	-178.7	0	0	0	0	111.2	L130 F131 F194 V207 Q210 L264	L130-V205 HydrophobicContact CB-CG1 4.22Å; F131-V205 HydrophobicContact CE1-CG1 3.87Å; F131-V205 HydrophobicContact CE2-CG1 4.11Å; F131-V205 HydrophobicContact CZ-CG1 3.54Å; F194-V205 HydrophobicContact CD2-CG2 4.46Å; V205-V207 VanDerWaalsContact C-N 3.32Å; V205-V207 PolarHBondContact O-N 3.36Å; V205-Q210 PolarHBondContact O-NE2 2.95Å; V205-L264 HydrophobicContact CB-CD1 3.97Å; V205-L264 HydrophobicContact CG1-CD1 4.45Å; V205-L264 HydrophobicContact CG1-CD2 4.37Å; V205-L264 HydrophobicContact CG2-CD1 4.38Å
206	L	88.3	Confident	89.5	Confident	13 Å²	13	49 Å²	49	7%	0.068	30%	0.302	C	S	.	.	S	Bend	trans	55.6	39.4	174.8	-54.4	177.8	0	0	0	114.1	V126 L130 F131 D204 D208 L209 Q210 F261 W590	V126-L206 HydrophobicContact CG2-CD2 3.89Å; L130-L206 HydrophobicContact CD1-CD1 4.41Å; L130-L206 HydrophobicContact CD1-CD2 3.59Å; L130-L206 HydrophobicContact CD1-CG 3.8Å; F131-L206 HydrophobicContact CE2-CD1 4.12Å; F131-L206 HydrophobicContact CZ-CD1 4.17Å; D204-L206 PolarHBondContact O-N 3.19Å; L206-D208 PolarHBondContact O-N 2.87Å; L206-D208 VanDerWaalsContact O-N 3.12Å; L206-L209 HydrophobicContact CB-CB 4.15Å; L206-L209 HydrophobicContact CD1-CD2 4.09Å; L206-L209 WeakPolarHBondContact O-CA 3.36Å; L206-L209 WeakPolarHBondContact O-CB 3.49Å; L206-L209 PolarHBondContact O-N 3.34Å; L206-Q210 WeakPolarHBondContact O-CG 3.38Å; L206-Q210 PolarHBondContact O-N 2.99Å; L206-F261 HydrophobicContact CB-CE1 4.2Å; L206-F261 HydrophobicContact CB-CZ 4.47Å; L206-F261 HydrophobicContact CD1-CE1 4.46Å; L206-F261 HydrophobicContact CD1-CZ 4.42Å; L206-W590 HydrophobicContact CD1-CZ3 4.38Å; L206-W590 HydrophobicContact CD2-CH2 3.99Å; L206-W590 HydrophobicContact CD2-CZ3 4.34Å
207	V	87.8	Confident	89.6	Confident	43 Å²	43	49 Å²	49	26%	0.261	30%	0.303	S	S	.	.	H	α-helix	trans	-49.9	-39.8	-173.4	-177.1	0	0	0	0	114	S203 V205 Q210 L211	S203-V207 WeakPolarHBondContact O-CG2 3.37Å; V205-V207 VanDerWaalsContact C-N 3.32Å; V205-V207 PolarHBondContact O-N 3.36Å; V207-Q210 VanDerWaalsContact O-CB 3.31Å; V207-Q210 WeakPolarHBondContact O-CB 3.17Å; V207-Q210 PolarHBondContact O-N 3.27Å; V207-L211 HydrophobicContact CG1-CD1 4.19Å; V207-L211 WeakPolarHBondContact O-CG 3.36Å; V207-L211 PolarHBondContact O-N 3.41Å
208	D	88.3	Confident	89.7	Confident	85 Å²	85	54.7 Å²	54.7	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-42.8	178.2	65.2	-43.1	0	0	0	112.4	R125 L206 Q210 L211 A212	R125-D208 IonicContact CZ-OD1 2.63Å; R125-D208 IonicContact CZ-OD2 2.94Å; R125-D208 IonicContact NH1-OD1 2.71Å; R125-D208 PolarHBondContact NH1-OD1 3.31Å; R125-D208 IonicContact NH1-OD2 2.75Å; R125-D208 PolarHBondContact NH1-OD2 2.87Å; R125-D208 IonicContact NH2-OD1 3.55Å; R125-D208 PolarHBondContact NH2-OD1 2.94Å; R125-D208 IonicContact NH2-OD2 2.98Å; R125-D208 PolarHBondContact NH2-OD2 3.09Å; L206-D208 PolarHBondContact O-N 2.87Å; L206-D208 VanDerWaalsContact O-N 3.12Å; D208-Q210 VanDerWaalsContact C-N 3.33Å; D208-L211 PolarHBondContact O-N 2.65Å; D208-A212 WeakPolarHBondContact O-CB 3.43Å; D208-A212 PolarHBondContact O-N 3.02Å
209	L	89.1	Confident	89.9	Confident	67 Å²	67	59 Å²	59	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-39.3	174.3	179.5	62.3	0	0	0	110.6	L206 A212 L213 F261	L206-L209 HydrophobicContact CB-CB 4.15Å; L206-L209 HydrophobicContact CD1-CD2 4.09Å; L206-L209 WeakPolarHBondContact O-CA 3.36Å; L206-L209 WeakPolarHBondContact O-CB 3.49Å; L206-L209 PolarHBondContact O-N 3.34Å; L209-A212 PolarHBondContact O-N 3.35Å; L209-L213 HydrophobicContact CD1-CD1 4.09Å; L209-L213 HydrophobicContact CD1-CG 4.08Å; L209-L213 HydrophobicContact CG-CD1 3.94Å; L209-L213 HydrophobicContact CG-CG 4.36Å; L209-L213 WeakPolarHBondContact O-CB 3.33Å; L209-L213 VanDerWaalsContact O-CG 3.27Å; L209-L213 WeakPolarHBondContact O-CG 3.45Å; L209-L213 PolarHBondContact O-N 2.75Å; L209-F261 HydrophobicContact CD2-CZ 4.27Å
210	Q	90.3	Very high	90.2	Very high	16 Å²	16	56.7 Å²	56.7	8%	0.075	34%	0.337	C	S	.	.	H	α-helix	trans	-55.7	-54.1	175.1	-63	-159	12.9	0	0	111.2	S203 V205 L206 V207 D208 A212 L213 Q214 W257 F261	S203-Q210 PolarHBondContact OG-NE2 3.02Å; V205-Q210 PolarHBondContact O-NE2 2.95Å; L206-Q210 WeakPolarHBondContact O-CG 3.38Å; L206-Q210 PolarHBondContact O-N 2.99Å; V207-Q210 VanDerWaalsContact O-CB 3.31Å; V207-Q210 WeakPolarHBondContact O-CB 3.17Å; V207-Q210 PolarHBondContact O-N 3.27Å; D208-Q210 VanDerWaalsContact C-N 3.33Å; Q210-A212 PolarHBondContact O-N 3.23Å; Q210-L213 PolarHBondContact O-N 2.75Å; Q210-Q214 VanDerWaalsContact O-CG 3.28Å; Q210-Q214 WeakPolarHBondContact O-CG 3.26Å; Q210-Q214 PolarHBondContact O-N 3.17Å; Q210-W257 HydrophobicContact CB-CE3 4.17Å; Q210-W257 HydrophobicContact CB-CH2 3.58Å; Q210-W257 HydrophobicContact CB-CZ3 3.17Å; Q210-W257 HydrophobicContact CG-CH2 3.94Å; Q210-W257 HydrophobicContact CG-CZ3 3.48Å; Q210-W257 VanDerWaalsContact CG-CZ3 3.48Å; Q210-W257 VanDerWaalsContact OE1-CH2 3.26Å; Q210-F261 HydrophobicContact CG-CB 4.44Å; Q210-F261 HydrophobicContact CG-CD1 3.55Å; Q210-F261 HydrophobicContact CG-CD2 4.26Å; Q210-F261 HydrophobicContact CG-CE1 3.75Å; Q210-F261 HydrophobicContact CG-CE2 4.44Å; Q210-F261 HydrophobicContact CG-CG 3.83Å; Q210-F261 HydrophobicContact CG-CZ 4.2Å; Q210-F261 VanDerWaalsContact NE2-CD1 3.29Å
211	L	90.6	Very high	90.7	Very high	80 Å²	80	54.1 Å²	54.1	42%	0.419	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-41.9	179.4	-69.3	171.6	0	0	0	112	V207 D208 L213 Q214 H215	V207-L211 HydrophobicContact CG1-CD1 4.19Å; V207-L211 WeakPolarHBondContact O-CG 3.36Å; V207-L211 PolarHBondContact O-N 3.41Å; D208-L211 PolarHBondContact O-N 2.65Å; L211-L213 PolarHBondContact O-N 2.74Å; L211-Q214 PolarHBondContact O-N 2.97Å; L211-H215 WeakPolarHBondContact O-CB 3.36Å; L211-H215 VanDerWaalsContact O-CG 3.26Å; L211-H215 PolarHBondContact O-N 2.68Å
212	A	92.6	Very high	91.1	Very high	57 Å²	57	57.4 Å²	57.4	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-60.9	-45	177	0	0	0	0	0	112.1	D208 L209 Q210 H215 L216	D208-A212 WeakPolarHBondContact O-CB 3.43Å; D208-A212 PolarHBondContact O-N 3.02Å; L209-A212 PolarHBondContact O-N 3.35Å; Q210-A212 PolarHBondContact O-N 3.23Å; A212-H215 PolarHBondContact O-N 3.03Å; A212-L216 WeakPolarHBondContact O-CB 3.26Å; A212-L216 PolarHBondContact O-N 3.25Å
213	L	92	Very high	91.6	Very high	32 Å²	32	56.6 Å²	56.6	17%	0.168	32%	0.32	C	S	.	.	H	α-helix	trans	-68.2	-37.6	178.1	-69.1	172.5	0	0	0	112.3	L209 Q210 L211 T217 V256 W257 F261	L209-L213 HydrophobicContact CD1-CD1 4.09Å; L209-L213 HydrophobicContact CD1-CG 4.08Å; L209-L213 HydrophobicContact CG-CD1 3.94Å; L209-L213 HydrophobicContact CG-CG 4.36Å; L209-L213 WeakPolarHBondContact O-CB 3.33Å; L209-L213 VanDerWaalsContact O-CG 3.27Å; L209-L213 WeakPolarHBondContact O-CG 3.45Å; L209-L213 PolarHBondContact O-N 2.75Å; Q210-L213 PolarHBondContact O-N 2.75Å; L211-L213 PolarHBondContact O-N 2.74Å; L213-T217 WeakPolarHBondContact O-CB 3.17Å; L213-T217 PolarHBondContact O-N 2.73Å; L213-T217 PolarHBondContact O-OG1 2.82Å; L213-V256 HydrophobicContact CD1-CG1 4.47Å; L213-V256 HydrophobicContact CD2-CG1 4.43Å; L213-W257 HydrophobicContact CB-CB 4.08Å; L213-W257 HydrophobicContact CB-CE3 4.12Å; L213-F261 HydrophobicContact CD1-CE2 3.86Å
214	Q	91.9	Very high	92	Very high	60 Å²	60	56.8 Å²	56.8	28%	0.28	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-51.8	172.7	-74.1	174.1	23.2	0	0	111.4	Q210 L211 L216 T217 L218 W257	Q210-Q214 VanDerWaalsContact O-CG 3.28Å; Q210-Q214 WeakPolarHBondContact O-CG 3.26Å; Q210-Q214 PolarHBondContact O-N 3.17Å; L211-Q214 PolarHBondContact O-N 2.97Å; Q214-L216 VanDerWaalsContact C-N 3.33Å; Q214-L216 PolarHBondContact O-N 3.19Å; Q214-T217 WeakPolarHBondContact O-CB 3.38Å; Q214-T217 PolarHBondContact O-N 2.8Å; Q214-L218 WeakPolarHBondContact O-CG 3.25Å; Q214-L218 PolarHBondContact O-N 3.03Å; Q214-W257 HydrophobicContact CG-CD2 3.56Å; Q214-W257 HydrophobicContact CG-CE3 4.07Å; Q214-W257 HydrophobicContact CG-CG 4.16Å; Q214-W257 HydrophobicContact CG-CH2 4.05Å; Q214-W257 HydrophobicContact CG-CZ2 3.5Å; Q214-W257 HydrophobicContact CG-CZ3 4.31Å
215	H	94.3	Very high	92.5	Very high	110 Å²	110	59.9 Å²	59.9	51%	0.509	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-42.3	179.1	-68.3	166	0	0	0	111.7	L211 A212 T217 L218 L219	L211-H215 WeakPolarHBondContact O-CB 3.36Å; L211-H215 VanDerWaalsContact O-CG 3.26Å; L211-H215 PolarHBondContact O-N 2.68Å; A212-H215 PolarHBondContact O-N 3.03Å; H215-T217 VanDerWaalsContact C-N 3.33Å; H215-T217 PolarHBondContact O-N 3.05Å; H215-L218 PolarHBondContact O-N 2.89Å; H215-L219 WeakPolarHBondContact O-CG 3.39Å; H215-L219 PolarHBondContact O-N 2.71Å
216	L	94	Very high	92.9	Very high	84 Å²	84	63.1 Å²	63.1	44%	0.44	36%	0.355	S	S	.	.	H	α-helix	trans	-59	-45.1	174.7	179.2	62.8	0	0	0	111.6	A212 Q214 L218 L219 L220	A212-L216 WeakPolarHBondContact O-CB 3.26Å; A212-L216 PolarHBondContact O-N 3.25Å; Q214-L216 VanDerWaalsContact C-N 3.33Å; Q214-L216 PolarHBondContact O-N 3.19Å; L216-L218 VanDerWaalsContact C-N 3.35Å; L216-L218 PolarHBondContact O-N 2.96Å; L216-L219 PolarHBondContact O-N 2.88Å; L216-L220 HydrophobicContact CD1-CD1 4.23Å; L216-L220 HydrophobicContact CD1-CG 4.34Å; L216-L220 HydrophobicContact CG-CD1 4.07Å; L216-L220 WeakPolarHBondContact O-CB 3.4Å; L216-L220 VanDerWaalsContact O-CG 3.31Å; L216-L220 WeakPolarHBondContact O-CG 3.49Å; L216-L220 PolarHBondContact O-N 3.18Å
217	T	93.3	Very high	93.2	Very high	26 Å²	26	66 Å²	66	16%	0.16	37%	0.369	C	S	.	.	H	α-helix	trans	-61.5	-43.1	177.8	-58.9	0	0	0	0	111.4	L213 Q214 H215 L220 G221 A253 A254	L213-T217 WeakPolarHBondContact O-CB 3.17Å; L213-T217 PolarHBondContact O-N 2.73Å; L213-T217 PolarHBondContact O-OG1 2.82Å; Q214-T217 WeakPolarHBondContact O-CB 3.38Å; Q214-T217 PolarHBondContact O-N 2.8Å; H215-T217 VanDerWaalsContact C-N 3.33Å; H215-T217 PolarHBondContact O-N 3.05Å; T217-L220 PolarHBondContact O-N 3.15Å; T217-G221 PolarHBondContact O-N 3.49Å; T217-A253 PolarHBondContact OG1-O 2.86Å; T217-A254 HydrophobicContact CG2-CB 3.65Å
218	L	94.4	Very high	93.5	Very high	122 Å²	122	66.4 Å²	66.4	64%	0.639	37%	0.371	S	S	*	.	H	α-helix	trans	-64	-43	176.6	-71.2	171.2	0	0	0	112.1	Q214 H215 L216 G221 L222	Q214-L218 WeakPolarHBondContact O-CG 3.25Å; Q214-L218 PolarHBondContact O-N 3.03Å; H215-L218 PolarHBondContact O-N 2.89Å; L216-L218 VanDerWaalsContact C-N 3.35Å; L216-L218 PolarHBondContact O-N 2.96Å; L218-G221 PolarHBondContact O-N 3.41Å; L218-L222 VanDerWaalsContact O-CB 3.31Å; L218-L222 WeakPolarHBondContact O-CB 3.41Å; L218-L222 PolarHBondContact O-N 3.49Å
219	L	95.8	Very high	93.8	Very high	119 Å²	119	65.3 Å²	65.3	62%	0.623	37%	0.369	S	S	*	.	H	α-helix	trans	-63.7	-43	177.6	-72.7	173.3	0	0	0	111.9	H215 L216 G223	H215-L219 WeakPolarHBondContact O-CG 3.39Å; H215-L219 PolarHBondContact O-N 2.71Å; L216-L219 PolarHBondContact O-N 2.88Å; L219-G223 PolarHBondContact O-N 3.41Å
220	L	95.1	Very high	94	Very high	41 Å²	41	63.2 Å²	63.2	22%	0.215	36%	0.359	C	S	.	.	H	α-helix	trans	-64	-44.6	176	-71.6	169.7	0	0	0	111.5	L216 T217 G223 L224 V249 A253	L216-L220 HydrophobicContact CD1-CD1 4.23Å; L216-L220 HydrophobicContact CD1-CG 4.34Å; L216-L220 HydrophobicContact CG-CD1 4.07Å; L216-L220 WeakPolarHBondContact O-CB 3.4Å; L216-L220 VanDerWaalsContact O-CG 3.31Å; L216-L220 WeakPolarHBondContact O-CG 3.49Å; L216-L220 PolarHBondContact O-N 3.18Å; T217-L220 PolarHBondContact O-N 3.15Å; L220-G223 PolarHBondContact O-N 2.94Å; L220-L224 WeakPolarHBondContact O-CB 3.09Å; L220-L224 PolarHBondContact O-N 3.01Å; L220-V249 HydrophobicContact CD1-CG1 4.08Å; L220-V249 HydrophobicContact CD2-CG1 4.24Å; L220-A253 HydrophobicContact CD1-CB 3.61Å
221	G	94.6	Very high	94.2	Very high	31 Å²	31	68.1 Å²	68.1	32%	0.32	38%	0.377	S	S	.	.	H	α-helix	trans	-63.9	-43.1	177.1	0	0	0	0	0	113.1	T217 L218 L224 L225	T217-G221 PolarHBondContact O-N 3.49Å; L218-G221 PolarHBondContact O-N 3.41Å; G221-L224 PolarHBondContact O-N 2.93Å; G221-L225 WeakPolarHBondContact O-CB 3.15Å; G221-L225 PolarHBondContact O-N 3.44Å
222	L	96.1	Very high	94.3	Very high	106 Å²	106	71 Å²	71	56%	0.555	39%	0.392	S	S	*	.	H	α-helix	trans	-63.8	-45.2	174.6	-177.6	64.3	0	0	0	110.8	L218 L224 L225 T226	L218-L222 VanDerWaalsContact O-CB 3.31Å; L218-L222 WeakPolarHBondContact O-CB 3.41Å; L218-L222 PolarHBondContact O-N 3.49Å; L222-L224 VanDerWaalsContact C-N 3.34Å; L222-L224 PolarHBondContact O-N 3.42Å; L222-L225 PolarHBondContact O-N 3.01Å; L222-T226 WeakPolarHBondContact O-CB 2.96Å; L222-T226 PolarHBondContact O-N 3.48Å; L222-T226 PolarHBondContact O-OG1 3.47Å
223	G	94.9	Very high	94.3	Very high	31 Å²	31	72.8 Å²	72.8	32%	0.32	40%	0.4	S	S	.	.	H	α-helix	trans	-59	-43.7	176.2	0	0	0	0	0	112.5	L219 L220 T226 M227	L219-G223 PolarHBondContact O-N 3.41Å; L220-G223 PolarHBondContact O-N 2.94Å; G223-T226 PolarHBondContact O-N 3.13Å; G223-M227 WeakPolarHBondContact O-CB 3.47Å; G223-M227 VanDerWaalsContact O-CG 3.27Å; G223-M227 WeakPolarHBondContact O-CG 3.22Å; G223-M227 PolarHBondContact O-N 3.02Å
224	L	95.9	Very high	94.3	Very high	26 Å²	26	74.4 Å²	74.4	14%	0.136	43%	0.425	C	S	.	.	H	α-helix	trans	-59.6	-49.8	173.3	174.7	65.5	0	0	0	111.3	L220 G221 L222 T226 M227 V228 L243 L246 F247	L220-L224 WeakPolarHBondContact O-CB 3.09Å; L220-L224 PolarHBondContact O-N 3.01Å; G221-L224 PolarHBondContact O-N 2.93Å; L222-L224 VanDerWaalsContact C-N 3.34Å; L222-L224 PolarHBondContact O-N 3.42Å; L224-T226 VanDerWaalsContact C-N 3.34Å; L224-T226 PolarHBondContact O-N 3.13Å; L224-M227 PolarHBondContact O-N 3.03Å; L224-V228 HydrophobicContact CD1-CG2 4.35Å; L224-V228 WeakPolarHBondContact O-CG2 3.17Å; L224-V228 PolarHBondContact O-N 3.3Å; L224-L243 HydrophobicContact CD1-CD2 4.28Å; L224-L246 HydrophobicContact CB-CB 4.48Å; L224-L246 HydrophobicContact CD1-CB 3.79Å; L224-F247 HydrophobicContact CD1-CB 4.43Å; L224-F247 HydrophobicContact CD2-CB 4.01Å; L224-F247 HydrophobicContact CD2-CD2 3.97Å
225	L	95.6	Very high	94.2	Very high	107 Å²	107	77.6 Å²	77.6	56%	0.56	44%	0.443	S	S	*	.	H	α-helix	trans	-60.1	-44.9	179.6	-176.9	65.7	0	0	0	111.4	G221 L222 M227 V228 C229	G221-L225 WeakPolarHBondContact O-CB 3.15Å; G221-L225 PolarHBondContact O-N 3.44Å; L222-L225 PolarHBondContact O-N 3.01Å; L225-M227 PolarHBondContact O-N 3.45Å; L225-V228 PolarHBondContact O-N 3.24Å; L225-C229 PolarHBondContact O-N 3.31Å; L225-C229 PolarHBondContact O-SG 3.48Å; L225-C229 VanDerWaalsContact O-SG 3.32Å
226	T	95.4	Very high	94	Very high	69 Å²	69	78.3 Å²	78.3	42%	0.423	45%	0.45	S	S	.	.	H	α-helix	trans	-59.6	-45.1	175.8	-59.3	0	0	0	0	111.4	L222 G223 L224 V228 C229 V230	L222-T226 WeakPolarHBondContact O-CB 2.96Å; L222-T226 PolarHBondContact O-N 3.48Å; L222-T226 PolarHBondContact O-OG1 3.47Å; G223-T226 PolarHBondContact O-N 3.13Å; L224-T226 VanDerWaalsContact C-N 3.34Å; L224-T226 PolarHBondContact O-N 3.13Å; T226-V228 VanDerWaalsContact C-N 3.35Å; T226-V228 PolarHBondContact O-N 3.24Å; T226-C229 PolarHBondContact O-N 3.28Å; T226-V230 HydrophobicContact CG2-CG2 4.36Å; T226-V230 WeakPolarHBondContact O-CB 3.37Å; T226-V230 VanDerWaalsContact O-CG2 3.31Å; T226-V230 WeakPolarHBondContact O-CG2 3.42Å; T226-V230 PolarHBondContact O-N 2.75Å
227	M	94.3	Very high	93.8	Very high	74 Å²	74	83.9 Å²	83.9	37%	0.365	47%	0.474	S	S	.	.	H	α-helix	trans	-65.4	-37.1	178.6	-71.6	-64.4	156	0	0	112.6	G223 L224 L225 R231 V238 L243 L246	G223-M227 WeakPolarHBondContact O-CB 3.47Å; G223-M227 VanDerWaalsContact O-CG 3.27Å; G223-M227 WeakPolarHBondContact O-CG 3.22Å; G223-M227 PolarHBondContact O-N 3.02Å; L224-M227 PolarHBondContact O-N 3.03Å; L225-M227 PolarHBondContact O-N 3.45Å; M227-R231 WeakPolarHBondContact O-CB 3.18Å; M227-R231 PolarHBondContact O-N 2.97Å; M227-R231 VanDerWaalsContact O-N 3.09Å; M227-V238 HydrophobicContact SD-CG2 4.35Å; M227-L243 HydrophobicContact CB-CD2 3.71Å; M227-L246 HydrophobicContact CB-CD1 4.48Å; M227-L246 HydrophobicContact CG-CD1 4.19Å
228	V	94.6	Very high	93.6	Very high	51 Å²	51	83.2 Å²	83.2	31%	0.309	47%	0.47	S	S	.	.	H	α-helix	trans	-62.1	-47.8	171.9	171.5	0	0	0	0	110.4	L224 L225 T226 R231 L232 L243	L224-V228 HydrophobicContact CD1-CG2 4.35Å; L224-V228 WeakPolarHBondContact O-CG2 3.17Å; L224-V228 PolarHBondContact O-N 3.3Å; L225-V228 PolarHBondContact O-N 3.24Å; T226-V228 VanDerWaalsContact C-N 3.35Å; T226-V228 PolarHBondContact O-N 3.24Å; V228-R231 PolarHBondContact O-N 3.47Å; V228-L232 HydrophobicContact CG1-CD1 3.81Å; V228-L232 HydrophobicContact CG1-CG 4.32Å; V228-L232 VanDerWaalsContact O-CG 3.31Å; V228-L232 WeakPolarHBondContact O-CG 3.33Å; V228-L232 PolarHBondContact O-N 3.17Å; V228-L243 HydrophobicContact CG2-CD1 4.32Å; V228-L243 HydrophobicContact CG2-CD2 3.98Å
229	C	94.7	Very high	93.5	Very high	62 Å²	62	80.7 Å²	80.7	42%	0.419	46%	0.462	S	S	.	.	H	α-helix	trans	-60.8	-46.2	177.5	-69.8	0	0	0	0	112.4	L225 T226 R231 L232 C233	L225-C229 PolarHBondContact O-N 3.31Å; L225-C229 PolarHBondContact O-SG 3.48Å; L225-C229 VanDerWaalsContact O-SG 3.32Å; T226-C229 PolarHBondContact O-N 3.28Å; C229-R231 VanDerWaalsContact C-N 3.28Å; C229-R231 PolarHBondContact O-N 2.83Å; C229-L232 PolarHBondContact O-N 3.02Å; C229-L232 VanDerWaalsContact O-N 3.17Å; C229-C233 WeakPolarHBondContact O-CB 3.22Å; C229-C233 PolarHBondContact O-N 3.43Å; C229-C233 PolarHBondContact O-SG 3.2Å; C229-C233 VanDerWaalsContact O-SG 3.32Å
230	V	94.5	Very high	93.3	Very high	24 Å²	24	80.2 Å²	80.2	15%	0.145	46%	0.46	C	S	.	.	H	α-helix	trans	-57	-43	177.4	165.1	0	0	0	0	111.3	T226 G234 L235 L236 V238	T226-V230 HydrophobicContact CG2-CG2 4.36Å; T226-V230 WeakPolarHBondContact O-CB 3.37Å; T226-V230 VanDerWaalsContact O-CG2 3.31Å; T226-V230 WeakPolarHBondContact O-CG2 3.42Å; T226-V230 PolarHBondContact O-N 2.75Å; V230-G234 PolarHBondContact O-N 2.86Å; V230-L235 HydrophobicContact CG1-CB 4.13Å; V230-L235 PolarHBondContact O-N 3.32Å; V230-L235 VanDerWaalsContact O-N 3.07Å; V230-L236 HydrophobicContact CG1-CB 3.69Å; V230-L236 HydrophobicContact CG1-CD1 4.12Å; V230-L236 HydrophobicContact CG1-CG 4.17Å; V230-V238 HydrophobicContact CG1-CG2 4.06Å
231	R	93	Very high	93.3	Very high	118 Å²	118	88.1 Å²	88.1	45%	0.445	49%	0.487	S	S	.	.	H	α-helix	trans	-66.2	-44.3	175.9	-174.3	176.5	167.4	79.8	3.8	112.1	M227 V228 C229 G234 V238	M227-R231 WeakPolarHBondContact O-CB 3.18Å; M227-R231 PolarHBondContact O-N 2.97Å; M227-R231 VanDerWaalsContact O-N 3.09Å; V228-R231 PolarHBondContact O-N 3.47Å; C229-R231 VanDerWaalsContact C-N 3.28Å; C229-R231 PolarHBondContact O-N 2.83Å; R231-G234 PolarHBondContact O-N 3.32Å; R231-V238 HydrophobicContact CB-CB 4.15Å; R231-V238 HydrophobicContact CB-CG2 4.39Å; R231-V238 HydrophobicContact CG-CB 4.49Å; R231-V238 PolarHBondContact NH1-O 2.8Å
232	L	92.7	Very high	93.2	Very high	141 Å²	141	90.4 Å²	90.4	74%	0.738	49%	0.491	S	S	*	.	H	α-helix	trans	-67.7	-34.5	-179.9	-71.3	174.6	0	0	0	112.8	V228 C229 G234	V228-L232 HydrophobicContact CG1-CD1 3.81Å; V228-L232 HydrophobicContact CG1-CG 4.32Å; V228-L232 VanDerWaalsContact O-CG 3.31Å; V228-L232 WeakPolarHBondContact O-CG 3.33Å; V228-L232 PolarHBondContact O-N 3.17Å; C229-L232 PolarHBondContact O-N 3.02Å; C229-L232 VanDerWaalsContact O-N 3.17Å; L232-G234 VanDerWaalsContact C-N 3.27Å; L232-G234 PolarHBondContact O-N 2.79Å
233	C	94.2	Very high	93.1	Very high	94 Å²	94	86.3 Å²	86.3	64%	0.635	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-4.1	176.6	-65.6	0	0	0	0	113.4	C229 L235	C229-C233 WeakPolarHBondContact O-CB 3.22Å; C229-C233 PolarHBondContact O-N 3.43Å; C229-C233 PolarHBondContact O-SG 3.2Å; C229-C233 VanDerWaalsContact O-SG 3.32Å; C233-L235 VanDerWaalsContact C-N 3.25Å; C233-L235 HydrophobicContact CB-CD1 4.07Å; C233-L235 HydrophobicContact CB-CG 3.93Å; C233-L235 PolarHBondContact O-N 2.89Å
234	G	89.9	Confident	93.1	Very high	66 Å²	66	88.5 Å²	88.5	68%	0.68	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	22.7	-179.5	0	0	0	0	0	114.4	V230 R231 L232	V230-G234 PolarHBondContact O-N 2.86Å; R231-G234 PolarHBondContact O-N 3.32Å; L232-G234 VanDerWaalsContact C-N 3.27Å; L232-G234 PolarHBondContact O-N 2.79Å
235	L	90.6	Very high	93.1	Very high	127 Å²	127	92 Å²	92	67%	0.665	50%	0.495	S	S	*	.	S	Bend	trans	-75.9	-34.9	-176.5	-68.1	171.9	0	0	0	112.4	V230 C233	V230-L235 HydrophobicContact CG1-CB 4.13Å; V230-L235 PolarHBondContact O-N 3.32Å; V230-L235 VanDerWaalsContact O-N 3.07Å; C233-L235 VanDerWaalsContact C-N 3.25Å; C233-L235 HydrophobicContact CB-CD1 4.07Å; C233-L235 HydrophobicContact CB-CG 3.93Å; C233-L235 PolarHBondContact O-N 2.89Å
236	L	91	Very high	93	Very high	125 Å²	125	89 Å²	89	65%	0.654	48%	0.479	S	S	*	.	S	Bend	trans	-148	150.2	177.5	-68.3	168.8	0	0	0	110.5	V230 V238	V230-L236 HydrophobicContact CG1-CB 3.69Å; V230-L236 HydrophobicContact CG1-CD1 4.12Å; V230-L236 HydrophobicContact CG1-CG 4.17Å; L236-V238 PolarHBondContact O-N 3.41Å; L236-V238 VanDerWaalsContact O-N 3.15Å
237	E	89.3	Confident	93	Very high	202 Å²	202	91.7 Å²	91.7	94%	0.944	49%	0.486	S	S	*	.			trans	-76.7	96.7	172.2	-68.2	-170	174.8	0	0	111.1
238	V	89.5	Confident	93.1	Very high	12 Å²	12	94.5 Å²	94.5	7%	0.073	50%	0.496	C	S	.	.			trans	-97.6	121.9	177.4	-178.4	0	0	0	0	110.1	M227 V230 R231 L236 L242 L243	M227-V238 HydrophobicContact SD-CG2 4.35Å; V230-V238 HydrophobicContact CG1-CG2 4.06Å; R231-V238 HydrophobicContact CB-CB 4.15Å; R231-V238 HydrophobicContact CB-CG2 4.39Å; R231-V238 HydrophobicContact CG-CB 4.49Å; R231-V238 PolarHBondContact NH1-O 2.8Å; L236-V238 PolarHBondContact O-N 3.41Å; L236-V238 VanDerWaalsContact O-N 3.15Å; V238-L242 HydrophobicContact CG1-CD2 4.22Å; V238-L243 HydrophobicContact CG1-CD2 4.05Å; V238-L243 HydrophobicContact CG1-CG 4.18Å
239	S	92.5	Very high	93.1	Very high	69 Å²	69	94.9 Å²	94.9	48%	0.483	50%	0.498	S	S	.	.			trans	-61	139.6	177.4	176.6	0	0	0	0	112.9	W241 L242 L243	S239-W241 VanDerWaalsContact C-N 3.26Å; S239-W241 PolarHBondContact O-N 2.82Å; S239-W241 PolarHBondContact OG-N 3.38Å; S239-L242 WeakPolarHBondContact O-CB 3.4Å; S239-L242 PolarHBondContact O-N 3.33Å; S239-L243 PolarHBondContact O-N 3.06Å
240	L	91.9	Very high	93	Very high	109 Å²	109	92.6 Å²	92.6	57%	0.571	48%	0.483	S	S	*	.	H	α-helix	trans	-61.6	-35.4	175.8	-175.3	65.2	0	0	0	112	L242 L243 V244	L240-L242 VanDerWaalsContact C-N 3.28Å; L240-L242 PolarHBondContact O-N 3.46Å; L240-L243 HydrophobicContact CD1-CD1 4.5Å; L240-L243 WeakPolarHBondContact O-CB 3.44Å; L240-L243 PolarHBondContact O-N 3.13Å; L240-L243 VanDerWaalsContact O-N 3.14Å; L240-V244 WeakPolarHBondContact O-CG2 3.26Å; L240-V244 PolarHBondContact O-N 2Å
241	W	93.9	Very high	93	Very high	207 Å²	207	94.7 Å²	94.7	78%	0.784	50%	0.496	S	S	*	.	H	α-helix	trans	-62.8	-34.9	176.9	-79	105.9	0	0	0	112.7	S239 L243 V244 L245	S239-W241 VanDerWaalsContact C-N 3.26Å; S239-W241 PolarHBondContact O-N 2.82Å; S239-W241 PolarHBondContact OG-N 3.38Å; W241-L243 VanDerWaalsContact C-N 3.35Å; W241-V244 PolarHBondContact O-N 3.35Å; W241-L245 WeakPolarHBondContact O-CB 3.12Å; W241-L245 PolarHBondContact O-N 3.21Å
242	L	92.6	Very high	93	Very high	78 Å²	78	92.1 Å²	92.1	41%	0.408	49%	0.493	S	S	.	.	H	α-helix	trans	-65.5	-40.1	174.9	180	61.1	0	0	0	111	V238 S239 L240 L245 L246	V238-L242 HydrophobicContact CG1-CD2 4.22Å; S239-L242 WeakPolarHBondContact O-CB 3.4Å; S239-L242 PolarHBondContact O-N 3.33Å; L240-L242 VanDerWaalsContact C-N 3.28Å; L240-L242 PolarHBondContact O-N 3.46Å; L242-L245 PolarHBondContact O-N 3Å; L242-L246 HydrophobicContact CD1-CD1 4.31Å; L242-L246 HydrophobicContact CD1-CG 4.27Å; L242-L246 HydrophobicContact CG-CD1 4.11Å; L242-L246 HydrophobicContact CG-CG 4.49Å; L242-L246 WeakPolarHBondContact O-CB 3.26Å; L242-L246 VanDerWaalsContact O-CG 3.28Å; L242-L246 WeakPolarHBondContact O-CG 3.4Å; L242-L246 PolarHBondContact O-N 3.03Å
243	L	93.9	Very high	93	Very high	20 Å²	20	86.1 Å²	86.1	11%	0.105	46%	0.464	C	S	.	.	H	α-helix	trans	-65.6	-41.2	175.7	-62.9	178.4	0	0	0	112.1	L224 M227 V228 V238 S239 L240 W241 L246 F247	L224-L243 HydrophobicContact CD1-CD2 4.28Å; M227-L243 HydrophobicContact CB-CD2 3.71Å; V228-L243 HydrophobicContact CG2-CD1 4.32Å; V228-L243 HydrophobicContact CG2-CD2 3.98Å; V238-L243 HydrophobicContact CG1-CD2 4.05Å; V238-L243 HydrophobicContact CG1-CG 4.18Å; S239-L243 PolarHBondContact O-N 3.06Å; L240-L243 HydrophobicContact CD1-CD1 4.5Å; L240-L243 WeakPolarHBondContact O-CB 3.44Å; L240-L243 PolarHBondContact O-N 3.13Å; L240-L243 VanDerWaalsContact O-N 3.14Å; W241-L243 VanDerWaalsContact C-N 3.35Å; L243-L246 PolarHBondContact O-N 3.46Å; L243-F247 VanDerWaalsContact O-CB 3.31Å; L243-F247 WeakPolarHBondContact O-CB 3.33Å; L243-F247 PolarHBondContact O-N 2.93Å
244	V	95.3	Very high	92.8	Very high	78 Å²	78	83.4 Å²	83.4	47%	0.473	45%	0.448	S	S	.	.	H	α-helix	trans	-62.6	-44.9	175.2	173	0	0	0	0	110.9	L240 W241 F247 F248	L240-V244 WeakPolarHBondContact O-CG2 3.26Å; L240-V244 PolarHBondContact O-N 2Å; W241-V244 PolarHBondContact O-N 3.35Å; V244-F247 PolarHBondContact O-N 3.38Å; V244-F248 WeakPolarHBondContact O-CB 3.42Å; V244-F248 PolarHBondContact O-N 3.48Å
245	L	94.8	Very high	92.9	Very high	100 Å²	100	82.4 Å²	82.4	52%	0.524	43%	0.434	S	S	.	.	H	α-helix	trans	-61.4	-48.4	176.3	179.4	65.7	0	0	0	111.4	W241 L242 F247 F248 V249	W241-L245 WeakPolarHBondContact O-CB 3.12Å; W241-L245 PolarHBondContact O-N 3.21Å; L242-L245 PolarHBondContact O-N 3Å; L245-F247 VanDerWaalsContact C-N 3.33Å; L245-F247 PolarHBondContact O-N 3.19Å; L245-F248 PolarHBondContact O-N 3.01Å; L245-V249 HydrophobicContact CD1-CG2 4.21Å; L245-V249 HydrophobicContact CG-CG2 4.44Å; L245-V249 WeakPolarHBondContact O-CB 3.34Å; L245-V249 VanDerWaalsContact O-CG2 3.3Å; L245-V249 WeakPolarHBondContact O-CG2 3.44Å; L245-V249 PolarHBondContact O-N 3.1Å
246	L	94.1	Very high	92.8	Very high	43 Å²	43	80.2 Å²	80.2	23%	0.225	43%	0.425	C	S	.	.	H	α-helix	trans	-62.7	-39.4	178.6	-75	173.5	0	0	0	112	L224 M227 L242 L243 S250	L224-L246 HydrophobicContact CB-CB 4.48Å; L224-L246 HydrophobicContact CD1-CB 3.79Å; M227-L246 HydrophobicContact CB-CD1 4.48Å; M227-L246 HydrophobicContact CG-CD1 4.19Å; L242-L246 HydrophobicContact CD1-CD1 4.31Å; L242-L246 HydrophobicContact CD1-CG 4.27Å; L242-L246 HydrophobicContact CG-CD1 4.11Å; L242-L246 HydrophobicContact CG-CG 4.49Å; L242-L246 WeakPolarHBondContact O-CB 3.26Å; L242-L246 VanDerWaalsContact O-CG 3.28Å; L242-L246 WeakPolarHBondContact O-CG 3.4Å; L242-L246 PolarHBondContact O-N 3.03Å; L243-L246 PolarHBondContact O-N 3.46Å; L246-S250 VanDerWaalsContact O-CB 3.27Å; L246-S250 WeakPolarHBondContact O-CB 3.39Å; L246-S250 PolarHBondContact O-N 2.88Å; L246-S250 PolarHBondContact O-OG 3.2Å
247	F	96	Very high	92.6	Very high	126 Å²	126	76.3 Å²	76.3	55%	0.553	40%	0.402	S	S	*	.	H	α-helix	trans	-60.7	-51	173.3	177.6	-99.1	0	0	0	111	L224 L243 V244 L245 V249 S250 T251	L224-F247 HydrophobicContact CD1-CB 4.43Å; L224-F247 HydrophobicContact CD2-CB 4.01Å; L224-F247 HydrophobicContact CD2-CD2 3.97Å; L243-F247 VanDerWaalsContact O-CB 3.31Å; L243-F247 WeakPolarHBondContact O-CB 3.33Å; L243-F247 PolarHBondContact O-N 2.93Å; V244-F247 PolarHBondContact O-N 3.38Å; L245-F247 VanDerWaalsContact C-N 3.33Å; L245-F247 PolarHBondContact O-N 3.19Å; F247-V249 PolarHBondContact O-N 3.21Å; F247-S250 PolarHBondContact O-N 2.93Å; F247-T251 PolarHBondContact O-N 3.33Å; F247-T251 PolarHBondContact O-OG1 3.43Å
248	F	95.9	Very high	92.5	Very high	132 Å²	132	73.5 Å²	73.5	58%	0.579	38%	0.383	S	S	*	.	H	α-helix	trans	-58.3	-48.5	178.2	179.6	-100.9	0	0	0	112	V244 L245 S250 T251 V252	V244-F248 WeakPolarHBondContact O-CB 3.42Å; V244-F248 PolarHBondContact O-N 3.48Å; L245-F248 PolarHBondContact O-N 3.01Å; F248-S250 VanDerWaalsContact C-N 3.33Å; F248-S250 PolarHBondContact O-N 2.79Å; F248-T251 PolarHBondContact O-N 2.75Å; F248-V252 HydrophobicContact CD1-CG2 4.21Å; F248-V252 HydrophobicContact CD2-CG2 4.48Å; F248-V252 HydrophobicContact CE1-CG2 3.8Å; F248-V252 HydrophobicContact CE2-CG2 4.09Å; F248-V252 HydrophobicContact CZ-CG2 3.73Å; F248-V252 WeakPolarHBondContact O-CG2 3.37Å; F248-V252 PolarHBondContact O-N 3.09Å
249	V	94.6	Very high	92.4	Very high	60 Å²	60	75.5 Å²	75.5	36%	0.364	40%	0.396	S	S	.	.	H	α-helix	trans	-61.6	-41.4	178	172.3	0	0	0	0	111.3	L220 L245 F247 V252 A253	L220-V249 HydrophobicContact CD1-CG1 4.08Å; L220-V249 HydrophobicContact CD2-CG1 4.24Å; L245-V249 HydrophobicContact CD1-CG2 4.21Å; L245-V249 HydrophobicContact CG-CG2 4.44Å; L245-V249 WeakPolarHBondContact O-CB 3.34Å; L245-V249 VanDerWaalsContact O-CG2 3.3Å; L245-V249 WeakPolarHBondContact O-CG2 3.44Å; L245-V249 PolarHBondContact O-N 3.1Å; F247-V249 PolarHBondContact O-N 3.21Å; V249-V252 PolarHBondContact O-N 3.01Å; V249-A253 WeakPolarHBondContact O-CB 3.49Å; V249-A253 PolarHBondContact O-N 2.97Å
250	S	93.6	Very high	92	Very high	13 Å²	13	73.3 Å²	73.3	9%	0.091	38%	0.38	C	S	.	.	H	α-helix	trans	-64.2	-41.6	176.1	-57.2	0	0	0	0	111.8	L246 F247 F248 A253 A254	L246-S250 VanDerWaalsContact O-CB 3.27Å; L246-S250 WeakPolarHBondContact O-CB 3.39Å; L246-S250 PolarHBondContact O-N 2.88Å; L246-S250 PolarHBondContact O-OG 3.2Å; F247-S250 PolarHBondContact O-N 2.93Å; F248-S250 VanDerWaalsContact C-N 3.33Å; F248-S250 PolarHBondContact O-N 2.79Å; S250-A253 PolarHBondContact O-N 3.16Å; S250-A254 WeakPolarHBondContact O-CB 3.35Å; S250-A254 PolarHBondContact O-N 3.46Å
251	T	93.9	Very high	91.8	Very high	69 Å²	69	69 Å²	69	42%	0.423	36%	0.356	S	S	.	.	H	α-helix	trans	-64.8	-42.8	175.8	-56.2	0	0	0	0	111.6	F247 F248 A254 A255	F247-T251 PolarHBondContact O-N 3.33Å; F247-T251 PolarHBondContact O-OG1 3.43Å; F248-T251 PolarHBondContact O-N 2.75Å; T251-A254 PolarHBondContact O-N 2.91Å; T251-A255 WeakPolarHBondContact O-CB 3.49Å; T251-A255 PolarHBondContact O-N 3.1Å
252	V	93.3	Very high	91.5	Very high	64 Å²	64	61.1 Å²	61.1	39%	0.388	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-46.2	176.3	171.5	0	0	0	0	110.6	F248 V249 A254 A255 V256	F248-V252 HydrophobicContact CD1-CG2 4.21Å; F248-V252 HydrophobicContact CD2-CG2 4.48Å; F248-V252 HydrophobicContact CE1-CG2 3.8Å; F248-V252 HydrophobicContact CE2-CG2 4.09Å; F248-V252 HydrophobicContact CZ-CG2 3.73Å; F248-V252 WeakPolarHBondContact O-CG2 3.37Å; F248-V252 PolarHBondContact O-N 3.09Å; V249-V252 PolarHBondContact O-N 3.01Å; V252-A254 VanDerWaalsContact C-N 3.33Å; V252-A254 PolarHBondContact O-N 2.94Å; V252-A255 PolarHBondContact O-N 2.83Å; V252-V256 HydrophobicContact CG1-CG2 4.24Å; V252-V256 WeakPolarHBondContact O-CB 3.41Å; V252-V256 VanDerWaalsContact O-CG2 3.29Å; V252-V256 WeakPolarHBondContact O-CG2 3.35Å; V252-V256 PolarHBondContact O-N 3.1Å
253	A	91.4	Very high	91.4	Very high	15 Å²	15	59.2 Å²	59.2	12%	0.124	33%	0.329	C	S	.	.	H	α-helix	trans	-58.8	-45.3	176.4	0	0	0	0	0	111.6	T217 L220 V249 S250 A255 V256 W257	T217-A253 PolarHBondContact OG1-O 2.86Å; L220-A253 HydrophobicContact CD1-CB 3.61Å; V249-A253 WeakPolarHBondContact O-CB 3.49Å; V249-A253 PolarHBondContact O-N 2.97Å; S250-A253 PolarHBondContact O-N 3.16Å; A253-A255 VanDerWaalsContact C-N 3.34Å; A253-A255 PolarHBondContact O-N 2.81Å; A253-V256 PolarHBondContact O-N 2.83Å; A253-W257 WeakPolarHBondContact O-CB 3.4Å; A253-W257 PolarHBondContact O-N 2.6Å
254	A	91.4	Very high	91.3	Very high	37 Å²	37	58.4 Å²	58.4	31%	0.306	33%	0.325	S	S	.	.	H	α-helix	trans	-61.2	-40.4	175.5	0	0	0	0	0	112.4	T217 S250 T251 V252 Y258	T217-A254 HydrophobicContact CG2-CB 3.65Å; S250-A254 WeakPolarHBondContact O-CB 3.35Å; S250-A254 PolarHBondContact O-N 3.46Å; T251-A254 PolarHBondContact O-N 2.91Å; V252-A254 VanDerWaalsContact C-N 3.33Å; V252-A254 PolarHBondContact O-N 2.94Å; A254-Y258 WeakPolarHBondContact O-CB 3.29Å; A254-Y258 PolarHBondContact O-N 3.02Å
255	A	90.9	Very high	91.2	Very high	45 Å²	45	59.4 Å²	59.4	37%	0.372	32%	0.32	S	S	.	.	H	α-helix	trans	-69.5	-43	178	0	0	0	0	0	112.4	T251 V252 A253 W257 Y258 V259	T251-A255 WeakPolarHBondContact O-CB 3.49Å; T251-A255 PolarHBondContact O-N 3.1Å; V252-A255 PolarHBondContact O-N 2.83Å; A253-A255 VanDerWaalsContact C-N 3.34Å; A253-A255 PolarHBondContact O-N 2.81Å; A255-W257 PolarHBondContact O-N 2.95Å; A255-Y258 PolarHBondContact O-N 3.04Å; A255-V259 HydrophobicContact CB-CG2 4.49Å; A255-V259 VanDerWaalsContact O-CB 3.26Å; A255-V259 WeakPolarHBondContact O-CB 3.41Å; A255-V259 VanDerWaalsContact O-CG2 3.29Å; A255-V259 WeakPolarHBondContact O-CG2 3.3Å; A255-V259 PolarHBondContact O-N 2.92Å
256	V	88.3	Confident	91.1	Very high	80 Å²	80	56.2 Å²	56.2	49%	0.485	31%	0.305	S	S	.	.	H	α-helix	trans	-60.5	-34.5	176.5	168.8	0	0	0	0	111.4	L213 V252 A253 P260	L213-V256 HydrophobicContact CD1-CG1 4.47Å; L213-V256 HydrophobicContact CD2-CG1 4.43Å; V252-V256 HydrophobicContact CG1-CG2 4.24Å; V252-V256 WeakPolarHBondContact O-CB 3.41Å; V252-V256 VanDerWaalsContact O-CG2 3.29Å; V252-V256 WeakPolarHBondContact O-CG2 3.35Å; V252-V256 PolarHBondContact O-N 3.1Å; A253-V256 PolarHBondContact O-N 2.83Å; V256-P260 WeakPolarHBondContact O-CD 3.35Å; V256-P260 WeakPolarHBondContact O-CG 3.42Å
257	W	86.5	Confident	91.1	Very high	44 Å²	44	54.2 Å²	54.2	17%	0.167	30%	0.295	C	S	.	.	H	α-helix	trans	-73.9	-60.1	171.4	162.2	-117.9	0	0	0	111.8	Q210 L213 Q214 A253 A255 V259 F261	Q210-W257 HydrophobicContact CB-CE3 4.17Å; Q210-W257 HydrophobicContact CB-CH2 3.58Å; Q210-W257 HydrophobicContact CB-CZ3 3.17Å; Q210-W257 HydrophobicContact CG-CH2 3.94Å; Q210-W257 HydrophobicContact CG-CZ3 3.48Å; Q210-W257 VanDerWaalsContact CG-CZ3 3.48Å; Q210-W257 VanDerWaalsContact OE1-CH2 3.26Å; L213-W257 HydrophobicContact CB-CB 4.08Å; L213-W257 HydrophobicContact CB-CE3 4.12Å; Q214-W257 HydrophobicContact CG-CD2 3.56Å; Q214-W257 HydrophobicContact CG-CE3 4.07Å; Q214-W257 HydrophobicContact CG-CG 4.16Å; Q214-W257 HydrophobicContact CG-CH2 4.05Å; Q214-W257 HydrophobicContact CG-CZ2 3.5Å; Q214-W257 HydrophobicContact CG-CZ3 4.31Å; A253-W257 WeakPolarHBondContact O-CB 3.4Å; A253-W257 PolarHBondContact O-N 2.6Å; A255-W257 PolarHBondContact O-N 2.95Å; W257-V259 PolarHBondContact O-N 3.32Å; W257-F261 HydrophobicContact CE3-CB 4.09Å; W257-F261 AromaticContact CE3-CD2 3.46Å; W257-F261 HydrophobicContact CE3-CD2 3.46Å; W257-F261 VanDerWaalsContact CE3-CD2 3.46Å; W257-F261 HydrophobicContact CE3-CE2 4.24Å; W257-F261 HydrophobicContact CE3-CG 4.05Å; W257-F261 HydrophobicContact CH2-CB 3.59Å; W257-F261 HydrophobicContact CH2-CD2 4.39Å; W257-F261 HydrophobicContact CH2-CG 4.15Å; W257-F261 HydrophobicContact CZ2-CB 4.41Å; W257-F261 HydrophobicContact CZ3-CB 3.38Å; W257-F261 HydrophobicContact CZ3-CD1 4.41Å; W257-F261 AromaticContact CZ3-CD2 3.33Å; W257-F261 HydrophobicContact CZ3-CD2 3.33Å; W257-F261 HydrophobicContact CZ3-CE2 4.22Å; W257-F261 AromaticContact CZ3-CG 3.46Å; W257-F261 HydrophobicContact CZ3-CG 3.46Å; W257-F261 VanDerWaalsContact CZ3-CG 3.46Å; W257-F261 WeakPolarHBondContact O-CB 3.42Å; W257-F261 VanDerWaalsContact O-CD2 3.28Å; W257-F261 WeakPolarHBondContact O-CD2 3.46Å; W257-F261 PolarHBondContact O-N 3.35Å
258	Y	88.9	Confident	91	Very high	142 Å²	142	48.5 Å²	48.5	56%	0.557	27%	0.27	S	S	*	.	H	α-helix	trans	-70.2	-38.4	-165.6	-178.1	-97.6	0	0	0	113.5	A254 A255 G262	A254-Y258 WeakPolarHBondContact O-CB 3.29Å; A254-Y258 PolarHBondContact O-N 3.02Å; A255-Y258 PolarHBondContact O-N 3.04Å; Y258-G262 WeakPolarHBondContact O-CA 3.47Å; Y258-G262 PolarHBondContact O-N 2.96Å
259	V	86.9	Confident	90.9	Very high	54 Å²	54	42.4 Å²	42.4	33%	0.327	24%	0.243	S	C	.	.	H	α-helix	trans	-66.6	-56.5	-173.3	175.3	0	0	0	0	112.3	A255 W257 F261 W267 W595	A255-V259 HydrophobicContact CB-CG2 4.49Å; A255-V259 VanDerWaalsContact O-CB 3.26Å; A255-V259 WeakPolarHBondContact O-CB 3.41Å; A255-V259 VanDerWaalsContact O-CG2 3.29Å; A255-V259 WeakPolarHBondContact O-CG2 3.3Å; A255-V259 PolarHBondContact O-N 2.92Å; W257-V259 PolarHBondContact O-N 3.32Å; V259-F261 PolarHBondContact O-N 3.01Å; V259-W267 HydrophobicContact CG1-CH2 3.6Å; V259-W267 HydrophobicContact CG1-CZ3 4.17Å; V259-W267 WeakPolarHBondContact O-CH2 3.49Å; V259-W267 WeakPolarHBondContact O-CZ3 3.49Å; V259-W595 HydrophobicContact CG1-CH2 4.21Å; V259-W595 HydrophobicContact CG1-CZ3 4.29Å
260	P	83.3	Confident	91	Very high	23 Å²	23	39.6 Å²	39.6	15%	0.149	23%	0.226	C	C	.	.	H	α-helix	trans	-71.1	-28.3	-178.2	27.3	-34.1	0	0	0	113.9	V256 L264 W595	V256-P260 WeakPolarHBondContact O-CD 3.35Å; V256-P260 WeakPolarHBondContact O-CG 3.42Å; P260-L264 WeakPolarHBondContact O-CG 3.21Å; P260-W595 HydrophobicContact CB-CE3 4.23Å
261	F	88.6	Confident	91.2	Very high	19 Å²	19	39 Å²	39	8%	0.083	22%	0.222	C	C	.	.	H	α-helix	trans	-102.1	-39.9	-173.5	-61.1	-68.1	0	0	0	113.4	F131 L206 L209 Q210 L213 W257 V259 L263 L264	F131-F261 HydrophobicContact CZ-CE1 4.34Å; L206-F261 HydrophobicContact CB-CE1 4.2Å; L206-F261 HydrophobicContact CB-CZ 4.47Å; L206-F261 HydrophobicContact CD1-CE1 4.46Å; L206-F261 HydrophobicContact CD1-CZ 4.42Å; L209-F261 HydrophobicContact CD2-CZ 4.27Å; Q210-F261 HydrophobicContact CG-CB 4.44Å; Q210-F261 HydrophobicContact CG-CD1 3.55Å; Q210-F261 HydrophobicContact CG-CD2 4.26Å; Q210-F261 HydrophobicContact CG-CE1 3.75Å; Q210-F261 HydrophobicContact CG-CE2 4.44Å; Q210-F261 HydrophobicContact CG-CG 3.83Å; Q210-F261 HydrophobicContact CG-CZ 4.2Å; Q210-F261 VanDerWaalsContact NE2-CD1 3.29Å; L213-F261 HydrophobicContact CD1-CE2 3.86Å; W257-F261 HydrophobicContact CE3-CB 4.09Å; W257-F261 AromaticContact CE3-CD2 3.46Å; W257-F261 HydrophobicContact CE3-CD2 3.46Å; W257-F261 VanDerWaalsContact CE3-CD2 3.46Å; W257-F261 HydrophobicContact CE3-CE2 4.24Å; W257-F261 HydrophobicContact CE3-CG 4.05Å; W257-F261 HydrophobicContact CH2-CB 3.59Å; W257-F261 HydrophobicContact CH2-CD2 4.39Å; W257-F261 HydrophobicContact CH2-CG 4.15Å; W257-F261 HydrophobicContact CZ2-CB 4.41Å; W257-F261 HydrophobicContact CZ3-CB 3.38Å; W257-F261 HydrophobicContact CZ3-CD1 4.41Å; W257-F261 AromaticContact CZ3-CD2 3.33Å; W257-F261 HydrophobicContact CZ3-CD2 3.33Å; W257-F261 HydrophobicContact CZ3-CE2 4.22Å; W257-F261 AromaticContact CZ3-CG 3.46Å; W257-F261 HydrophobicContact CZ3-CG 3.46Å; W257-F261 VanDerWaalsContact CZ3-CG 3.46Å; W257-F261 WeakPolarHBondContact O-CB 3.42Å; W257-F261 VanDerWaalsContact O-CD2 3.28Å; W257-F261 WeakPolarHBondContact O-CD2 3.46Å; W257-F261 PolarHBondContact O-N 3.35Å; V259-F261 PolarHBondContact O-N 3.01Å; F261-L263 PolarHBondContact O-N 3.31Å; F261-L264 HydrophobicContact CB-CD1 4.47Å; F261-L264 HydrophobicContact CD1-CD1 4.03Å; F261-L264 WeakPolarHBondContact O-CB 3.5Å; F261-L264 WeakPolarHBondContact O-CG 3.4Å; F261-L264 PolarHBondContact O-N 3.31Å
262	G	87.8	Confident	91.4	Very high	41 Å²	41	35.7 Å²	35.7	42%	0.423	20%	0.202	S	C	.	.	H	α-helix	trans	-69.2	-20.2	178.7	0	0	0	0	0	114.2	Y258	Y258-G262 WeakPolarHBondContact O-CA 3.47Å; Y258-G262 PolarHBondContact O-N 2.96Å
263	L	90.3	Very high	91.6	Very high	38 Å²	38	35 Å²	35	20%	0.199	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	8.7	177.6	-61.9	175.2	0	0	0	113.4	F261 R265 T266 W267	F261-L263 PolarHBondContact O-N 3.31Å; L263-R265 VanDerWaalsContact C-N 3.31Å; L263-R265 PolarHBondContact O-N 3.48Å; L263-T266 PolarHBondContact O-N 3.43Å; L263-W267 HydrophobicContact CB-CD2 3.71Å; L263-W267 HydrophobicContact CB-CE3 3.83Å; L263-W267 HydrophobicContact CB-CG 4.33Å; L263-W267 HydrophobicContact CB-CH2 4.09Å; L263-W267 HydrophobicContact CB-CZ2 3.97Å; L263-W267 HydrophobicContact CB-CZ3 4.01Å; L263-W267 HydrophobicContact CD1-CH2 3.58Å; L263-W267 HydrophobicContact CD1-CZ2 3.27Å; L263-W267 HydrophobicContact CD1-CZ3 4.32Å; L263-W267 HydrophobicContact CG-CH2 4.43Å; L263-W267 HydrophobicContact CG-CZ2 4.25Å; L263-W267 WeakPolarHBondContact O-CB 3.32Å; L263-W267 PolarHBondContact O-N 2.89Å
264	L	91.6	Very high	91.9	Very high	4 Å²	4	37 Å²	37	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-52.4	-47.1	-179.5	-82.7	173.6	0	0	0	112.8	F131 D196 V205 P260 F261 T266 W267 N268	F131-L264 HydrophobicContact CD1-CD2 4.06Å; F131-L264 HydrophobicContact CE1-CD2 3.74Å; D196-L264 HydrophobicContact CB-CB 4.27Å; D196-L264 WeakPolarHBondContact OD1-CD1 3.28Å; V205-L264 HydrophobicContact CB-CD1 3.97Å; V205-L264 HydrophobicContact CG1-CD1 4.45Å; V205-L264 HydrophobicContact CG1-CD2 4.37Å; V205-L264 HydrophobicContact CG2-CD1 4.38Å; P260-L264 WeakPolarHBondContact O-CG 3.21Å; F261-L264 HydrophobicContact CB-CD1 4.47Å; F261-L264 HydrophobicContact CD1-CD1 4.03Å; F261-L264 WeakPolarHBondContact O-CB 3.5Å; F261-L264 WeakPolarHBondContact O-CG 3.4Å; F261-L264 PolarHBondContact O-N 3.31Å; L264-T266 VanDerWaalsContact C-N 3.28Å; L264-T266 PolarHBondContact O-N 2.76Å; L264-W267 PolarHBondContact O-N 3.27Å; L264-N268 WeakPolarHBondContact CD2-ND2 3.42Å; L264-N268 WeakPolarHBondContact O-CB 3.33Å; L264-N268 PolarHBondContact O-N 2.93Å
265	R	92.7	Very high	92.2	Very high	98 Å²	98	38.6 Å²	38.6	37%	0.37	20%	0.202	S	C	.	.	H	α-helix	trans	-56	-45.6	177.8	-174.4	177.1	179.9	-151.4	-1.8	111.5	D196 C197 P199 L263 C269 P281	D196-R265 WeakPolarHBondContact O-CB 3.45Å; C197-R265 PolarHBondContact O-NE 3.11Å; C197-R265 VanDerWaalsContact O-NE 3.17Å; P199-R265 VanDerWaalsContact CG-NH1 3.26Å; L263-R265 VanDerWaalsContact C-N 3.31Å; L263-R265 PolarHBondContact O-N 3.48Å; R265-C269 WeakPolarHBondContact O-CB 3.36Å; R265-C269 PolarHBondContact O-N 2.86Å; R265-P281 HydrophobicContact CG-CB 4.09Å
266	T	92.8	Very high	92.4	Very high	33 Å²	33	42 Å²	42	20%	0.202	21%	0.214	C	C	.	.	H	α-helix	trans	-70.2	-39	-179.7	-55.2	0	0	0	0	111.3	L263 L264 Q280 C609	L263-T266 PolarHBondContact O-N 3.43Å; L264-T266 VanDerWaalsContact C-N 3.28Å; L264-T266 PolarHBondContact O-N 2.76Å; T266-Q280 HydrophobicContact CG2-CG 4.25Å; T266-Q280 WeakPolarHBondContact O-CG 3.22Å; T266-Q280 PolarHBondContact O-NE2 2.85Å; T266-C609 HydrophobicContact CG2-CB 4.27Å; T266-C609 WeakPolarHBondContact CG2-O 3.49Å
267	W	93.4	Very high	92.8	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-90	-35.5	-170.4	-70.7	-13.4	0	0	0	115	V259 L263 L264 W595 Q600 F606 P607	V259-W267 HydrophobicContact CG1-CH2 3.6Å; V259-W267 HydrophobicContact CG1-CZ3 4.17Å; V259-W267 WeakPolarHBondContact O-CH2 3.49Å; V259-W267 WeakPolarHBondContact O-CZ3 3.49Å; L263-W267 HydrophobicContact CB-CD2 3.71Å; L263-W267 HydrophobicContact CB-CE3 3.83Å; L263-W267 HydrophobicContact CB-CG 4.33Å; L263-W267 HydrophobicContact CB-CH2 4.09Å; L263-W267 HydrophobicContact CB-CZ2 3.97Å; L263-W267 HydrophobicContact CB-CZ3 4.01Å; L263-W267 HydrophobicContact CD1-CH2 3.58Å; L263-W267 HydrophobicContact CD1-CZ2 3.27Å; L263-W267 HydrophobicContact CD1-CZ3 4.32Å; L263-W267 HydrophobicContact CG-CH2 4.43Å; L263-W267 HydrophobicContact CG-CZ2 4.25Å; L263-W267 WeakPolarHBondContact O-CB 3.32Å; L263-W267 PolarHBondContact O-N 2.89Å; L264-W267 PolarHBondContact O-N 3.27Å; W267-W595 HydrophobicContact CD2-CZ2 4.21Å; W267-W595 HydrophobicContact CE3-CD2 4.48Å; W267-W595 AromaticContact CE3-CE2 3.65Å; W267-W595 HydrophobicContact CE3-CH2 4.29Å; W267-W595 AromaticContact CE3-CZ2 3.57Å; W267-W595 HydrophobicContact CE3-CZ2 3.57Å; W267-W595 AromaticContact CE3-NE1 3.74Å; W267-W595 AromaticContact CH2-CH2 3.27Å; W267-W595 HydrophobicContact CH2-CH2 3.27Å; W267-W595 AromaticContact CH2-CZ2 3.24Å; W267-W595 HydrophobicContact CH2-CZ2 3.24Å; W267-W595 HydrophobicContact CH2-CZ3 4.22Å; W267-W595 HydrophobicContact CZ2-CH2 4.22Å; W267-W595 AromaticContact CZ2-CZ2 3.92Å; W267-W595 HydrophobicContact CZ2-CZ2 3.92Å; W267-W595 HydrophobicContact CZ3-CD2 4.14Å; W267-W595 AromaticContact CZ3-CE2 3.46Å; W267-W595 VanDerWaalsContact CZ3-CE2 3.46Å; W267-W595 HydrophobicContact CZ3-CE3 4.36Å; W267-W595 AromaticContact CZ3-CH2 3.33Å; W267-W595 HydrophobicContact CZ3-CH2 3.33Å; W267-W595 AromaticContact CZ3-CZ2 3.04Å; W267-W595 HydrophobicContact CZ3-CZ2 3.04Å; W267-W595 AromaticContact CZ3-CZ3 3.99Å; W267-W595 HydrophobicContact CZ3-CZ3 3.99Å; W267-Q600 HydrophobicContact CB-CG 4.36Å; W267-Q600 HydrophobicContact CD2-CG 4.45Å; W267-Q600 HydrophobicContact CG-CG 4.09Å; W267-Q600 PolarHBondContact O-NE2 2.96Å; W267-F606 HydrophobicContact CZ2-CE2 4.12Å; W267-F606 HydrophobicContact CZ2-CZ 4.3Å; W267-P607 HydrophobicContact CZ2-CB 3.85Å; W267-P607 PolarHBondContact NE1-O 2.86Å; W267-P607 VanDerWaalsContact NE1-O 3.08Å
268	N	94.4	Very high	93.3	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.032	20%	0.198	C	C	.	.	H	α-helix	trans	-97.8	-27.7	-177.2	-77.7	-6	0	0	0	113	L130 L132 F191 L264 I270	L130-N268 PolarHBondContact O-ND2 2.81Å; L132-N268 VanDerWaalsContact CD1-O 3.31Å; L132-N268 WeakPolarHBondContact CD1-O 3.5Å; L132-N268 PolarHBondContact N-OD1 3.39Å; F191-N268 HydrophobicContact CD1-CB 4.01Å; F191-N268 HydrophobicContact CE1-CB 4.09Å; L264-N268 WeakPolarHBondContact CD2-ND2 3.42Å; L264-N268 WeakPolarHBondContact O-CB 3.33Å; L264-N268 PolarHBondContact O-N 2.93Å; N268-I270 PolarHBondContact O-N 2.8Å
269	C	94.9	Very high	93.6	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.02	17%	0.174	C	C	.	.	S	Bend	trans	-96.4	80.8	-173.9	-48.3	0	0	0	0	110	C197 R265 P281 M282	C197-C269 WeakPolarHBondContact CA-SG 3.39Å; C197-C269 HydrophobicContact CB-CB 3.75Å; C197-C269 WeakPolarHBondContact CB-SG 3.32Å; C197-C269 WeakPolarHBondContact SG-CB 3.28Å; C197-C269 CovalentContact SG-SG 2.04Å; C197-C269 PolarHBondContact SG-SG 2.91Å; R265-C269 WeakPolarHBondContact O-CB 3.36Å; R265-C269 PolarHBondContact O-N 2.86Å; C269-P281 CarbonylContact O-C 3.53Å; C269-P281 WeakPolarHBondContact O-CA 3.32Å; C269-M282 HydrophobicContact CB-CE 3.56Å; C269-M282 HydrophobicContact CB-CG 3.91Å; C269-M282 PolarHBondContact O-N 2.99Å
270	I	96.4	Very high	94.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.159	C	C	.	.			trans	-126.2	155.6	-176.6	74.8	-179.2	0	0	0	111.8	L132 P190 N268 M272 V277 E279 Q280 P601	L132-I270 HydrophobicContact CD1-CD1 3.55Å; L132-I270 HydrophobicContact CD1-CG1 3.65Å; P190-I270 HydrophobicContact CG-CD1 3.99Å; P190-I270 HydrophobicContact CG-CG1 3.84Å; N268-I270 PolarHBondContact O-N 2.8Å; I270-M272 HydrophobicContact CD1-CG 4.02Å; I270-M272 HydrophobicContact CD1-SD 4.18Å; I270-M272 HydrophobicContact CG1-CG 4.27Å; I270-V277 HydrophobicContact CB-CG1 4.06Å; I270-V277 HydrophobicContact CD1-CG1 4.09Å; I270-V277 HydrophobicContact CD1-CG2 3.85Å; I270-V277 HydrophobicContact CG2-CG1 4.44Å; I270-E279 WeakPolarHBondContact CA-O 3.06Å; I270-Q280 HydrophobicContact CG2-CB 4.18Å; I270-Q280 HydrophobicContact CG2-CG 3.72Å; I270-P601 HydrophobicContact CD1-CB 3.82Å; I270-P601 HydrophobicContact CD1-CG 4.48Å
271	I	97.3	Very high	94.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.6	165.1	-54.9	-58.8	0	0	0	109.2	Y187 G188 I278 E279 M282 L287	Y187-I271 HydrophobicContact CE2-CG2 4.21Å; G188-I271 WeakPolarHBondContact O-CA 3.26Å; I271-I278 HydrophobicContact CB-CG1 4.29Å; I271-I278 HydrophobicContact CG2-CD1 3.88Å; I271-I278 HydrophobicContact CG2-CG1 3.95Å; I271-I278 WeakPolarHBondContact O-CG1 3.49Å; I271-I278 PolarHBondContact O-N 3.04Å; I271-E279 HydrophobicContact CB-CB 3.96Å; I271-E279 HydrophobicContact CG1-CB 4.24Å; I271-E279 WeakPolarHBondContact CG1-OE2 3.46Å; I271-E279 PolarHBondContact N-O 3.22Å; I271-E279 PolarHBondContact O-N 2.91Å; I271-M282 HydrophobicContact CD1-CB 3.99Å; I271-M282 HydrophobicContact CD1-SD 4.25Å; I271-M282 HydrophobicContact CG1-CB 3.76Å; I271-L287 HydrophobicContact CD1-CD1 3.57Å; I271-L287 HydrophobicContact CD1-CD2 4.39Å; I271-L287 HydrophobicContact CG1-CD1 4.42Å
272	M	97.9	Very high	94.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144.8	173.6	-66.1	-175.3	73.3	0	0	110.6	F186 Y187 G188 P190 I270 Q275 D276 V277	F186-M272 HydrophobicContact CD1-CB 4.21Å; F186-M272 HydrophobicContact CE1-CB 3.72Å; Y187-M272 WeakPolarHBondContact CA-O 3.39Å; G188-M272 PolarHBondContact N-O 3.21Å; G188-M272 PolarHBondContact O-N 3.39Å; P190-M272 HydrophobicContact CB-SD 3.85Å; P190-M272 HydrophobicContact CG-CG 4.03Å; P190-M272 HydrophobicContact CG-SD 3.54Å; P190-M272 VanDerWaalsContact CG-SD 3.54Å; I270-M272 HydrophobicContact CD1-CG 4.02Å; I270-M272 HydrophobicContact CD1-SD 4.18Å; I270-M272 HydrophobicContact CG1-CG 4.27Å; M272-Q275 VanDerWaalsContact CE-C 3.42Å; M272-Q275 WeakPolarHBondContact CE-O 3.38Å; M272-D276 CarbonylContact C-O 3.55Å; M272-D276 WeakPolarHBondContact CA-O 3.42Å; M272-V277 HydrophobicContact CE-CG2 4.4Å; M272-V277 HydrophobicContact CG-CG2 4.15Å
273	R	97.9	Very high	95	Very high	50 Å²	50	31 Å²	31	19%	0.189	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	111.4	166.9	-177.3	-179	-66	-137.4	-9.6	106.6	F186 Y187 Q275 D276 I278 E294 E613	F186-R273 CarbonylContact O-C 3.45Å; F186-R273 WeakPolarHBondContact O-CA 3.34Å; Y187-R273 HydrophobicContact CD2-CB 4.32Å; Y187-R273 HydrophobicContact CD2-CG 4.43Å; R273-Q275 PolarHBondContact O-N 3.34Å; R273-D276 PolarHBondContact N-O 2.93Å; R273-D276 PolarHBondContact O-N 3.34Å; R273-I278 HydrophobicContact CB-CD1 3.81Å; R273-I278 HydrophobicContact CB-CG1 4.15Å; R273-I278 HydrophobicContact CB-CG2 3.83Å; R273-E294 IonicContact CZ-OE1 2.78Å; R273-E294 IonicContact NH1-OE1 3.44Å; R273-E294 IonicContact NH2-OE1 2.86Å; R273-E294 PolarHBondContact NH2-OE1 2.97Å; R273-E613 IonicContact CZ-OE1 4Å; R273-E613 IonicContact NE-OE1 3.21Å; R273-E613 IonicContact NH2-OE1 2.74Å; R273-E613 PolarHBondContact NH2-OE1 2.99Å
274	N	97.7	Very high	95.1	Very high	55 Å²	55	29.7 Å²	29.7	29%	0.294	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-131.5	-161.1	-57.5	-46.9	0	0	0	109.7	H177 N179 Y185 F186 D276	H177-N274 PolarHBondContact CE1-O 3.15Å; H177-N274 PolarHBondContact NE2-O 2.89Å; N179-N274 PolarHBondContact ND2-OD1 2.75Å; N179-N274 WeakPolarHBondContact OD1-CA 3.32Å; N179-N274 WeakPolarHBondContact OD1-CB 3.4Å; Y185-N274 WeakPolarHBondContact CA-OD1 3.31Å; F186-N274 PolarHBondContact N-OD1 3.49Å; F186-N274 PolarHBondContact O-N 2.88Å; N274-D276 VanDerWaalsContact C-N 3.29Å; N274-D276 PolarHBondContact O-N 3.47Å
275	Q	96.8	Very high	95	Very high	72 Å²	72	35 Å²	35	34%	0.336	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-5.7	-175.8	-70	174.8	-17.1	0	0	113.8	H174 Q180 M272 R273	H174-Q275 HydrophobicContact CB-CG 4.2Å; H174-Q275 PolarHBondContact CE1-O 3.02Å; Q180-Q275 VanDerWaalsContact NE2-NE2 3.14Å; M272-Q275 VanDerWaalsContact CE-C 3.42Å; M272-Q275 WeakPolarHBondContact CE-O 3.38Å; R273-Q275 PolarHBondContact O-N 3.34Å
276	D	96.3	Very high	94.9	Very high	116 Å²	116	33.4 Å²	33.4	62%	0.62	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	133.3	-176.9	-62.7	-48.7	0	0	0	111.6	M272 R273 N274 I278	M272-D276 CarbonylContact C-O 3.55Å; M272-D276 WeakPolarHBondContact CA-O 3.42Å; R273-D276 PolarHBondContact N-O 2.93Å; R273-D276 PolarHBondContact O-N 3.34Å; N274-D276 VanDerWaalsContact C-N 3.29Å; N274-D276 PolarHBondContact O-N 3.47Å; D276-I278 HydrophobicContact CB-CG2 4.42Å; D276-I278 PolarHBondContact O-N 3.46Å
277	V	97.1	Very high	94.9	Very high	26 Å²	26	31.9 Å²	31.9	16%	0.158	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	111.5	168.9	-175.5	0	0	0	0	108.3	I270 M272 Q280 P601 C603	I270-V277 HydrophobicContact CB-CG1 4.06Å; I270-V277 HydrophobicContact CD1-CG1 4.09Å; I270-V277 HydrophobicContact CD1-CG2 3.85Å; I270-V277 HydrophobicContact CG2-CG1 4.44Å; M272-V277 HydrophobicContact CE-CG2 4.4Å; M272-V277 HydrophobicContact CG-CG2 4.15Å; V277-Q280 HydrophobicContact CG1-CB 4.13Å; V277-P601 HydrophobicContact CG2-CB 3.92Å; V277-C603 HydrophobicContact CB-CB 4.16Å; V277-C603 HydrophobicContact CG1-CB 4.18Å
278	I	96.3	Very high	95	Very high	32 Å²	32	31.8 Å²	31.8	16%	0.164	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-18.5	-175	56.2	156.1	0	0	0	113.3	Y187 I271 R273 D276 K612 E613	Y187-I278 HydrophobicContact CD2-CD1 4.29Å; Y187-I278 HydrophobicContact CE2-CD1 3.69Å; I271-I278 HydrophobicContact CB-CG1 4.29Å; I271-I278 HydrophobicContact CG2-CD1 3.88Å; I271-I278 HydrophobicContact CG2-CG1 3.95Å; I271-I278 WeakPolarHBondContact O-CG1 3.49Å; I271-I278 PolarHBondContact O-N 3.04Å; R273-I278 HydrophobicContact CB-CD1 3.81Å; R273-I278 HydrophobicContact CB-CG1 4.15Å; R273-I278 HydrophobicContact CB-CG2 3.83Å; D276-I278 HydrophobicContact CB-CG2 4.42Å; D276-I278 PolarHBondContact O-N 3.46Å; I278-K612 CarbonylContact O-C 3.5Å; I278-E613 HydrophobicContact CD1-CB 4.4Å; I278-E613 HydrophobicContact CD1-CG 4Å; I278-E613 VanDerWaalsContact CD1-OE1 3.24Å; I278-E613 WeakPolarHBondContact CD1-OE1 3.31Å; I278-E613 WeakPolarHBondContact O-CA 3.36Å; I278-E613 PolarHBondContact O-N 3.07Å
279	E	95.9	Very high	95	Very high	11 Å²	11	34.7 Å²	34.7	5%	0.051	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	127.7	176.2	-165.7	-177.7	-146.7	0	0	110.9	I270 I271 T283 R290 E613	I270-E279 WeakPolarHBondContact CA-O 3.06Å; I271-E279 HydrophobicContact CB-CB 3.96Å; I271-E279 HydrophobicContact CG1-CB 4.24Å; I271-E279 WeakPolarHBondContact CG1-OE2 3.46Å; I271-E279 PolarHBondContact N-O 3.22Å; I271-E279 PolarHBondContact O-N 2.91Å; E279-T283 VanDerWaalsContact CD-N 3.34Å; E279-T283 WeakPolarHBondContact OE1-CB 3.23Å; E279-T283 PolarHBondContact OE1-N 3.43Å; E279-T283 PolarHBondContact OE1-OG1 2.98Å; E279-T283 PolarHBondContact OE2-N 3.25Å; E279-R290 IonicContact OE1-NH1 3.97Å; E279-R290 IonicContact OE2-CZ 3.73Å; E279-R290 VanDerWaalsContact OE2-CZ 3.3Å; E279-R290 IonicContact OE2-NH1 3.72Å; E279-R290 PolarHBondContact OE2-NH1 2.71Å; E279-R290 IonicContact OE2-NH2 2.93Å; E279-R290 PolarHBondContact OE2-NH2 2.77Å; E279-E613 HydrophobicContact CB-CB 4.48Å
280	Q	95.8	Very high	95	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.019	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-155.1	120.3	-178.5	-172.9	164.2	27.8	0	0	110.8	T266 I270 V277 P601 C602 C603 C609 G610 C611	T266-Q280 HydrophobicContact CG2-CG 4.25Å; T266-Q280 WeakPolarHBondContact O-CG 3.22Å; T266-Q280 PolarHBondContact O-NE2 2.85Å; I270-Q280 HydrophobicContact CG2-CB 4.18Å; I270-Q280 HydrophobicContact CG2-CG 3.72Å; V277-Q280 HydrophobicContact CG1-CB 4.13Å; Q280-P601 PolarHBondContact NE2-O 3.47Å; Q280-C602 VanDerWaalsContact OE1-CA 3.3Å; Q280-C603 WeakPolarHBondContact CB-SG 3.35Å; Q280-C603 PolarHBondContact OE1-SG 2.61Å; Q280-C609 VanDerWaalsContact CD-CB 3.47Å; Q280-C609 HydrophobicContact CG-CB 4.31Å; Q280-C609 VanDerWaalsContact OE1-CB 3.31Å; Q280-G610 WeakPolarHBondContact O-CA 3.47Å; Q280-C611 PolarHBondContact N-O 2.87Å; Q280-C611 PolarHBondContact O-N 2.89Å; Q280-C611 VanDerWaalsContact O-N 3.16Å
281	P	94	Very high	95.1	Very high	47 Å²	47	36.3 Å²	36.3	31%	0.305	19%	0.186	S	C	.	.	S	Bend	cis	-65.4	157.2	-13.5	31.1	-35.7	0	0	0	111.6	R265 C269	R265-P281 HydrophobicContact CG-CB 4.09Å; C269-P281 CarbonylContact O-C 3.53Å; C269-P281 WeakPolarHBondContact O-CA 3.32Å
282	M	93.6	Very high	95.1	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.025	19%	0.188	C	C	.	.			trans	-64.1	146.3	178.9	69.9	167.4	108.2	0	0	112.3	L189 L193 C269 I271 V284 L287	L189-M282 HydrophobicContact CB-CE 4.49Å; L193-M282 HydrophobicContact CD1-CE 4.01Å; L193-M282 HydrophobicContact CD1-SD 3.94Å; C269-M282 HydrophobicContact CB-CE 3.56Å; C269-M282 HydrophobicContact CB-CG 3.91Å; C269-M282 PolarHBondContact O-N 2.99Å; I271-M282 HydrophobicContact CD1-CB 3.99Å; I271-M282 HydrophobicContact CD1-SD 4.25Å; I271-M282 HydrophobicContact CG1-CB 3.76Å; M282-V284 HydrophobicContact CG-CG2 4.02Å; M282-V284 HydrophobicContact SD-CG2 4.12Å; M282-L287 HydrophobicContact SD-CD2 4.12Å
283	T	92.1	Very high	95.2	Very high	48 Å²	48	38.5 Å²	38.5	29%	0.294	20%	0.204	S	C	.	.			trans	-92.9	98.5	171.2	-53.9	0	0	0	0	109.4	E279 E285	E279-T283 VanDerWaalsContact CD-N 3.34Å; E279-T283 WeakPolarHBondContact OE1-CB 3.23Å; E279-T283 PolarHBondContact OE1-N 3.43Å; E279-T283 PolarHBondContact OE1-OG1 2.98Å; E279-T283 PolarHBondContact OE2-N 3.25Å; T283-E285 VanDerWaalsContact C-N 3.31Å; T283-E285 WeakPolarHBondContact CG2-OE2 3.37Å; T283-E285 PolarHBondContact O-N 2.74Å
284	V	91.8	Very high	95.2	Very high	9 Å²	9	36.9 Å²	36.9	6%	0.055	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-66	-33.7	-173.2	180	0	0	0	0	111.7	L193 C197 V198 M282 T286 L287 F321	L193-V284 HydrophobicContact CD1-CG2 4.41Å; C197-V284 HydrophobicContact CB-CG2 4.46Å; V198-V284 HydrophobicContact CG2-CB 4.14Å; V198-V284 HydrophobicContact CG2-CG1 4.05Å; V198-V284 HydrophobicContact CG2-CG2 3.9Å; M282-V284 HydrophobicContact CG-CG2 4.02Å; M282-V284 HydrophobicContact SD-CG2 4.12Å; V284-T286 PolarHBondContact O-N 2.79Å; V284-T286 VanDerWaalsContact O-N 3.17Å; V284-L287 WeakPolarHBondContact O-CB 3.25Å; V284-L287 PolarHBondContact O-N 3.09Å; V284-F321 HydrophobicContact CG1-CD1 3.58Å; V284-F321 HydrophobicContact CG1-CE1 3.42Å; V284-F321 VanDerWaalsContact CG1-CE1 3.42Å; V284-F321 HydrophobicContact CG1-CZ 4.46Å; V284-F321 VanDerWaalsContact O-CD1 3.29Å; V284-F321 WeakPolarHBondContact O-CD1 3.44Å; V284-F321 WeakPolarHBondContact O-CE1 3.42Å
285	E	88.9	Confident	95.2	Very high	116 Å²	116	34.3 Å²	34.3	54%	0.542	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-64.7	-25	-171.8	-59.6	80.1	-178.6	0	0	114.1	T283	T283-E285 VanDerWaalsContact C-N 3.31Å; T283-E285 WeakPolarHBondContact CG2-OE2 3.37Å; T283-E285 PolarHBondContact O-N 2.74Å
286	T	91	Very high	95.3	Very high	65 Å²	65	32.6 Å²	32.6	40%	0.399	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-112.5	-1.8	-178.8	60	0	0	0	0	113	V284 Q289 R290	V284-T286 PolarHBondContact O-N 2.79Å; V284-T286 VanDerWaalsContact O-N 3.17Å; T286-Q289 PolarHBondContact O-N 3.38Å; T286-Q289 PolarHBondContact O-OE1 2.93Å; T286-R290 WeakPolarHBondContact O-CD 3.3Å; T286-R290 WeakPolarHBondContact O-CG 3.47Å; T286-R290 PolarHBondContact O-N 3.44Å; T286-R290 VanDerWaalsContact O-N 3.13Å; T286-R290 WeakPolarHBondContact OG1-CD 3.2Å
287	L	93.7	Very high	95.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-44.4	-175.3	-177.4	61.9	0	0	0	112.5	L189 I271 M282 V284 Q289 R290 L291 F321	L189-L287 HydrophobicContact CD2-CD2 4.38Å; I271-L287 HydrophobicContact CD1-CD1 3.57Å; I271-L287 HydrophobicContact CD1-CD2 4.39Å; I271-L287 HydrophobicContact CG1-CD1 4.42Å; M282-L287 HydrophobicContact SD-CD2 4.12Å; V284-L287 WeakPolarHBondContact O-CB 3.25Å; V284-L287 PolarHBondContact O-N 3.09Å; L287-Q289 VanDerWaalsContact C-N 3.33Å; L287-Q289 PolarHBondContact O-N 3.01Å; L287-R290 PolarHBondContact O-N 3.25Å; L287-L291 HydrophobicContact CD1-CD1 4.13Å; L287-L291 HydrophobicContact CD1-CD2 4.08Å; L287-L291 HydrophobicContact CD1-CG 3.81Å; L287-L291 HydrophobicContact CG-CD1 3.94Å; L287-L291 HydrophobicContact CG-CG 4.07Å; L287-L291 WeakPolarHBondContact O-CB 3.48Å; L287-L291 VanDerWaalsContact O-CG 3.28Å; L287-L291 WeakPolarHBondContact O-CG 3.46Å; L287-L291 PolarHBondContact O-N 2.9Å; L287-F321 HydrophobicContact CB-CE1 4.09Å; L287-F321 HydrophobicContact CD2-CE1 4.17Å; L287-F321 HydrophobicContact CD2-CZ 4.19Å
288	P	94.9	Very high	95.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-52.6	-47.9	178.1	-30.6	38.9	0	0	0	113.6	L291 L292 F321 I345	P288-L291 PolarHBondContact O-N 2.91Å; P288-L292 PolarHBondContact O-N 2.95Å; P288-F321 HydrophobicContact CG-CB 4.2Å; P288-F321 HydrophobicContact CG-CD1 3.57Å; P288-F321 HydrophobicContact CG-CD2 4.08Å; P288-F321 HydrophobicContact CG-CE1 3.91Å; P288-F321 HydrophobicContact CG-CE2 4.4Å; P288-F321 HydrophobicContact CG-CG 3.68Å; P288-F321 HydrophobicContact CG-CZ 4.33Å; P288-I345 HydrophobicContact CB-CD1 4.46Å
289	Q	94.8	Very high	95.6	Very high	67 Å²	67	27.8 Å²	27.8	31%	0.313	15%	0.15	S	C	.	.	H	α-helix	trans	-73.4	-35.8	-176.2	-61	76.9	18.7	0	0	111.5	T286 L287 L292 A293 E341	T286-Q289 PolarHBondContact O-N 3.38Å; T286-Q289 PolarHBondContact O-OE1 2.93Å; L287-Q289 VanDerWaalsContact C-N 3.33Å; L287-Q289 PolarHBondContact O-N 3.01Å; Q289-L292 PolarHBondContact O-N 2.89Å; Q289-A293 VanDerWaalsContact O-CB 3.31Å; Q289-A293 WeakPolarHBondContact O-CB 3.28Å; Q289-A293 PolarHBondContact O-N 3.41Å; Q289-E341 PolarHBondContact NE2-OE1 3.03Å; Q289-E341 VanDerWaalsContact NE2-OE1 3.16Å
290	R	95.9	Very high	95.8	Very high	37 Å²	37	32.4 Å²	32.4	14%	0.14	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-46.1	174	-74	163	65.4	-156.9	0.7	111.5	Y187 E279 T286 L287 A293 E294 E613	Y187-R290 HydrophobicContact CE1-CB 4.28Å; Y187-R290 PolarHBondContact OH-NE 3.34Å; Y187-R290 PolarHBondContact OH-NH2 3.2Å; E279-R290 IonicContact OE1-NH1 3.97Å; E279-R290 IonicContact OE2-CZ 3.73Å; E279-R290 VanDerWaalsContact OE2-CZ 3.3Å; E279-R290 IonicContact OE2-NH1 3.72Å; E279-R290 PolarHBondContact OE2-NH1 2.71Å; E279-R290 IonicContact OE2-NH2 2.93Å; E279-R290 PolarHBondContact OE2-NH2 2.77Å; T286-R290 WeakPolarHBondContact O-CD 3.3Å; T286-R290 WeakPolarHBondContact O-CG 3.47Å; T286-R290 PolarHBondContact O-N 3.44Å; T286-R290 VanDerWaalsContact O-N 3.13Å; T286-R290 WeakPolarHBondContact OG1-CD 3.2Å; L287-R290 PolarHBondContact O-N 3.25Å; R290-A293 PolarHBondContact O-N 3.03Å; R290-E294 PolarHBondContact O-N 3.42Å; R290-E613 IonicContact CZ-OE2 2.82Å; R290-E613 IonicContact NE-OE2 3.42Å; R290-E613 PolarHBondContact NE-OE2 3.19Å; R290-E613 IonicContact NH2-OE2 2.74Å; R290-E613 PolarHBondContact NH2-OE2 3.11Å
291	L	97.6	Very high	95.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-46.2	175.9	-70.4	-177.1	0	0	0	111.6	V159 Y187 L287 P288 E294 A295 F311	V159-L291 HydrophobicContact CG1-CB 4.29Å; V159-L291 HydrophobicContact CG1-CD2 3.89Å; V159-L291 WeakPolarHBondContact CG1-O 3.28Å; Y187-L291 HydrophobicContact CD1-CD2 3.9Å; Y187-L291 HydrophobicContact CE1-CD2 4.01Å; L287-L291 HydrophobicContact CD1-CD1 4.13Å; L287-L291 HydrophobicContact CD1-CD2 4.08Å; L287-L291 HydrophobicContact CD1-CG 3.81Å; L287-L291 HydrophobicContact CG-CD1 3.94Å; L287-L291 HydrophobicContact CG-CG 4.07Å; L287-L291 WeakPolarHBondContact O-CB 3.48Å; L287-L291 VanDerWaalsContact O-CG 3.28Å; L287-L291 WeakPolarHBondContact O-CG 3.46Å; L287-L291 PolarHBondContact O-N 2.9Å; P288-L291 PolarHBondContact O-N 2.91Å; L291-E294 PolarHBondContact O-N 3.29Å; L291-A295 WeakPolarHBondContact O-CB 3.28Å; L291-A295 PolarHBondContact O-N 2.7Å; L291-F311 HydrophobicContact CB-CE2 4.04Å; L291-F311 HydrophobicContact CB-CZ 4.42Å
292	L	98.3	Very high	96.1	Very high	8 Å²	8	37 Å²	37	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-60.3	-46.6	175.2	172.5	60.9	0	0	0	111.7	P288 Q289 E294 A295 Q296 W344 I345 K348 I349	P288-L292 PolarHBondContact O-N 2.95Å; Q289-L292 PolarHBondContact O-N 2.89Å; L292-E294 PolarHBondContact O-N 3.13Å; L292-A295 PolarHBondContact O-N 2.96Å; L292-Q296 HydrophobicContact CD1-CG 3.87Å; L292-Q296 HydrophobicContact CG-CG 4.42Å; L292-Q296 WeakPolarHBondContact O-CG 3.31Å; L292-Q296 PolarHBondContact O-N 2.83Å; L292-W344 HydrophobicContact CD2-CE3 4.32Å; L292-W344 HydrophobicContact CD2-CH2 3.47Å; L292-W344 VanDerWaalsContact CD2-CH2 3.47Å; L292-W344 HydrophobicContact CD2-CZ2 4.44Å; L292-W344 HydrophobicContact CD2-CZ3 3.4Å; L292-W344 VanDerWaalsContact CD2-CZ3 3.4Å; L292-I345 HydrophobicContact CD1-CG2 4.22Å; L292-I345 HydrophobicContact CD2-CG1 4.42Å; L292-K348 HydrophobicContact CD1-CB 3.8Å; L292-K348 HydrophobicContact CD2-CB 4.01Å; L292-K348 HydrophobicContact CD2-CG 4.13Å; L292-I349 HydrophobicContact CD1-CD1 3.81Å; L292-I349 HydrophobicContact CD1-CG1 4.16Å
293	A	98.2	Very high	96.2	Very high	40 Å²	40	38.5 Å²	38.5	33%	0.331	20%	0.195	S	C	.	.	H	α-helix	trans	-60.5	-44.1	-179.6	0	0	0	0	0	111.8	Q289 R290 Q296 N297	Q289-A293 VanDerWaalsContact O-CB 3.31Å; Q289-A293 WeakPolarHBondContact O-CB 3.28Å; Q289-A293 PolarHBondContact O-N 3.41Å; R290-A293 PolarHBondContact O-N 3.03Å; A293-Q296 PolarHBondContact O-N 2.84Å; A293-N297 VanDerWaalsContact O-CB 3.26Å; A293-N297 WeakPolarHBondContact O-CB 3.36Å; A293-N297 PolarHBondContact O-N 3.49Å; A293-N297 PolarHBondContact O-ND2 3.45Å
294	E	98.1	Very high	96.4	Very high	16 Å²	16	42.5 Å²	42.5	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-40.2	177.9	-73.1	-71.6	-165.4	0	0	112.3	V159 Y185 Y187 R273 R290 L291 L292 N297 F298 R301	V159-E294 HydrophobicContact CG1-CB 4.25Å; V159-E294 HydrophobicContact CG2-CB 4.45Å; Y185-E294 PolarHBondContact OH-OE1 2.67Å; Y185-E294 PolarHBondContact OH-OE2 3.1Å; Y187-E294 HydrophobicContact CD1-CB 3.98Å; Y187-E294 HydrophobicContact CD1-CG 3.66Å; Y187-E294 HydrophobicContact CD2-CG 4.01Å; Y187-E294 HydrophobicContact CE1-CB 4.47Å; Y187-E294 HydrophobicContact CE1-CG 3.83Å; Y187-E294 HydrophobicContact CE2-CG 4.16Å; Y187-E294 HydrophobicContact CG-CB 4.21Å; Y187-E294 HydrophobicContact CG-CG 3.74Å; R273-E294 IonicContact CZ-OE1 2.78Å; R273-E294 IonicContact NH1-OE1 3.44Å; R273-E294 IonicContact NH2-OE1 2.86Å; R273-E294 PolarHBondContact NH2-OE1 2.97Å; R290-E294 PolarHBondContact O-N 3.42Å; L291-E294 PolarHBondContact O-N 3.29Å; L292-E294 PolarHBondContact O-N 3.13Å; E294-N297 PolarHBondContact O-N 3.13Å; E294-F298 WeakPolarHBondContact O-CB 2.96Å; E294-F298 PolarHBondContact O-N 3.32Å; E294-R301 IonicContact OE2-NH2 3.8Å; E294-R301 PolarHBondContact OE2-NH2 2.91Å
295	A	98.8	Very high	96.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-47.6	174.2	0	0	0	0	0	112.1	V159 L291 L292 N297 F298 I299 L309 F311 I349	V159-A295 HydrophobicContact CG1-CB 4.39Å; L291-A295 WeakPolarHBondContact O-CB 3.28Å; L291-A295 PolarHBondContact O-N 2.7Å; L292-A295 PolarHBondContact O-N 2.96Å; A295-N297 PolarHBondContact O-N 2.99Å; A295-F298 PolarHBondContact O-N 3.03Å; A295-I299 WeakPolarHBondContact O-CG1 3.48Å; A295-I299 PolarHBondContact O-N 2.83Å; A295-I299 VanDerWaalsContact O-N 3.12Å; A295-L309 HydrophobicContact CB-CD2 4.04Å; A295-F311 HydrophobicContact CB-CD1 4.2Å; A295-F311 HydrophobicContact CB-CD2 4.22Å; A295-F311 HydrophobicContact CB-CE1 4.13Å; A295-F311 HydrophobicContact CB-CE2 4.18Å; A295-F311 HydrophobicContact CB-CG 4.23Å; A295-F311 HydrophobicContact CB-CZ 4.12Å; A295-I349 HydrophobicContact CB-CD1 3.72Å
296	Q	98.8	Very high	97	Very high	37 Å²	37	43.5 Å²	43.5	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-42.6	176.8	-68.8	-176.9	-61.6	0	0	111.9	L292 A293 F298 I299 K300 I349 T352	L292-Q296 HydrophobicContact CD1-CG 3.87Å; L292-Q296 HydrophobicContact CG-CG 4.42Å; L292-Q296 WeakPolarHBondContact O-CG 3.31Å; L292-Q296 PolarHBondContact O-N 2.83Å; A293-Q296 PolarHBondContact O-N 2.84Å; Q296-F298 VanDerWaalsContact C-N 3.33Å; Q296-F298 PolarHBondContact O-N 3.01Å; Q296-I299 PolarHBondContact O-N 3.46Å; Q296-K300 VanDerWaalsContact O-CG 3.27Å; Q296-K300 WeakPolarHBondContact O-CG 3.43Å; Q296-K300 PolarHBondContact O-N 3.08Å; Q296-I349 HydrophobicContact CG-CD1 4.14Å; Q296-T352 HydrophobicContact CB-CG2 4.35Å; Q296-T352 HydrophobicContact CG-CG2 4.41Å; Q296-T352 WeakPolarHBondContact CG-OG1 3.45Å; Q296-T352 PolarHBondContact NE2-OG1 3.09Å
297	N	98.6	Very high	97.4	Very high	66 Å²	66	40.4 Å²	40.4	35%	0.353	20%	0.197	S	C	.	.	H	α-helix	trans	-67.6	-33.9	178.9	-71.7	-21.3	0	0	0	111.9	A293 E294 A295 R301	A293-N297 VanDerWaalsContact O-CB 3.26Å; A293-N297 WeakPolarHBondContact O-CB 3.36Å; A293-N297 PolarHBondContact O-N 3.49Å; A293-N297 PolarHBondContact O-ND2 3.45Å; E294-N297 PolarHBondContact O-N 3.13Å; A295-N297 PolarHBondContact O-N 2.99Å; N297-R301 VanDerWaalsContact O-CB 3.29Å; N297-R301 WeakPolarHBondContact O-CB 3.46Å; N297-R301 VanDerWaalsContact O-CG 3.22Å; N297-R301 WeakPolarHBondContact O-CG 3.36Å; N297-R301 PolarHBondContact O-N 2.77Å; N297-R301 PolarHBondContact O-NE 3.3Å; N297-R301 VanDerWaalsContact O-NE 3.08Å
298	F	98.8	Very high	97.6	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-47.1	173.1	179.8	-90.2	0	0	0	111.2	T155 Y185 E294 A295 Q296 R301 N302 F307 L308 L309	T155-F298 HydrophobicContact CG2-CE2 4.16Å; T155-F298 HydrophobicContact CG2-CZ 4.12Å; Y185-F298 AromaticContact CD1-CD2 3.84Å; Y185-F298 HydrophobicContact CD1-CD2 3.84Å; Y185-F298 HydrophobicContact CD1-CE2 4.34Å; Y185-F298 HydrophobicContact CG-CD2 4.34Å; E294-F298 WeakPolarHBondContact O-CB 2.96Å; E294-F298 PolarHBondContact O-N 3.32Å; A295-F298 PolarHBondContact O-N 3.03Å; Q296-F298 VanDerWaalsContact C-N 3.33Å; Q296-F298 PolarHBondContact O-N 3.01Å; F298-R301 PolarHBondContact O-N 3.02Å; F298-N302 PolarHBondContact O-N 2.9Å; F298-N302 PolarHBondContact O-ND2 3.07Å; F298-F307 HydrophobicContact CE1-CB 4.1Å; F298-F307 HydrophobicContact CE1-CD2 4.02Å; F298-F307 HydrophobicContact CE1-CG 4.31Å; F298-F307 HydrophobicContact CZ-CB 4.45Å; F298-L308 WeakPolarHBondContact CE1-O 3.17Å; F298-L308 WeakPolarHBondContact CZ-O 2.97Å; F298-L309 HydrophobicContact CD1-CB 3.98Å; F298-L309 HydrophobicContact CD1-CD1 3.96Å; F298-L309 HydrophobicContact CD1-CG 4.43Å; F298-L309 HydrophobicContact CE1-CB 4.01Å; F298-L309 HydrophobicContact CG-CD1 4.4Å
299	I	98.8	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-50.9	177	-65.4	166.3	0	0	0	110.3	A295 Q296 R301 N302 A303 F307 L309 I349 T352 V353 L356 L358	A295-I299 WeakPolarHBondContact O-CG1 3.48Å; A295-I299 PolarHBondContact O-N 2.83Å; A295-I299 VanDerWaalsContact O-N 3.12Å; Q296-I299 PolarHBondContact O-N 3.46Å; I299-R301 VanDerWaalsContact C-N 3.34Å; I299-R301 PolarHBondContact O-N 2.79Å; I299-N302 CarbonylContact O-C 3.55Å; I299-N302 PolarHBondContact O-N 3.24Å; I299-N302 VanDerWaalsContact O-N 3.12Å; I299-A303 PolarHBondContact O-N 2.83Å; I299-A303 VanDerWaalsContact O-N 3.11Å; I299-F307 HydrophobicContact CB-CZ 4.43Å; I299-F307 HydrophobicContact CG1-CE2 4.14Å; I299-F307 HydrophobicContact CG1-CZ 4.23Å; I299-F307 HydrophobicContact CG2-CE1 4.42Å; I299-F307 HydrophobicContact CG2-CZ 3.92Å; I299-L309 HydrophobicContact CD1-CD2 3.77Å; I299-L309 HydrophobicContact CG1-CD2 3.84Å; I299-I349 HydrophobicContact CD1-CD1 4.44Å; I299-I349 HydrophobicContact CD1-CG2 4.17Å; I299-T352 HydrophobicContact CB-CG2 4.35Å; I299-T352 HydrophobicContact CG2-CG2 4.16Å; I299-V353 HydrophobicContact CD1-CG2 4.08Å; I299-V353 HydrophobicContact CG2-CG2 4.33Å; I299-L356 HydrophobicContact CG2-CD1 3.75Å; I299-L358 HydrophobicContact CG2-CD1 4.31Å
300	K	98.6	Very high	98	Very high	107 Å²	107	37.3 Å²	37.3	47%	0.465	18%	0.183	S	C	.	.	H	α-helix	trans	-58.5	-43.1	-178.8	-71.3	168.8	-175.1	174.1	0	112.6	Q296 N302 A303 T352 L356	Q296-K300 VanDerWaalsContact O-CG 3.27Å; Q296-K300 WeakPolarHBondContact O-CG 3.43Å; Q296-K300 PolarHBondContact O-N 3.08Å; K300-N302 PolarHBondContact O-N 3.13Å; K300-A303 PolarHBondContact O-N 2.89Å; K300-T352 HydrophobicContact CG-CG2 4.31Å; K300-L356 HydrophobicContact CG-CD1 4.11Å
301	R	98.1	Very high	98.2	Very high	137 Å²	137	35.6 Å²	35.6	52%	0.517	18%	0.176	S	C	.	.	H	α-helix	trans	-68.3	-17.8	-179.9	-76.7	-178.9	-88.9	-169	-3.8	113.7	E294 N297 F298 I299	E294-R301 IonicContact OE2-NH2 3.8Å; E294-R301 PolarHBondContact OE2-NH2 2.91Å; N297-R301 VanDerWaalsContact O-CB 3.29Å; N297-R301 WeakPolarHBondContact O-CB 3.46Å; N297-R301 VanDerWaalsContact O-CG 3.22Å; N297-R301 WeakPolarHBondContact O-CG 3.36Å; N297-R301 PolarHBondContact O-N 2.77Å; N297-R301 PolarHBondContact O-NE 3.3Å; N297-R301 VanDerWaalsContact O-NE 3.08Å; F298-R301 PolarHBondContact O-N 3.02Å; I299-R301 VanDerWaalsContact C-N 3.34Å; I299-R301 PolarHBondContact O-N 2.79Å
302	N	98.2	Very high	98.2	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.059	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	15.9	-177.7	-64.4	-73.6	0	0	0	112.8	T155 F298 I299 K300 D304 R305 F307	T155-N302 VanDerWaalsContact CG2-OD1 3.28Å; T155-N302 WeakPolarHBondContact CG2-OD1 3.35Å; F298-N302 PolarHBondContact O-N 2.9Å; F298-N302 PolarHBondContact O-ND2 3.07Å; I299-N302 CarbonylContact O-C 3.55Å; I299-N302 PolarHBondContact O-N 3.24Å; I299-N302 VanDerWaalsContact O-N 3.12Å; K300-N302 PolarHBondContact O-N 3.13Å; N302-D304 PolarHBondContact O-N 3.18Å; N302-R305 HydrophobicContact CB-CG 4.04Å; N302-R305 PolarHBondContact O-N 3.44Å; N302-R305 VanDerWaalsContact O-N 3.12Å; N302-R305 WeakPolarHBondContact OD1-CD 3.38Å; N302-R305 PolarHBondContact OD1-NE 3.01Å; N302-F307 HydrophobicContact CB-CB 3.92Å; N302-F307 HydrophobicContact CB-CD1 3.85Å; N302-F307 HydrophobicContact CB-CG 4.11Å; N302-F307 WeakPolarHBondContact O-CD1 3.35Å
303	A	96.9	Very high	98.1	Very high	37 Å²	37	35.2 Å²	35.2	31%	0.306	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.8	-176.7	0	0	0	0	0	113.8	I299 K300 L356 L358	I299-A303 PolarHBondContact O-N 2.83Å; I299-A303 VanDerWaalsContact O-N 3.11Å; K300-A303 PolarHBondContact O-N 2.89Å; A303-L356 HydrophobicContact CB-CD1 4.34Å; A303-L358 HydrophobicContact CB-CD1 4.17Å
304	D	96	Very high	97.9	Very high	132 Å²	132	33.3 Å²	33.3	71%	0.706	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-4.8	-178.3	66	-26.9	0	0	0	114.5	N302	N302-D304 PolarHBondContact O-N 3.18Å
305	R	95.9	Very high	97.8	Very high	118 Å²	118	32.5 Å²	32.5	45%	0.445	16%	0.155	S	C	.	.	S	Bend	trans	-142.2	155.3	-173.6	72.5	-175.3	91.1	169.8	11.8	111.6	N55 T155 N302 F307	N55-R305 PolarHBondContact OD1-O 3.43Å; T155-R305 WeakPolarHBondContact OG1-CD 3.36Å; N302-R305 HydrophobicContact CB-CG 4.04Å; N302-R305 PolarHBondContact O-N 3.44Å; N302-R305 VanDerWaalsContact O-N 3.12Å; N302-R305 WeakPolarHBondContact OD1-CD 3.38Å; N302-R305 PolarHBondContact OD1-NE 3.01Å; R305-F307 PolarHBondContact O-N 3.17Å
306	P	97.9	Very high	97.5	Very high	27 Å²	27	32.6 Å²	32.6	18%	0.175	16%	0.155	C	C	.	.			trans	-64.5	129.1	176.2	26.6	-33.8	0	0	0	111.1	R53 N55 Y154 T155	R53-P306 HydrophobicContact CB-CB 4.14Å; N55-P306 WeakPolarHBondContact OD1-CA 3.31Å; Y154-P306 WeakPolarHBondContact CA-O 3.38Å; Y154-P306 HydrophobicContact CD1-CB 3.84Å; Y154-P306 HydrophobicContact CE1-CB 3.72Å; Y154-P306 HydrophobicContact CG-CB 4.36Å; T155-P306 PolarHBondContact N-O 3.37Å; T155-P306 VanDerWaalsContact N-O 3.1Å
307	F	98.8	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.2	-179.7	66.9	-99.5	0	0	0	113.4	N55 F56 V57 T155 F298 I299 N302 R305 L309 L358	N55-F307 WeakPolarHBondContact CA-O 3.24Å; N55-F307 HydrophobicContact CB-CD1 4.13Å; N55-F307 HydrophobicContact CB-CD2 4.3Å; N55-F307 HydrophobicContact CB-CE1 3.77Å; N55-F307 HydrophobicContact CB-CE2 3.94Å; N55-F307 HydrophobicContact CB-CG 4.39Å; N55-F307 HydrophobicContact CB-CZ 3.66Å; N55-F307 VanDerWaalsContact OD1-CD1 3.25Å; N55-F307 WeakPolarHBondContact OD1-CD1 3.33Å; N55-F307 WeakPolarHBondContact OD1-CE1 3.19Å; N55-F307 PolarHBondContact OD1-N 3.12Å; F56-F307 PolarHBondContact N-O 2.84Å; V57-F307 HydrophobicContact CG2-CE2 3.84Å; V57-F307 HydrophobicContact CG2-CZ 4.43Å; T155-F307 CarbonylContact O-C 3.55Å; T155-F307 WeakPolarHBondContact O-CA 3.48Å; T155-F307 WeakPolarHBondContact O-CB 3.22Å; F298-F307 HydrophobicContact CE1-CB 4.1Å; F298-F307 HydrophobicContact CE1-CD2 4.02Å; F298-F307 HydrophobicContact CE1-CG 4.31Å; F298-F307 HydrophobicContact CZ-CB 4.45Å; I299-F307 HydrophobicContact CB-CZ 4.43Å; I299-F307 HydrophobicContact CG1-CE2 4.14Å; I299-F307 HydrophobicContact CG1-CZ 4.23Å; I299-F307 HydrophobicContact CG2-CE1 4.42Å; I299-F307 HydrophobicContact CG2-CZ 3.92Å; N302-F307 HydrophobicContact CB-CB 3.92Å; N302-F307 HydrophobicContact CB-CD1 3.85Å; N302-F307 HydrophobicContact CB-CG 4.11Å; N302-F307 WeakPolarHBondContact O-CD1 3.35Å; R305-F307 PolarHBondContact O-N 3.17Å; F307-L309 HydrophobicContact CD2-CB 4.46Å; F307-L358 HydrophobicContact CE1-CD1 4.1Å; F307-L358 HydrophobicContact CZ-CD1 4.44Å
308	L	98.9	Very high	96.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.4	166.5	167.4	72.1	0	0	0	108	F56 L58 F145 A146 L149 T155 T156 G157 F183 F298	F56-L308 HydrophobicContact CB-CB 4.46Å; F56-L308 HydrophobicContact CB-CD1 3.62Å; F56-L308 HydrophobicContact CG-CD1 4.47Å; F56-L308 CarbonylContact O-C 3.58Å; F56-L308 WeakPolarHBondContact O-CA 3.31Å; L58-L308 HydrophobicContact CD1-CD1 3.57Å; L58-L308 HydrophobicContact CG-CD1 3.98Å; F145-L308 HydrophobicContact CD2-CD2 4.06Å; F145-L308 HydrophobicContact CE2-CD1 4.25Å; F145-L308 HydrophobicContact CE2-CD2 4Å; A146-L308 HydrophobicContact CB-CD2 3.8Å; L149-L308 HydrophobicContact CD1-CB 4.12Å; L149-L308 HydrophobicContact CD1-CD1 3.93Å; L149-L308 HydrophobicContact CD1-CD2 3.74Å; L149-L308 HydrophobicContact CD1-CG 4.13Å; T155-L308 PolarHBondContact O-N 3.01Å; T156-L308 CarbonylContact C-O 3.42Å; T156-L308 WeakPolarHBondContact CA-O 3.48Å; T156-L308 HydrophobicContact CG2-CB 4.03Å; T156-L308 HydrophobicContact CG2-CD2 3.82Å; G157-L308 PolarHBondContact N-O 3.22Å; F183-L308 HydrophobicContact CE1-CD2 4.03Å; F298-L308 WeakPolarHBondContact CE1-O 3.17Å; F298-L308 WeakPolarHBondContact CZ-O 2.97Å
309	L	98.9	Very high	96.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.7	163.5	174.4	63.8	0	0	0	108.3	F56 V57 L58 V159 A295 F298 I299 F307 F311	F56-L309 PolarHBondContact O-N 2.71Å; V57-L309 WeakPolarHBondContact CA-O 3.49Å; V57-L309 HydrophobicContact CG1-CD2 4.44Å; L58-L309 PolarHBondContact N-O 2.91Å; V159-L309 HydrophobicContact CB-CD1 4.37Å; V159-L309 HydrophobicContact CG2-CD1 3.89Å; A295-L309 HydrophobicContact CB-CD2 4.04Å; F298-L309 HydrophobicContact CD1-CB 3.98Å; F298-L309 HydrophobicContact CD1-CD1 3.96Å; F298-L309 HydrophobicContact CD1-CG 4.43Å; F298-L309 HydrophobicContact CE1-CB 4.01Å; F298-L309 HydrophobicContact CG-CD1 4.4Å; I299-L309 HydrophobicContact CD1-CD2 3.77Å; I299-L309 HydrophobicContact CG1-CD2 3.84Å; F307-L309 HydrophobicContact CD2-CB 4.46Å; L309-F311 HydrophobicContact CD2-CB 4.37Å; L309-F311 HydrophobicContact CG-CB 4.23Å
310	F	98.9	Very high	96.2	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.018	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	100.9	162.1	-178.8	-132.6	0	0	0	109.1	L58 M60 L109 M110 G157 L158 V159 F183 S312	L58-F310 HydrophobicContact CB-CD2 3.78Å; L58-F310 CarbonylContact O-C 3.59Å; L58-F310 WeakPolarHBondContact O-CA 3.23Å; M60-F310 HydrophobicContact CB-CE2 3.77Å; M60-F310 HydrophobicContact CB-CZ 4.11Å; M60-F310 HydrophobicContact SD-CE2 4.31Å; M60-F310 HydrophobicContact SD-CZ 3.87Å; L109-F310 HydrophobicContact CD2-CE2 4.04Å; L109-F310 HydrophobicContact CD2-CZ 3.87Å; M110-F310 HydrophobicContact CE-CD1 3.22Å; M110-F310 HydrophobicContact CE-CE1 3.01Å; M110-F310 HydrophobicContact CE-CE2 4.45Å; M110-F310 HydrophobicContact CE-CG 4.06Å; M110-F310 HydrophobicContact CE-CZ 3.69Å; G157-F310 PolarHBondContact O-N 2.94Å; L158-F310 WeakPolarHBondContact CA-O 3.4Å; L158-F310 HydrophobicContact CD1-CD1 3.65Å; L158-F310 HydrophobicContact CD1-CE1 4.17Å; L158-F310 HydrophobicContact CG-CD1 3.84Å; V159-F310 PolarHBondContact N-O 2.63Å; F183-F310 HydrophobicContact CE1-CB 3.85Å; F183-F310 HydrophobicContact CZ-CB 4.15Å; F183-F310 HydrophobicContact CZ-CD1 4.17Å; F310-S312 PolarHBondContact O-N 2.95Å
311	F	98.8	Very high	95.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	93.4	177.6	-169.3	-160.7	0	0	0	109.7	L58 M59 M60 V159 L291 A295 L309 L313 I345 I349	L58-F311 PolarHBondContact O-N 2.63Å; M59-F311 WeakPolarHBondContact CA-O 3.17Å; M59-F311 HydrophobicContact CG-CB 4.38Å; M60-F311 PolarHBondContact N-O 2.69Å; V159-F311 HydrophobicContact CB-CD2 3.97Å; V159-F311 HydrophobicContact CB-CE2 4.41Å; V159-F311 HydrophobicContact CG1-CD2 4Å; V159-F311 HydrophobicContact CG1-CE2 3.92Å; L291-F311 HydrophobicContact CB-CE2 4.04Å; L291-F311 HydrophobicContact CB-CZ 4.42Å; A295-F311 HydrophobicContact CB-CD1 4.2Å; A295-F311 HydrophobicContact CB-CD2 4.22Å; A295-F311 HydrophobicContact CB-CE1 4.13Å; A295-F311 HydrophobicContact CB-CE2 4.18Å; A295-F311 HydrophobicContact CB-CG 4.23Å; A295-F311 HydrophobicContact CB-CZ 4.12Å; L309-F311 HydrophobicContact CD2-CB 4.37Å; L309-F311 HydrophobicContact CG-CB 4.23Å; F311-L313 HydrophobicContact CD2-CD2 4.35Å; F311-L313 HydrophobicContact CE1-CD2 3.96Å; F311-L313 HydrophobicContact CE1-CG 4.41Å; F311-L313 HydrophobicContact CE2-CD2 3.62Å; F311-L313 HydrophobicContact CE2-CG 4.26Å; F311-L313 HydrophobicContact CZ-CD2 3.41Å; F311-L313 VanDerWaalsContact CZ-CD2 3.41Å; F311-L313 HydrophobicContact CZ-CG 4.22Å; F311-I345 HydrophobicContact CE1-CG2 3.46Å; F311-I345 VanDerWaalsContact CE1-CG2 3.46Å; F311-I345 HydrophobicContact CZ-CG2 3.84Å; F311-I349 HydrophobicContact CD1-CD1 4.14Å; F311-I349 HydrophobicContact CD1-CG1 3.92Å; F311-I349 HydrophobicContact CE1-CD1 4Å; F311-I349 HydrophobicContact CE1-CG1 3.82Å
312	S	98.4	Very high	95.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	95.9	-179.7	173.6	0	0	0	0	109.8	M60 R106 V159 G160 K161 F310	M60-S312 CarbonylContact O-C 3.53Å; R106-S312 PolarHBondContact NH1-OG 3.42Å; V159-S312 PolarHBondContact O-N 2.98Å; G160-S312 CarbonylContact C-O 3.04Å; G160-S312 WeakPolarHBondContact CA-O 3.25Å; K161-S312 PolarHBondContact N-O 2.97Å; K161-S312 VanDerWaalsContact O-CB 3.25Å; K161-S312 WeakPolarHBondContact O-CB 2.97Å; K161-S312 PolarHBondContact O-OG 3.46Å; F310-S312 PolarHBondContact O-N 2.95Å
313	L	96.7	Very high	95.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.			trans	-63.4	151.6	-178.9	-70.4	163.9	0	0	0	112	M60 V61 F311 H315 V342 I345 I346	M60-L313 PolarHBondContact O-N 3.09Å; V61-L313 HydrophobicContact CG2-CD1 4.26Å; F311-L313 HydrophobicContact CD2-CD2 4.35Å; F311-L313 HydrophobicContact CE1-CD2 3.96Å; F311-L313 HydrophobicContact CE1-CG 4.41Å; F311-L313 HydrophobicContact CE2-CD2 3.62Å; F311-L313 HydrophobicContact CE2-CG 4.26Å; F311-L313 HydrophobicContact CZ-CD2 3.41Å; F311-L313 VanDerWaalsContact CZ-CD2 3.41Å; F311-L313 HydrophobicContact CZ-CG 4.22Å; L313-H315 HydrophobicContact CB-CB 4.42Å; L313-V342 HydrophobicContact CD1-CG1 4.1Å; L313-V342 HydrophobicContact CD1-CG2 4.4Å; L313-I345 HydrophobicContact CD1-CG2 4.38Å; L313-I345 HydrophobicContact CD2-CD1 4.29Å; L313-I345 HydrophobicContact CD2-CG2 4.14Å; L313-I346 HydrophobicContact CD1-CD1 4.41Å
314	A	93.4	Very high	95	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.			trans	-82.6	-26.6	168.9	0	0	0	0	0	111.2	L189 H317 F321	L189-A314 HydrophobicContact CD2-CB 4.09Å; A314-H317 PolarHBondContact O-N 3.3Å; A314-F321 HydrophobicContact CB-CE2 4.18Å; A314-F321 HydrophobicContact CB-CZ 3.9Å
315	H	94.8	Very high	94.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	149.4	166.2	-58.8	75.9	0	0	0	110.2	V61 D62 L313 F321 N338 E341 V342	V61-H315 WeakPolarHBondContact CG1-O 3.38Å; D62-H315 VanDerWaalsContact CB-O 3.3Å; D62-H315 WeakPolarHBondContact CB-O 3.42Å; D62-H315 PolarHBondContact N-O 2.99Å; D62-H315 CarbonylContact O-C 3.43Å; L313-H315 HydrophobicContact CB-CB 4.42Å; H315-F321 AromaticContact CD2-CD2 3.51Å; H315-F321 AromaticContact CD2-CE2 3.95Å; H315-F321 AromaticContact CE1-CD2 3.52Å; H315-F321 AromaticContact CE1-CE2 3.59Å; H315-F321 AromaticContact CG-CD2 3.86Å; H315-F321 AromaticContact CG-CE2 3.81Å; H315-F321 AromaticContact ND1-CD2 3.9Å; H315-F321 AromaticContact ND1-CE2 3.6Å; H315-F321 AromaticContact NE2-CD2 3.27Å; H315-F321 VanDerWaalsContact NE2-CD2 3.27Å; H315-F321 WeakPolarHBondContact NE2-CD2 3.3Å; H315-F321 AromaticContact NE2-CE2 3.81Å; H315-F321 AromaticContact NE2-CG 4Å; H315-N338 PolarHBondContact CD2-OD1 3.39Å; H315-E341 IonicContact CD2-OE2 2.71Å; H315-E341 IonicContact CE1-OE2 2.8Å; H315-E341 IonicContact NE2-OE2 3.7Å; H315-E341 PolarHBondContact NE2-OE2 3.34Å; H315-V342 HydrophobicContact CB-CG2 3.21Å
316	V	94.2	Very high	94.9	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.012	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	cis	-103.2	24.7	-4.9	-70.4	0	0	0	0	111	V61 D62 L64 L320 Y335 N338 L339 V342	V61-V316 HydrophobicContact CG1-CG1 4.32Å; V61-V316 HydrophobicContact CG1-CG2 4.28Å; D62-V316 WeakPolarHBondContact O-CG2 3.38Å; D62-V316 PolarHBondContact O-N 3.34Å; L64-V316 HydrophobicContact CB-CG2 4.33Å; V316-L320 WeakPolarHBondContact O-CD2 3.31Å; V316-Y335 HydrophobicContact CB-CD2 4.3Å; V316-Y335 HydrophobicContact CB-CE2 3.69Å; V316-Y335 HydrophobicContact CG1-CE2 4.45Å; V316-Y335 HydrophobicContact CG2-CD2 4.49Å; V316-Y335 HydrophobicContact CG2-CE2 3.46Å; V316-Y335 VanDerWaalsContact CG2-CE2 3.46Å; V316-Y335 WeakPolarHBondContact CG2-OH 3.5Å; V316-N338 HydrophobicContact CG1-CB 4.17Å; V316-L339 HydrophobicContact CG1-CB 4.36Å; V316-L339 HydrophobicContact CG1-CD1 4.49Å; V316-V342 HydrophobicContact CG1-CG2 4.11Å
317	H	93.8	Very high	94.7	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.019	12%	0.117	C	C	.	.	S	Bend	trans	-65.6	144.3	178.5	-166.7	-70.6	0	0	0	111.2	D62 D63 L193 F194 A314 K395	D62-H317 HydrophobicContact CB-CB 3.88Å; D62-H317 WeakPolarHBondContact OD2-CB 3.31Å; D62-H317 IonicContact OD2-CD2 3.31Å; D62-H317 IonicContact OD2-CG 2.77Å; D63-H317 VanDerWaalsContact CG-CD2 3.49Å; D63-H317 IonicContact OD1-CD2 3.72Å; D63-H317 PolarHBondContact OD1-CD2 3.36Å; D63-H317 IonicContact OD2-CD2 3.25Å; D63-H317 PolarHBondContact OD2-CD2 3.48Å; D63-H317 VanDerWaalsContact OD2-CD2 3.22Å; D63-H317 IonicContact OD2-CG 3Å; D63-H317 IonicContact OD2-NE2 3.46Å; L193-H317 PolarHBondContact O-CE1 3.24Å; L193-H317 PolarHBondContact O-ND1 2.93Å; F194-H317 AromaticContact CD1-CE1 3.98Å; A314-H317 PolarHBondContact O-N 3.3Å; H317-K395 PolarHBondContact CD2-NZ 2.94Å; H317-K395 PolarHBondContact NE2-NZ 3.11Å
318	T	89.6	Confident	94.4	Very high	6 Å²	6	21.3 Å²	21.3	4%	0.037	15%	0.153	C	C	.	.	S	Bend	trans	-70	148.1	178.5	42.5	0	0	0	0	112.4	L193 L320 D376 K384	L193-T318 CarbonylContact C-O 3.56Å; T318-L320 HydrophobicContact CG2-CG 4.2Å; T318-D376 WeakPolarHBondContact CB-OD2 3.22Å; T318-D376 WeakPolarHBondContact CG2-OD2 3.02Å; T318-D376 PolarHBondContact OG1-OD2 2.95Å; T318-K384 HydrophobicContact CG2-CB 4.14Å
319	P	91.1	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.178	C	C	.	.	S	Bend	cis	-74.1	141.7	-2.1	28.2	-38.1	0	0	0	112.4	L193 F194 V198 E201	L193-P319 HydrophobicContact CD2-CG 4.17Å; L193-P319 WeakPolarHBondContact CD2-O 3.46Å; L193-P319 HydrophobicContact CG-CG 4.18Å; F194-P319 WeakPolarHBondContact O-CD 3.49Å; V198-P319 HydrophobicContact CB-CB 4.31Å; V198-P319 HydrophobicContact CB-CG 4.04Å; V198-P319 HydrophobicContact CG2-CB 4.14Å; V198-P319 HydrophobicContact CG2-CG 3.59Å; E201-P319 HydrophobicContact CB-CB 4.13Å; E201-P319 HydrophobicContact CG-CB 3.79Å
320	L	91.7	Very high	93.9	Very high	9 Å²	9	27.7 Å²	27.7	5%	0.047	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-70.5	142.8	-178.6	-63.7	168	0	0	0	111.4	V316 T318 R334 Y335 N338 K384	V316-L320 WeakPolarHBondContact O-CD2 3.31Å; T318-L320 HydrophobicContact CG2-CG 4.2Å; L320-R334 HydrophobicContact CB-CB 4.24Å; L320-R334 HydrophobicContact CD1-CB 3.74Å; L320-R334 PolarHBondContact O-NH2 2.7Å; L320-Y335 HydrophobicContact CD2-CD2 4.2Å; L320-N338 HydrophobicContact CD2-CB 4.15Å; L320-K384 HydrophobicContact CD1-CB 4.39Å
321	F	91.8	Very high	93.6	Very high	7 Å²	7	34.2 Å²	34.2	3%	0.031	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-68.6	152.4	176.8	-60.7	-81.6	0	0	0	111.5	L193 V284 L287 P288 A314 H315 N338	L193-F321 HydrophobicContact CD2-CE1 4.46Å; L193-F321 HydrophobicContact CD2-CE2 4.29Å; L193-F321 HydrophobicContact CD2-CZ 3.92Å; V284-F321 HydrophobicContact CG1-CD1 3.58Å; V284-F321 HydrophobicContact CG1-CE1 3.42Å; V284-F321 VanDerWaalsContact CG1-CE1 3.42Å; V284-F321 HydrophobicContact CG1-CZ 4.46Å; V284-F321 VanDerWaalsContact O-CD1 3.29Å; V284-F321 WeakPolarHBondContact O-CD1 3.44Å; V284-F321 WeakPolarHBondContact O-CE1 3.42Å; L287-F321 HydrophobicContact CB-CE1 4.09Å; L287-F321 HydrophobicContact CD2-CE1 4.17Å; L287-F321 HydrophobicContact CD2-CZ 4.19Å; P288-F321 HydrophobicContact CG-CB 4.2Å; P288-F321 HydrophobicContact CG-CD1 3.57Å; P288-F321 HydrophobicContact CG-CD2 4.08Å; P288-F321 HydrophobicContact CG-CE1 3.91Å; P288-F321 HydrophobicContact CG-CE2 4.4Å; P288-F321 HydrophobicContact CG-CG 3.68Å; P288-F321 HydrophobicContact CG-CZ 4.33Å; A314-F321 HydrophobicContact CB-CE2 4.18Å; A314-F321 HydrophobicContact CB-CZ 3.9Å; H315-F321 AromaticContact CD2-CD2 3.51Å; H315-F321 AromaticContact CD2-CE2 3.95Å; H315-F321 AromaticContact CE1-CD2 3.52Å; H315-F321 AromaticContact CE1-CE2 3.59Å; H315-F321 AromaticContact CG-CD2 3.86Å; H315-F321 AromaticContact CG-CE2 3.81Å; H315-F321 AromaticContact ND1-CD2 3.9Å; H315-F321 AromaticContact ND1-CE2 3.6Å; H315-F321 AromaticContact NE2-CD2 3.27Å; H315-F321 VanDerWaalsContact NE2-CD2 3.27Å; H315-F321 WeakPolarHBondContact NE2-CD2 3.3Å; H315-F321 AromaticContact NE2-CE2 3.81Å; H315-F321 AromaticContact NE2-CG 4Å; F321-N338 WeakPolarHBondContact CB-OD1 3.49Å; F321-N338 VanDerWaalsContact CD2-OD1 3.26Å; F321-N338 WeakPolarHBondContact CD2-OD1 3.07Å; F321-N338 PolarHBondContact N-ND2 2.99Å; F321-N338 PolarHBondContact N-OD1 2.74Å; F321-N338 PolarHBondContact O-ND2 3.06Å
322	T	90.3	Very high	93.2	Very high	86 Å²	86	37.8 Å²	37.8	53%	0.528	23%	0.233	S	C	.	.			trans	-120	69.2	173.8	-52.8	0	0	0	0	109.1	A327 R334	T322-A327 HydrophobicContact CG2-CB 4.13Å; T322-R334 PolarHBondContact OG1-NH2 3.48Å
323	T	91.3	Very high	92.9	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.055	25%	0.252	C	S	.	.			trans	-78.2	126.3	177.7	-60.9	0	0	0	0	110.1	A325 F326 A327 E341	T323-A325 HydrophobicContact CG2-CB 4.2Å; T323-A325 PolarHBondContact O-N 3.24Å; T323-F326 HydrophobicContact CG2-CD2 4.08Å; T323-F326 PolarHBondContact O-N 2.02Å; T323-A327 WeakPolarHBondContact O-CB 3.49Å; T323-A327 PolarHBondContact O-N 3.4Å; T323-E341 VanDerWaalsContact CB-OE1 3.28Å; T323-E341 WeakPolarHBondContact CB-OE1 3.37Å; T323-E341 VanDerWaalsContact CG2-OE1 3.29Å; T323-E341 WeakPolarHBondContact CG2-OE1 3.11Å; T323-E341 PolarHBondContact OG1-OE1 2.69Å; T323-E341 PolarHBondContact OG1-OE2 2.74Å
324	P	93.3	Very high	92.6	Very high	123 Å²	123	42.4 Å²	42.4	80%	0.799	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.4	-177.8	-28.6	35.3	0	0	0	115.1	F326	P324-F326 VanDerWaalsContact C-N 3.27Å; P324-F326 PolarHBondContact O-N 3.29Å
325	A	94	Very high	92.7	Very high	53 Å²	53	42.7 Å²	42.7	44%	0.438	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-17.5	178.6	0	0	0	0	0	113.8	T323 K329	T323-A325 HydrophobicContact CG2-CB 4.2Å; T323-A325 PolarHBondContact O-N 3.24Å; A325-K329 WeakPolarHBondContact O-CD 3.39Å; A325-K329 WeakPolarHBondContact O-CE 3.37Å; A325-K329 PolarHBondContact O-NZ 2.88Å
326	F	95.7	Very high	92.7	Very high	29 Å²	29	42.7 Å²	42.7	13%	0.127	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-24.9	-175.6	-65.5	-85.3	0	0	0	113.2	T323 P324 G328 K329 D337 E340 E341 W344	T323-F326 HydrophobicContact CG2-CD2 4.08Å; T323-F326 PolarHBondContact O-N 2.02Å; P324-F326 VanDerWaalsContact C-N 3.27Å; P324-F326 PolarHBondContact O-N 3.29Å; F326-G328 PolarHBondContact O-N 3.29Å; F326-K329 VanDerWaalsContact O-CB 3.32Å; F326-K329 WeakPolarHBondContact O-CB 3.31Å; F326-K329 WeakPolarHBondContact O-CG 3.43Å; F326-K329 PolarHBondContact O-N 3.03Å; F326-D337 HydrophobicContact CB-CB 4.32Å; F326-D337 WeakPolarHBondContact O-CB 3.35Å; F326-E340 HydrophobicContact CD1-CB 4.06Å; F326-E340 HydrophobicContact CE1-CB 4.41Å; F326-E340 WeakPolarHBondContact CE1-O 3.43Å; F326-E341 HydrophobicContact CB-CB 4.42Å; F326-E341 HydrophobicContact CD1-CB 4.06Å; F326-E341 HydrophobicContact CD2-CB 3.65Å; F326-E341 HydrophobicContact CD2-CG 3.74Å; F326-E341 HydrophobicContact CE1-CB 4.24Å; F326-E341 HydrophobicContact CE2-CB 3.85Å; F326-E341 HydrophobicContact CE2-CG 3.68Å; F326-E341 HydrophobicContact CG-CB 3.77Å; F326-E341 HydrophobicContact CG-CG 4.38Å; F326-E341 HydrophobicContact CZ-CB 4.15Å; F326-E341 HydrophobicContact CZ-CG 4.28Å; F326-W344 HydrophobicContact CE1-CB 4.13Å; F326-W344 HydrophobicContact CE2-CE3 4.36Å; F326-W344 HydrophobicContact CZ-CB 3.64Å; F326-W344 HydrophobicContact CZ-CD2 4.08Å; F326-W344 HydrophobicContact CZ-CE3 4.29Å; F326-W344 AromaticContact CZ-CG 3.79Å; F326-W344 HydrophobicContact CZ-CG 3.79Å
327	A	94.2	Very high	92.8	Very high	42 Å²	42	43 Å²	43	35%	0.347	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	125.8	-176.2	0	0	0	0	0	113.3	T322 T323 D337	T322-A327 HydrophobicContact CG2-CB 4.13Å; T323-A327 WeakPolarHBondContact O-CB 3.49Å; T323-A327 PolarHBondContact O-N 3.4Å; A327-D337 WeakPolarHBondContact CA-OD2 3.34Å
328	G	93.1	Very high	92.9	Very high	73 Å²	73	42.9 Å²	42.9	75%	0.753	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	20.2	176.7	0	0	0	0	0	114.9	F326 D337	F326-G328 PolarHBondContact O-N 3.29Å; G328-D337 PolarHBondContact N-OD2 3.2Å
329	K	93.6	Very high	93.2	Very high	121 Å²	121	42.6 Å²	42.6	53%	0.526	26%	0.263	S	S	.	.			trans	-100.9	-27.8	-176.5	-67.8	-169.8	177.4	-179.6	0	114	R78 A325 F326 D337	R78-K329 PolarHBondContact NH2-O 2.98Å; A325-K329 WeakPolarHBondContact O-CD 3.39Å; A325-K329 WeakPolarHBondContact O-CE 3.37Å; A325-K329 PolarHBondContact O-NZ 2.88Å; F326-K329 VanDerWaalsContact O-CB 3.32Å; F326-K329 WeakPolarHBondContact O-CB 3.31Å; F326-K329 WeakPolarHBondContact O-CG 3.43Å; F326-K329 PolarHBondContact O-N 3.03Å; K329-D337 PolarHBondContact N-OD1 3.03Å
330	S	94	Very high	93.5	Very high	14 Å²	14	43.3 Å²	43.3	10%	0.098	27%	0.266	C	S	.	.	S	Bend	trans	-86.9	149.7	-177.7	-162	0	0	0	0	111.7	H332 G336 D337 E340	S330-H332 PolarHBondContact O-N 3.36Å; S330-G336 VanDerWaalsContact OG-CA 3.29Å; S330-G336 WeakPolarHBondContact OG-CA 3.36Å; S330-D337 VanDerWaalsContact CB-N 3.29Å; S330-D337 VanDerWaalsContact CB-OD1 3.29Å; S330-D337 WeakPolarHBondContact CB-OD1 3.31Å; S330-D337 PolarHBondContact N-OD1 3.33Å; S330-E340 WeakPolarHBondContact CA-OE1 3.2Å; S330-E340 WeakPolarHBondContact CB-OE1 3.46Å; S330-E340 PolarHBondContact OG-OE1 3.05Å
331	L	91.6	Very high	93.9	Very high	141 Å²	141	43 Å²	43	74%	0.738	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-21	173.7	-63.3	178.4	0	0	0	112.1	T76 G333	T76-L331 HydrophobicContact CG2-CD1 4.41Å; L331-G333 VanDerWaalsContact C-N 3.3Å; L331-G333 PolarHBondContact O-N 3.42Å
332	H	90.8	Very high	94.2	Very high	74 Å²	74	42.7 Å²	42.7	34%	0.343	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	31.1	-176.7	-72.7	-143.8	0	0	0	111.8	T76 I77 S330 Y335 G336	T76-H332 PolarHBondContact OG1-CE1 3.33Å; T76-H332 PolarHBondContact OG1-NE2 3.12Å; I77-H332 HydrophobicContact CD1-CB 4.16Å; I77-H332 HydrophobicContact CG1-CB 4.2Å; S330-H332 PolarHBondContact O-N 3.36Å; H332-Y335 PolarHBondContact O-N 2.79Å; H332-G336 PolarHBondContact O-N 2.93Å; H332-G336 VanDerWaalsContact O-N 3.14Å
333	G	91.5	Very high	94.6	Very high	38 Å²	38	38.8 Å²	38.8	39%	0.392	24%	0.239	S	C	.	.	H	α-helix	trans	55.9	-146.8	179.1	0	0	0	0	0	112.9	L331 Y335 G336 D337	L331-G333 VanDerWaalsContact C-N 3.3Å; L331-G333 PolarHBondContact O-N 3.42Å; G333-Y335 PolarHBondContact O-N 2.75Å; G333-G336 PolarHBondContact O-N 3.11Å; G333-D337 VanDerWaalsContact O-CG 3.3Å; G333-D337 PolarHBondContact O-N 3.46Å
334	R	91.6	Very high	94.9	Very high	59 Å²	59	43 Å²	43	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-31.9	-177.7	-74.9	177.4	68.2	-169.4	0.6	113	E201 L320 T322 D337 N338	E201-R334 IonicContact OE1-CZ 3.8Å; E201-R334 VanDerWaalsContact OE1-CZ 3.31Å; E201-R334 IonicContact OE1-NH1 2.69Å; E201-R334 PolarHBondContact OE1-NH1 3.15Å; E201-R334 IonicContact OE1-NH2 3.85Å; E201-R334 PolarHBondContact OE1-NH2 2.84Å; E201-R334 IonicContact OE2-NH1 2.95Å; L320-R334 HydrophobicContact CB-CB 4.24Å; L320-R334 HydrophobicContact CD1-CB 3.74Å; L320-R334 PolarHBondContact O-NH2 2.7Å; T322-R334 PolarHBondContact OG1-NH2 3.48Å; R334-D337 PolarHBondContact O-N 2.91Å; R334-N338 PolarHBondContact O-N 3.14Å; R334-N338 PolarHBondContact O-ND2 2.65Å
335	Y	94.1	Very high	95.2	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.027	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-50	178.6	178.8	-97.3	0	0	0	110.1	D68 I77 V316 L320 H332 G333 D337 N338 L339 K384 G386	D68-Y335 HydrophobicContact CB-CE1 4.47Å; D68-Y335 VanDerWaalsContact CG-OH 3.28Å; D68-Y335 PolarHBondContact OD2-OH 2.79Å; I77-Y335 HydrophobicContact CD1-CE1 4.49Å; V316-Y335 HydrophobicContact CB-CD2 4.3Å; V316-Y335 HydrophobicContact CB-CE2 3.69Å; V316-Y335 HydrophobicContact CG1-CE2 4.45Å; V316-Y335 HydrophobicContact CG2-CD2 4.49Å; V316-Y335 HydrophobicContact CG2-CE2 3.46Å; V316-Y335 VanDerWaalsContact CG2-CE2 3.46Å; V316-Y335 WeakPolarHBondContact CG2-OH 3.5Å; L320-Y335 HydrophobicContact CD2-CD2 4.2Å; H332-Y335 PolarHBondContact O-N 2.79Å; G333-Y335 PolarHBondContact O-N 2.75Å; Y335-D337 VanDerWaalsContact C-N 3.34Å; Y335-D337 PolarHBondContact O-N 3Å; Y335-N338 WeakPolarHBondContact O-CB 3.31Å; Y335-N338 PolarHBondContact O-N 2.81Å; Y335-L339 HydrophobicContact CE1-CD2 4.38Å; Y335-L339 PolarHBondContact O-N 3.37Å; Y335-K384 WeakPolarHBondContact CD2-O 3.47Å; Y335-G386 WeakPolarHBondContact OH-CA 3.37Å
336	G	95.2	Very high	95.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-40.7	175	0	0	0	0	0	113	S330 H332 G333 N338 L339 E340	S330-G336 VanDerWaalsContact OG-CA 3.29Å; S330-G336 WeakPolarHBondContact OG-CA 3.36Å; H332-G336 PolarHBondContact O-N 2.93Å; H332-G336 VanDerWaalsContact O-N 3.14Å; G333-G336 PolarHBondContact O-N 3.11Å; G336-N338 VanDerWaalsContact C-N 3.27Å; G336-N338 PolarHBondContact O-N 3.19Å; G336-L339 PolarHBondContact O-N 2.92Å; G336-E340 WeakPolarHBondContact O-CG 3.45Å; G336-E340 PolarHBondContact O-N 2.69Å
337	D	95.4	Very high	95.6	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-41.3	176	-65	-26.2	0	0	0	111.6	F326 A327 G328 K329 S330 G333 R334 Y335 E341	F326-D337 HydrophobicContact CB-CB 4.32Å; F326-D337 WeakPolarHBondContact O-CB 3.35Å; A327-D337 WeakPolarHBondContact CA-OD2 3.34Å; G328-D337 PolarHBondContact N-OD2 3.2Å; K329-D337 PolarHBondContact N-OD1 3.03Å; S330-D337 VanDerWaalsContact CB-N 3.29Å; S330-D337 VanDerWaalsContact CB-OD1 3.29Å; S330-D337 WeakPolarHBondContact CB-OD1 3.31Å; S330-D337 PolarHBondContact N-OD1 3.33Å; G333-D337 VanDerWaalsContact O-CG 3.3Å; G333-D337 PolarHBondContact O-N 3.46Å; R334-D337 PolarHBondContact O-N 2.91Å; Y335-D337 VanDerWaalsContact C-N 3.34Å; Y335-D337 PolarHBondContact O-N 3Å; D337-E341 PolarHBondContact O-N 2.71Å
338	N	95.9	Very high	95.8	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-68.3	-39.1	178	-85.4	-110.2	0	0	0	111.4	H315 V316 L320 F321 R334 Y335 G336 E341 V342	H315-N338 PolarHBondContact CD2-OD1 3.39Å; V316-N338 HydrophobicContact CG1-CB 4.17Å; L320-N338 HydrophobicContact CD2-CB 4.15Å; F321-N338 WeakPolarHBondContact CB-OD1 3.49Å; F321-N338 VanDerWaalsContact CD2-OD1 3.26Å; F321-N338 WeakPolarHBondContact CD2-OD1 3.07Å; F321-N338 PolarHBondContact N-ND2 2.99Å; F321-N338 PolarHBondContact N-OD1 2.74Å; F321-N338 PolarHBondContact O-ND2 3.06Å; R334-N338 PolarHBondContact O-N 3.14Å; R334-N338 PolarHBondContact O-ND2 2.65Å; Y335-N338 WeakPolarHBondContact O-CB 3.31Å; Y335-N338 PolarHBondContact O-N 2.81Å; G336-N338 VanDerWaalsContact C-N 3.27Å; G336-N338 PolarHBondContact O-N 3.19Å; N338-E341 WeakPolarHBondContact O-CB 3.32Å; N338-E341 PolarHBondContact O-N 2.76Å; N338-V342 WeakPolarHBondContact O-CG2 3.44Å; N338-V342 PolarHBondContact O-N 2.72Å
339	L	97.3	Very high	96.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-70.6	-37.4	177.4	-174.2	51.9	0	0	0	112.6	L64 D68 I69 I77 T79 V316 Y335 G336 E341 V342 D343	L64-L339 HydrophobicContact CD1-CD1 3.59Å; L64-L339 HydrophobicContact CD1-CD2 3.88Å; L64-L339 HydrophobicContact CD1-CG 4.44Å; D68-L339 HydrophobicContact CB-CD2 3.51Å; D68-L339 WeakPolarHBondContact O-CD2 3.46Å; I69-L339 HydrophobicContact CG2-CD1 4.28Å; I69-L339 HydrophobicContact CG2-CD2 4.31Å; I77-L339 HydrophobicContact CD1-CD2 3.89Å; I77-L339 HydrophobicContact CG2-CB 4.13Å; I77-L339 HydrophobicContact CG2-CD2 3.9Å; I77-L339 HydrophobicContact CG2-CG 3.96Å; T79-L339 HydrophobicContact CG2-CG 4.19Å; V316-L339 HydrophobicContact CG1-CB 4.36Å; V316-L339 HydrophobicContact CG1-CD1 4.49Å; Y335-L339 HydrophobicContact CE1-CD2 4.38Å; Y335-L339 PolarHBondContact O-N 3.37Å; G336-L339 PolarHBondContact O-N 2.92Å; L339-E341 VanDerWaalsContact C-N 3.28Å; L339-E341 PolarHBondContact O-N 2.84Å; L339-V342 HydrophobicContact CD1-CB 4.24Å; L339-V342 HydrophobicContact CD1-CG1 4.41Å; L339-V342 WeakPolarHBondContact O-CB 3.47Å; L339-V342 PolarHBondContact O-N 3.43Å; L339-D343 PolarHBondContact O-N 2.94Å
340	E	98.1	Very high	96.3	Very high	15 Å²	15	25 Å²	25	7%	0.07	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-33.8	171	-69.3	-175.8	-151.9	0	0	111.4	I77 R78 F326 S330 G336 W344	I77-E340 HydrophobicContact CG2-CG 4.08Å; R78-E340 HydrophobicContact CB-CG 4.14Å; R78-E340 IonicContact CZ-OE2 3.42Å; R78-E340 VanDerWaalsContact CZ-OE2 3.31Å; R78-E340 IonicContact NE-OE1 3.37Å; R78-E340 IonicContact NE-OE2 3.88Å; R78-E340 PolarHBondContact NE-OE2 3.04Å; R78-E340 IonicContact NH2-OE1 3.31Å; R78-E340 IonicContact NH2-OE2 3.95Å; R78-E340 PolarHBondContact NH2-OE2 2.75Å; F326-E340 HydrophobicContact CD1-CB 4.06Å; F326-E340 HydrophobicContact CE1-CB 4.41Å; F326-E340 WeakPolarHBondContact CE1-O 3.43Å; S330-E340 WeakPolarHBondContact CA-OE1 3.2Å; S330-E340 WeakPolarHBondContact CB-OE1 3.46Å; S330-E340 PolarHBondContact OG-OE1 3.05Å; G336-E340 WeakPolarHBondContact O-CG 3.45Å; G336-E340 PolarHBondContact O-N 2.69Å; E340-W344 PolarHBondContact O-N 2.87Å; E340-W344 VanDerWaalsContact O-N 3.15Å
341	E	98.4	Very high	96.5	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.009	15%	0.145	C	C	.	.	H	α-helix	trans	-67.9	-42.6	171.1	-175.7	172.6	-135.9	0	0	112.1	Q289 H315 T323 F326 D337 N338 L339 D343 W344 I345	Q289-E341 PolarHBondContact NE2-OE1 3.03Å; Q289-E341 VanDerWaalsContact NE2-OE1 3.16Å; H315-E341 IonicContact CD2-OE2 2.71Å; H315-E341 IonicContact CE1-OE2 2.8Å; H315-E341 IonicContact NE2-OE2 3.7Å; H315-E341 PolarHBondContact NE2-OE2 3.34Å; T323-E341 VanDerWaalsContact CB-OE1 3.28Å; T323-E341 WeakPolarHBondContact CB-OE1 3.37Å; T323-E341 VanDerWaalsContact CG2-OE1 3.29Å; T323-E341 WeakPolarHBondContact CG2-OE1 3.11Å; T323-E341 PolarHBondContact OG1-OE1 2.69Å; T323-E341 PolarHBondContact OG1-OE2 2.74Å; F326-E341 HydrophobicContact CB-CB 4.42Å; F326-E341 HydrophobicContact CD1-CB 4.06Å; F326-E341 HydrophobicContact CD2-CB 3.65Å; F326-E341 HydrophobicContact CD2-CG 3.74Å; F326-E341 HydrophobicContact CE1-CB 4.24Å; F326-E341 HydrophobicContact CE2-CB 3.85Å; F326-E341 HydrophobicContact CE2-CG 3.68Å; F326-E341 HydrophobicContact CG-CB 3.77Å; F326-E341 HydrophobicContact CG-CG 4.38Å; F326-E341 HydrophobicContact CZ-CB 4.15Å; F326-E341 HydrophobicContact CZ-CG 4.28Å; D337-E341 PolarHBondContact O-N 2.71Å; N338-E341 WeakPolarHBondContact O-CB 3.32Å; N338-E341 PolarHBondContact O-N 2.76Å; L339-E341 VanDerWaalsContact C-N 3.28Å; L339-E341 PolarHBondContact O-N 2.84Å; E341-D343 VanDerWaalsContact C-N 3.34Å; E341-D343 PolarHBondContact O-N 3.33Å; E341-W344 PolarHBondContact O-N 2.83Å; E341-I345 HydrophobicContact CG-CD1 4.08Å; E341-I345 HydrophobicContact CG-CG1 4.46Å; E341-I345 VanDerWaalsContact O-CG1 3.32Å; E341-I345 WeakPolarHBondContact O-CG1 3.03Å; E341-I345 PolarHBondContact O-N 3.15Å
342	V	98.4	Very high	96.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-56.8	-49.3	173.5	168.3	0	0	0	0	110.3	V61 I82 L313 H315 V316 N338 L339 W344 I345 I346	V61-V342 HydrophobicContact CG1-CG1 4.37Å; V61-V342 HydrophobicContact CG1-CG2 4.35Å; V61-V342 HydrophobicContact CG2-CG1 3.75Å; I82-V342 HydrophobicContact CD1-CG1 4.41Å; L313-V342 HydrophobicContact CD1-CG1 4.1Å; L313-V342 HydrophobicContact CD1-CG2 4.4Å; H315-V342 HydrophobicContact CB-CG2 3.21Å; V316-V342 HydrophobicContact CG1-CG2 4.11Å; N338-V342 WeakPolarHBondContact O-CG2 3.44Å; N338-V342 PolarHBondContact O-N 2.72Å; L339-V342 HydrophobicContact CD1-CB 4.24Å; L339-V342 HydrophobicContact CD1-CG1 4.41Å; L339-V342 WeakPolarHBondContact O-CB 3.47Å; L339-V342 PolarHBondContact O-N 3.43Å; V342-W344 VanDerWaalsContact C-N 3.3Å; V342-W344 PolarHBondContact O-N 2.76Å; V342-I345 WeakPolarHBondContact O-CB 3.42Å; V342-I345 PolarHBondContact O-N 3.3Å; V342-I345 VanDerWaalsContact O-N 3.09Å; V342-I346 HydrophobicContact CG1-CG1 4.24Å; V342-I346 VanDerWaalsContact O-CG1 3.32Å; V342-I346 WeakPolarHBondContact O-CG1 3.3Å; V342-I346 PolarHBondContact O-N 3.25Å
343	D	98.8	Very high	97.2	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.027	10%	0.095	C	C	.	.	H	α-helix	trans	-54.6	-47.6	177.6	179.6	77.3	0	0	0	111.9	T79 P80 N81 I82 L339 E341 I345 I346 G347	T79-D343 VanDerWaalsContact C-CG 3.42Å; T79-D343 WeakPolarHBondContact CA-OD1 3.49Å; T79-D343 HydrophobicContact CG2-CB 4.3Å; T79-D343 VanDerWaalsContact O-OD1 3.06Å; P80-D343 WeakPolarHBondContact CD-OD2 3.43Å; N81-D343 WeakPolarHBondContact CA-OD1 3.46Å; N81-D343 WeakPolarHBondContact CB-O 3.23Å; N81-D343 WeakPolarHBondContact CB-OD1 3.28Å; N81-D343 WeakPolarHBondContact CB-OD2 2.97Å; N81-D343 PolarHBondContact N-OD1 3.47Å; N81-D343 PolarHBondContact N-OD2 2.81Å; N81-D343 PolarHBondContact ND2-O 2.81Å; N81-D343 PolarHBondContact ND2-OD2 2.86Å; I82-D343 HydrophobicContact CD1-CB 4.1Å; I82-D343 HydrophobicContact CG1-CB 4.47Å; I82-D343 WeakPolarHBondContact CG1-OD1 3.43Å; I82-D343 PolarHBondContact N-OD1 2.9Å; L339-D343 PolarHBondContact O-N 2.94Å; E341-D343 VanDerWaalsContact C-N 3.34Å; E341-D343 PolarHBondContact O-N 3.33Å; D343-I345 PolarHBondContact O-N 3.24Å; D343-I346 PolarHBondContact O-N 3.19Å; D343-G347 PolarHBondContact O-N 3.49Å
344	W	98.7	Very high	97.6	Very high	96 Å²	96	19.7 Å²	19.7	36%	0.364	9%	0.088	S	C	.	.	H	α-helix	trans	-60.9	-42.2	176.5	174.1	83.9	0	0	0	112.6	L292 F326 E340 E341 V342 G347 K348	L292-W344 HydrophobicContact CD2-CE3 4.32Å; L292-W344 HydrophobicContact CD2-CH2 3.47Å; L292-W344 VanDerWaalsContact CD2-CH2 3.47Å; L292-W344 HydrophobicContact CD2-CZ2 4.44Å; L292-W344 HydrophobicContact CD2-CZ3 3.4Å; L292-W344 VanDerWaalsContact CD2-CZ3 3.4Å; F326-W344 HydrophobicContact CE1-CB 4.13Å; F326-W344 HydrophobicContact CE2-CE3 4.36Å; F326-W344 HydrophobicContact CZ-CB 3.64Å; F326-W344 HydrophobicContact CZ-CD2 4.08Å; F326-W344 HydrophobicContact CZ-CE3 4.29Å; F326-W344 AromaticContact CZ-CG 3.79Å; F326-W344 HydrophobicContact CZ-CG 3.79Å; E340-W344 PolarHBondContact O-N 2.87Å; E340-W344 VanDerWaalsContact O-N 3.15Å; E341-W344 PolarHBondContact O-N 2.83Å; V342-W344 VanDerWaalsContact C-N 3.3Å; V342-W344 PolarHBondContact O-N 2.76Å; W344-G347 PolarHBondContact O-N 3.43Å; W344-K348 HydrophobicContact CD2-CG 4.17Å; W344-K348 HydrophobicContact CH2-CG 4.23Å; W344-K348 HydrophobicContact CZ2-CD 4.12Å; W344-K348 HydrophobicContact CZ2-CG 3.8Å; W344-K348 WeakPolarHBondContact O-CG 3.5Å; W344-K348 PolarHBondContact O-N 3.09Å
345	I	98.7	Very high	97.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.3	-46.9	175.4	-73.3	171.2	0	0	0	110.5	P288 L292 F311 L313 E341 V342 D343 G347 K348 I349	P288-I345 HydrophobicContact CB-CD1 4.46Å; L292-I345 HydrophobicContact CD1-CG2 4.22Å; L292-I345 HydrophobicContact CD2-CG1 4.42Å; F311-I345 HydrophobicContact CE1-CG2 3.46Å; F311-I345 VanDerWaalsContact CE1-CG2 3.46Å; F311-I345 HydrophobicContact CZ-CG2 3.84Å; L313-I345 HydrophobicContact CD1-CG2 4.38Å; L313-I345 HydrophobicContact CD2-CD1 4.29Å; L313-I345 HydrophobicContact CD2-CG2 4.14Å; E341-I345 HydrophobicContact CG-CD1 4.08Å; E341-I345 HydrophobicContact CG-CG1 4.46Å; E341-I345 VanDerWaalsContact O-CG1 3.32Å; E341-I345 WeakPolarHBondContact O-CG1 3.03Å; E341-I345 PolarHBondContact O-N 3.15Å; V342-I345 WeakPolarHBondContact O-CB 3.42Å; V342-I345 PolarHBondContact O-N 3.3Å; V342-I345 VanDerWaalsContact O-N 3.09Å; D343-I345 PolarHBondContact O-N 3.24Å; I345-G347 VanDerWaalsContact C-N 3.31Å; I345-G347 PolarHBondContact O-N 3.25Å; I345-K348 PolarHBondContact O-N 2.83Å; I345-K348 VanDerWaalsContact O-N 3.13Å; I345-I349 PolarHBondContact O-N 3.3Å
346	I	98.8	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-44.2	177	-61.9	-58.7	0	0	0	110.3	M59 I82 L313 V342 D343 K348 I349 M350 F366	M59-I346 HydrophobicContact CB-CD1 3.88Å; M59-I346 HydrophobicContact CE-CG2 4.43Å; M59-I346 HydrophobicContact CG-CD1 4.04Å; M59-I346 HydrophobicContact SD-CD1 3.5Å; M59-I346 VanDerWaalsContact SD-CD1 3.5Å; M59-I346 HydrophobicContact SD-CG2 4.21Å; I82-I346 HydrophobicContact CG1-CB 4.25Å; I82-I346 HydrophobicContact CG1-CG1 4.2Å; I82-I346 HydrophobicContact CG1-CG2 4.24Å; L313-I346 HydrophobicContact CD1-CD1 4.41Å; V342-I346 HydrophobicContact CG1-CG1 4.24Å; V342-I346 VanDerWaalsContact O-CG1 3.32Å; V342-I346 WeakPolarHBondContact O-CG1 3.3Å; V342-I346 PolarHBondContact O-N 3.25Å; D343-I346 PolarHBondContact O-N 3.19Å; I346-K348 VanDerWaalsContact C-N 3.3Å; I346-K348 PolarHBondContact O-N 3.34Å; I346-I349 PolarHBondContact O-N 2.75Å; I346-M350 HydrophobicContact CG2-CG 4.49Å; I346-M350 HydrophobicContact CG2-SD 4.14Å; I346-M350 WeakPolarHBondContact O-CG 3.47Å; I346-M350 PolarHBondContact O-N 2.54Å; I346-F366 HydrophobicContact CD1-CD2 3.77Å; I346-F366 HydrophobicContact CD1-CE2 3.89Å; I346-F366 HydrophobicContact CG1-CD2 4.06Å; I346-F366 HydrophobicContact CG1-CE2 3.86Å
347	G	98.8	Very high	98.2	Very high	6 Å²	6	27.4 Å²	27.4	6%	0.062	16%	0.157	C	C	.	.	H	α-helix	trans	-55.5	-42.6	173.7	0	0	0	0	0	113	N81 D343 W344 I345 M350 E351	N81-G347 WeakPolarHBondContact OD1-CA 3.42Å; D343-G347 PolarHBondContact O-N 3.49Å; W344-G347 PolarHBondContact O-N 3.43Å; I345-G347 VanDerWaalsContact C-N 3.31Å; I345-G347 PolarHBondContact O-N 3.25Å; G347-M350 PolarHBondContact O-N 3.39Å; G347-E351 WeakPolarHBondContact O-CB 3.19Å; G347-E351 PolarHBondContact O-N 2.99Å
348	K	98.8	Very high	98.3	Very high	59 Å²	59	28.2 Å²	28.2	26%	0.257	16%	0.161	S	C	.	.	H	α-helix	trans	-67.9	-35.3	178.1	-70.4	-72.5	158.8	-156.2	0	113.3	L292 W344 I345 I346 E351 T352	L292-K348 HydrophobicContact CD1-CB 3.8Å; L292-K348 HydrophobicContact CD2-CB 4.01Å; L292-K348 HydrophobicContact CD2-CG 4.13Å; W344-K348 HydrophobicContact CD2-CG 4.17Å; W344-K348 HydrophobicContact CH2-CG 4.23Å; W344-K348 HydrophobicContact CZ2-CD 4.12Å; W344-K348 HydrophobicContact CZ2-CG 3.8Å; W344-K348 WeakPolarHBondContact O-CG 3.5Å; W344-K348 PolarHBondContact O-N 3.09Å; I345-K348 PolarHBondContact O-N 2.83Å; I345-K348 VanDerWaalsContact O-N 3.13Å; I346-K348 VanDerWaalsContact C-N 3.3Å; I346-K348 PolarHBondContact O-N 3.34Å; K348-E351 IonicContact NZ-OE1 3.12Å; K348-E351 IonicContact NZ-OE2 3.83Å; K348-E351 PolarHBondContact NZ-OE2 3.47Å; K348-T352 WeakPolarHBondContact O-CB 3.49Å; K348-T352 PolarHBondContact O-N 3.08Å; K348-T352 PolarHBondContact O-OG1 3.25Å
349	I	98.8	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.9	-46.8	173	-64.5	-60.5	0	0	0	110.5	V57 M59 L292 A295 Q296 I299 F311 I345 I346 E351 T352 V353	V57-I349 HydrophobicContact CG1-CG2 3.79Å; M59-I349 HydrophobicContact SD-CB 4.32Å; M59-I349 HydrophobicContact SD-CG2 3.96Å; L292-I349 HydrophobicContact CD1-CD1 3.81Å; L292-I349 HydrophobicContact CD1-CG1 4.16Å; A295-I349 HydrophobicContact CB-CD1 3.72Å; Q296-I349 HydrophobicContact CG-CD1 4.14Å; I299-I349 HydrophobicContact CD1-CD1 4.44Å; I299-I349 HydrophobicContact CD1-CG2 4.17Å; F311-I349 HydrophobicContact CD1-CD1 4.14Å; F311-I349 HydrophobicContact CD1-CG1 3.92Å; F311-I349 HydrophobicContact CE1-CD1 4Å; F311-I349 HydrophobicContact CE1-CG1 3.82Å; I345-I349 PolarHBondContact O-N 3.3Å; I346-I349 PolarHBondContact O-N 2.75Å; I349-E351 PolarHBondContact O-N 2.92Å; I349-T352 WeakPolarHBondContact O-CB 3.21Å; I349-T352 PolarHBondContact O-N 3.1Å; I349-T352 VanDerWaalsContact O-N 3.17Å; I349-V353 PolarHBondContact O-N 3.23Å; I349-V353 VanDerWaalsContact O-N 3.07Å
350	M	98.6	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.1	-48.5	175.7	-67.3	172	72.4	0	0	111.4	R84 L85 I346 G347 T352 V353 D354 M364	R84-M350 HydrophobicContact CG-CE 4.36Å; L85-M350 HydrophobicContact CB-CE 4.08Å; L85-M350 HydrophobicContact CB-SD 3.98Å; L85-M350 HydrophobicContact CD1-CE 3.86Å; L85-M350 HydrophobicContact CD1-CG 4.16Å; L85-M350 HydrophobicContact CD1-SD 3.79Å; L85-M350 HydrophobicContact CG-SD 4.47Å; I346-M350 HydrophobicContact CG2-CG 4.49Å; I346-M350 HydrophobicContact CG2-SD 4.14Å; I346-M350 WeakPolarHBondContact O-CG 3.47Å; I346-M350 PolarHBondContact O-N 2.54Å; G347-M350 PolarHBondContact O-N 3.39Å; M350-T352 VanDerWaalsContact C-N 3.26Å; M350-T352 PolarHBondContact O-N 2.72Å; M350-V353 PolarHBondContact O-N 3.39Å; M350-D354 WeakPolarHBondContact O-CB 3.27Å; M350-D354 PolarHBondContact O-N 2.89Å; M350-M364 HydrophobicContact CG-SD 4.32Å
351	E	98.7	Very high	98.4	Very high	101 Å²	101	35.7 Å²	35.7	47%	0.472	20%	0.204	S	C	.	.	H	α-helix	trans	-57.1	-38.9	176.3	-176.2	-174.9	172.1	0	0	112	G347 K348 I349 S355	G347-E351 WeakPolarHBondContact O-CB 3.19Å; G347-E351 PolarHBondContact O-N 2.99Å; K348-E351 IonicContact NZ-OE1 3.12Å; K348-E351 IonicContact NZ-OE2 3.83Å; K348-E351 PolarHBondContact NZ-OE2 3.47Å; I349-E351 PolarHBondContact O-N 2.92Å; E351-S355 WeakPolarHBondContact O-CB 3.17Å; E351-S355 PolarHBondContact O-N 2.97Å; E351-S355 PolarHBondContact O-OG 3.46Å
352	T	98.8	Very high	98.4	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.037	20%	0.203	C	C	.	.	H	α-helix	trans	-65.9	-44.7	178.2	-55.8	0	0	0	0	111.5	Q296 I299 K300 K348 I349 M350 S355 L356	Q296-T352 HydrophobicContact CB-CG2 4.35Å; Q296-T352 HydrophobicContact CG-CG2 4.41Å; Q296-T352 WeakPolarHBondContact CG-OG1 3.45Å; Q296-T352 PolarHBondContact NE2-OG1 3.09Å; I299-T352 HydrophobicContact CB-CG2 4.35Å; I299-T352 HydrophobicContact CG2-CG2 4.16Å; K300-T352 HydrophobicContact CG-CG2 4.31Å; K348-T352 WeakPolarHBondContact O-CB 3.49Å; K348-T352 PolarHBondContact O-N 3.08Å; K348-T352 PolarHBondContact O-OG1 3.25Å; I349-T352 WeakPolarHBondContact O-CB 3.21Å; I349-T352 PolarHBondContact O-N 3.1Å; I349-T352 VanDerWaalsContact O-N 3.17Å; M350-T352 VanDerWaalsContact C-N 3.26Å; M350-T352 PolarHBondContact O-N 2.72Å; T352-S355 PolarHBondContact O-OG 3.49Å; T352-S355 VanDerWaalsContact O-OG 3.1Å; T352-L356 HydrophobicContact CG2-CD1 4.19Å; T352-L356 WeakPolarHBondContact O-CD1 3.38Å; T352-L356 VanDerWaalsContact O-CG 3.24Å; T352-L356 WeakPolarHBondContact O-CG 3.21Å; T352-L356 PolarHBondContact O-N 3.23Å
353	V	98.7	Very high	98.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-43.2	177.5	177.3	0	0	0	0	111.2	V57 I299 I349 M350 L356 G357 L358 T362 M364	V57-V353 HydrophobicContact CG2-CG2 4.34Å; I299-V353 HydrophobicContact CD1-CG2 4.08Å; I299-V353 HydrophobicContact CG2-CG2 4.33Å; I349-V353 PolarHBondContact O-N 3.23Å; I349-V353 VanDerWaalsContact O-N 3.07Å; M350-V353 PolarHBondContact O-N 3.39Å; V353-L356 PolarHBondContact O-N 2.89Å; V353-G357 PolarHBondContact O-N 3.18Å; V353-L358 HydrophobicContact CG1-CB 3.75Å; V353-L358 PolarHBondContact O-N 3.31Å; V353-L358 VanDerWaalsContact O-N 3.09Å; V353-T362 HydrophobicContact CG1-CG2 4.04Å; V353-M364 HydrophobicContact CB-CE 3.37Å; V353-M364 HydrophobicContact CG1-CE 3.43Å; V353-M364 VanDerWaalsContact CG1-CE 3.43Å; V353-M364 HydrophobicContact CG2-CE 3.5Å; V353-M364 VanDerWaalsContact CG2-CE 3.5Å
354	D	98.1	Very high	98.4	Very high	48 Å²	48	35.4 Å²	35.4	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-64.1	-45.4	-179.1	-66.7	-10.5	0	0	0	110.6	R84 M350 L356 G357 A359 R411	R84-D354 IonicContact CZ-OD2 2.57Å; R84-D354 IonicContact NH1-OD2 3.51Å; R84-D354 IonicContact NH2-OD2 3.54Å; R84-D354 PolarHBondContact NH2-OD2 2.9Å; M350-D354 WeakPolarHBondContact O-CB 3.27Å; M350-D354 PolarHBondContact O-N 2.89Å; D354-L356 VanDerWaalsContact C-N 3.29Å; D354-L356 PolarHBondContact O-N 2.8Å; D354-G357 PolarHBondContact O-N 3.09Å; D354-A359 WeakPolarHBondContact OD1-CB 3.41Å; D354-R411 IonicContact OD1-CZ 2.65Å; D354-R411 IonicContact OD1-NH1 2.8Å; D354-R411 PolarHBondContact OD1-NH1 3.1Å; D354-R411 IonicContact OD1-NH2 4Å; D354-R411 PolarHBondContact OD1-NH2 2.57Å; D354-R411 VanDerWaalsContact OD1-NH2 3.09Å; D354-R411 IonicContact OD2-NH1 3.15Å; D354-R411 IonicContact OD2-NH2 3.15Å; D354-R411 PolarHBondContact OD2-NH2 3.11Å
355	S	98.4	Very high	98.4	Very high	94 Å²	94	31 Å²	31	66%	0.657	19%	0.186	S	C	*	.	H	α-helix	trans	-67.1	-24.8	179.5	60	0	0	0	0	114.4	E351 T352 G357	E351-S355 WeakPolarHBondContact O-CB 3.17Å; E351-S355 PolarHBondContact O-N 2.97Å; E351-S355 PolarHBondContact O-OG 3.46Å; T352-S355 PolarHBondContact O-OG 3.49Å; T352-S355 VanDerWaalsContact O-OG 3.1Å; S355-G357 VanDerWaalsContact C-N 3.28Å
356	L	98.3	Very high	98.4	Very high	69 Å²	69	31 Å²	31	36%	0.361	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	0.1	173.6	-66.7	171.1	0	0	0	112.9	I299 K300 A303 T352 V353 D354 L358	I299-L356 HydrophobicContact CG2-CD1 3.75Å; K300-L356 HydrophobicContact CG-CD1 4.11Å; A303-L356 HydrophobicContact CB-CD1 4.34Å; T352-L356 HydrophobicContact CG2-CD1 4.19Å; T352-L356 WeakPolarHBondContact O-CD1 3.38Å; T352-L356 VanDerWaalsContact O-CG 3.24Å; T352-L356 WeakPolarHBondContact O-CG 3.21Å; T352-L356 PolarHBondContact O-N 3.23Å; V353-L356 PolarHBondContact O-N 2.89Å; D354-L356 VanDerWaalsContact C-N 3.29Å; D354-L356 PolarHBondContact O-N 2.8Å; L356-L358 HydrophobicContact CB-CD1 3.84Å; L356-L358 HydrophobicContact CB-CG 3.83Å; L356-L358 HydrophobicContact CD1-CD1 4.08Å; L356-L358 PolarHBondContact O-N 2.99Å
357	G	97.6	Very high	98.4	Very high	65 Å²	65	31 Å²	31	67%	0.67	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	17.7	-177.9	0	0	0	0	0	113.9	V353 D354 S355	V353-G357 PolarHBondContact O-N 3.18Å; D354-G357 PolarHBondContact O-N 3.09Å; S355-G357 VanDerWaalsContact C-N 3.28Å
358	L	98.1	Very high	98.4	Very high	23 Å²	23	30.7 Å²	30.7	12%	0.12	18%	0.183	C	C	.	.			trans	-90.1	-10.6	-174.1	-63.6	176.4	0	0	0	113.3	I299 A303 F307 V353 L356 N360 N361 T362	I299-L358 HydrophobicContact CG2-CD1 4.31Å; A303-L358 HydrophobicContact CB-CD1 4.17Å; F307-L358 HydrophobicContact CE1-CD1 4.1Å; F307-L358 HydrophobicContact CZ-CD1 4.44Å; V353-L358 HydrophobicContact CG1-CB 3.75Å; V353-L358 PolarHBondContact O-N 3.31Å; V353-L358 VanDerWaalsContact O-N 3.09Å; L356-L358 HydrophobicContact CB-CD1 3.84Å; L356-L358 HydrophobicContact CB-CG 3.83Å; L356-L358 HydrophobicContact CD1-CD1 4.08Å; L356-L358 PolarHBondContact O-N 2.99Å; L358-N360 PolarHBondContact O-N 3.49Å; L358-N361 CarbonylContact O-C 3.38Å; L358-N361 PolarHBondContact O-N 3.16Å; L358-T362 WeakPolarHBondContact O-CB 3.4Å; L358-T362 PolarHBondContact O-N 3.18Å; L358-T362 VanDerWaalsContact O-N 3.16Å; L358-T362 PolarHBondContact O-OG1 3.36Å
359	A	97.7	Very high	98.4	Very high	16 Å²	16	27.9 Å²	27.9	13%	0.132	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-53.1	-46.8	-170.7	0	0	0	0	0	113.6	D354 N361 T362 P413	D354-A359 WeakPolarHBondContact OD1-CB 3.41Å; A359-N361 PolarHBondContact O-N 2.7Å; A359-N361 VanDerWaalsContact O-N 3.15Å; A359-T362 PolarHBondContact O-N 2.78Å; A359-P413 WeakPolarHBondContact O-CD 3.45Å
360	N	97.4	Very high	98.3	Very high	112 Å²	112	27.9 Å²	27.9	60%	0.599	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-66.7	-17.5	-178.2	-72.7	-17.1	0	0	0	113.9	L358 W412	L358-N360 PolarHBondContact O-N 3.49Å; N360-W412 PolarHBondContact O-NE1 2.72Å
361	N	97.7	Very high	98.3	Very high	47 Å²	47	27.9 Å²	27.9	25%	0.251	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-118	22.2	178.2	-166	45.1	0	0	0	112.5	K52 R53 P54 N55 L358 A359	K52-N361 PolarHBondContact O-OD1 3.24Å; R53-N361 PolarHBondContact O-ND2 3.38Å; R53-N361 VanDerWaalsContact O-ND2 3.07Å; P54-N361 CarbonylContact C-O 3.42Å; P54-N361 VanDerWaalsContact CA-O 3.31Å; P54-N361 WeakPolarHBondContact CA-O 3.49Å; P54-N361 WeakPolarHBondContact CA-OD1 3.18Å; N55-N361 PolarHBondContact N-O 3.14Å; L358-N361 CarbonylContact O-C 3.38Å; L358-N361 PolarHBondContact O-N 3.16Å; A359-N361 PolarHBondContact O-N 2.7Å; A359-N361 VanDerWaalsContact O-N 3.15Å
362	T	98.6	Very high	98.1	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.5	-179.6	-56.1	0	0	0	0	110.4	N55 V57 V353 L358 A359 M364	N55-T362 HydrophobicContact CB-CG2 3.96Å; N55-T362 CarbonylContact O-C 3.49Å; N55-T362 WeakPolarHBondContact O-CA 3.32Å; V57-T362 HydrophobicContact CB-CG2 4.33Å; V57-T362 HydrophobicContact CG2-CG2 3.76Å; V353-T362 HydrophobicContact CG1-CG2 4.04Å; L358-T362 WeakPolarHBondContact O-CB 3.4Å; L358-T362 PolarHBondContact O-N 3.18Å; L358-T362 VanDerWaalsContact O-N 3.16Å; L358-T362 PolarHBondContact O-OG1 3.36Å; A359-T362 PolarHBondContact O-N 2.78Å; T362-M364 HydrophobicContact CG2-CE 4.24Å; T362-M364 HydrophobicContact CG2-CG 4.08Å
363	F	98.7	Very high	98	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	110.1	170.3	178.4	-95.6	0	0	0	109.2	N55 F56 V57 L58 H365 F410 W412 L431 T434 L435 L438 M454 L457	N55-F363 PolarHBondContact O-N 3.44Å; F56-F363 WeakPolarHBondContact CA-O 3.49Å; F56-F363 HydrophobicContact CD1-CB 3.87Å; F56-F363 AromaticContact CD1-CD1 3.91Å; F56-F363 HydrophobicContact CD1-CD1 3.91Å; F56-F363 HydrophobicContact CD1-CG 4.25Å; F56-F363 HydrophobicContact CE1-CB 4.2Å; F56-F363 HydrophobicContact CE1-CD1 4.42Å; V57-F363 PolarHBondContact N-O 3.28Å; L58-F363 HydrophobicContact CD2-CD1 4.48Å; F363-H365 HydrophobicContact CE1-CB 4.43Å; F363-F410 AromaticContact CE1-CD1 3.9Å; F363-F410 HydrophobicContact CE1-CD1 3.9Å; F363-F410 AromaticContact CE1-CE1 3.98Å; F363-F410 HydrophobicContact CE1-CE1 3.98Å; F363-F410 AromaticContact CE2-CD1 3.76Å; F363-F410 HydrophobicContact CE2-CD1 3.76Å; F363-F410 HydrophobicContact CE2-CE1 4.38Å; F363-F410 AromaticContact CZ-CD1 3.24Å; F363-F410 HydrophobicContact CZ-CD1 3.24Å; F363-F410 AromaticContact CZ-CE1 3.47Å; F363-F410 HydrophobicContact CZ-CE1 3.47Å; F363-F410 VanDerWaalsContact CZ-CE1 3.47Å; F363-F410 HydrophobicContact CZ-CG 4.43Å; F363-W412 HydrophobicContact CB-CD2 4.29Å; F363-W412 HydrophobicContact CB-CE3 3.95Å; F363-W412 HydrophobicContact CB-CZ3 4.23Å; F363-W412 HydrophobicContact CD2-CD2 4.48Å; F363-W412 AromaticContact CD2-CE3 3.63Å; F363-W412 HydrophobicContact CD2-CE3 3.63Å; F363-W412 HydrophobicContact CD2-CZ3 4.13Å; F363-W412 HydrophobicContact CG-CE3 4.28Å; F363-L431 HydrophobicContact CE1-CD1 4.06Å; F363-T434 HydrophobicContact CZ-CG2 4.14Å; F363-L435 HydrophobicContact CD1-CD2 4.3Å; F363-L435 HydrophobicContact CE1-CD2 4.33Å; F363-L438 HydrophobicContact CD2-CD1 4.11Å; F363-L438 HydrophobicContact CE2-CD1 4.29Å; F363-L438 HydrophobicContact CG-CD1 4.2Å; F363-M454 HydrophobicContact CE2-SD 4.1Å; F363-L457 HydrophobicContact CE2-CD1 4.18Å; F363-L457 HydrophobicContact CZ-CD1 4.43Å
364	M	98.9	Very high	97.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.8	176.3	-61.1	178.3	171.4	0	0	110.6	V57 M59 L85 M350 V353 T362 F410 R411	V57-M364 HydrophobicContact CB-CG 4.21Å; V57-M364 CarbonylContact O-C 3.42Å; V57-M364 VanDerWaalsContact O-CA 3.25Å; V57-M364 WeakPolarHBondContact O-CA 3.34Å; M59-M364 HydrophobicContact CE-CB 4.37Å; L85-M364 HydrophobicContact CD1-CB 4.43Å; L85-M364 HydrophobicContact CD1-SD 4.2Å; M350-M364 HydrophobicContact CG-SD 4.32Å; V353-M364 HydrophobicContact CB-CE 3.37Å; V353-M364 HydrophobicContact CG1-CE 3.43Å; V353-M364 VanDerWaalsContact CG1-CE 3.43Å; V353-M364 HydrophobicContact CG2-CE 3.5Å; V353-M364 VanDerWaalsContact CG2-CE 3.5Å; T362-M364 HydrophobicContact CG2-CE 4.24Å; T362-M364 HydrophobicContact CG2-CG 4.08Å; M364-F410 CarbonylContact O-C 3.15Å; M364-F410 VanDerWaalsContact O-CA 3.29Å; M364-F410 WeakPolarHBondContact O-CA 3.31Å; M364-R411 HydrophobicContact CB-CB 4.21Å; M364-R411 WeakPolarHBondContact CB-O 3.15Å; M364-R411 PolarHBondContact N-O 3.13Å; M364-R411 PolarHBondContact O-N 3.33Å
365	H	98.9	Very high	97.5	Very high	2 Å²	2	23 Å²	23	1%	0.009	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.6	175.1	165.4	-113.7	0	0	0	109.5	V57 L58 M59 Y95 F363 T367 I409 F410	V57-H365 PolarHBondContact O-N 3.32Å; L58-H365 HydrophobicContact CD2-CB 3.82Å; M59-H365 WeakPolarHBondContact CB-O 3.37Å; M59-H365 PolarHBondContact N-O 2.81Å; Y95-H365 AromaticContact CE1-NE2 3.34Å; Y95-H365 VanDerWaalsContact CE1-NE2 3.34Å; Y95-H365 WeakPolarHBondContact CE1-NE2 3.43Å; Y95-H365 AromaticContact CZ-NE2 3.52Å; Y95-H365 PolarHBondContact OH-NE2 3.36Å; F363-H365 HydrophobicContact CE1-CB 4.43Å; H365-T367 WeakPolarHBondContact CE1-CG2 3.32Å; H365-I409 CarbonylContact C-O 3.49Å; H365-I409 VanDerWaalsContact CA-O 3.31Å; H365-I409 WeakPolarHBondContact CA-O 3.35Å; H365-F410 HydrophobicContact CB-CD1 4.07Å; H365-F410 HydrophobicContact CB-CE1 3.97Å; H365-F410 AromaticContact CD2-CD1 3.96Å; H365-F410 AromaticContact CD2-CE1 3.34Å; H365-F410 WeakPolarHBondContact CD2-CE1 3.42Å; H365-F410 AromaticContact CD2-CE2 3.87Å; H365-F410 AromaticContact CD2-CZ 3.3Å; H365-F410 WeakPolarHBondContact CD2-CZ 3.28Å; H365-F410 AromaticContact CG-CE1 3.88Å; H365-F410 AromaticContact NE2-CZ 3.85Å
366	F	98.9	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133	173.4	173.8	-86.4	0	0	0	110.2	M59 V61 L64 I69 I82 L85 I346 P407 I409	M59-F366 HydrophobicContact CB-CD2 4.22Å; M59-F366 HydrophobicContact CE-CB 4.4Å; M59-F366 WeakPolarHBondContact O-CA 3.4Å; V61-F366 HydrophobicContact CG2-CD2 4.46Å; V61-F366 HydrophobicContact CG2-CE2 3.5Å; V61-F366 VanDerWaalsContact CG2-CE2 3.5Å; V61-F366 HydrophobicContact CG2-CZ 3.73Å; L64-F366 HydrophobicContact CD2-CE1 3.88Å; L64-F366 HydrophobicContact CD2-CZ 3.6Å; I69-F366 HydrophobicContact CD1-CE1 4.11Å; I82-F366 HydrophobicContact CD1-CE1 4.46Å; I82-F366 HydrophobicContact CD1-CE2 3.99Å; I82-F366 HydrophobicContact CD1-CZ 3.7Å; I82-F366 HydrophobicContact CG1-CE2 4.2Å; I82-F366 HydrophobicContact CG1-CZ 4.17Å; I82-F366 HydrophobicContact CG2-CD1 4.25Å; I82-F366 HydrophobicContact CG2-CE1 3.93Å; I82-F366 HydrophobicContact CG2-CZ 4.22Å; L85-F366 HydrophobicContact CD2-CB 3.4Å; L85-F366 VanDerWaalsContact CD2-CB 3.4Å; L85-F366 HydrophobicContact CD2-CG 4.15Å; I346-F366 HydrophobicContact CD1-CD2 3.77Å; I346-F366 HydrophobicContact CD1-CE2 3.89Å; I346-F366 HydrophobicContact CG1-CD2 4.06Å; I346-F366 HydrophobicContact CG1-CE2 3.86Å; F366-P407 HydrophobicContact CD1-CB 4.48Å; F366-P407 HydrophobicContact CE1-CB 4.23Å; F366-I409 HydrophobicContact CB-CB 4.27Å; F366-I409 HydrophobicContact CD1-CD1 3.87Å; F366-I409 HydrophobicContact CD1-CG1 4.47Å; F366-I409 HydrophobicContact CE1-CD1 4.47Å; F366-I409 PolarHBondContact N-O 3.21Å; F366-I409 PolarHBondContact O-N 3.03Å
367	T	98.8	Very high	96.2	Very high	1 Å²	1	19 Å²	19	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	176.2	-179.6	-168.6	0	0	0	0	113	M59 M60 V61 Y95 H365 P407 L428	M59-T367 PolarHBondContact O-N 2.57Å; M60-T367 WeakPolarHBondContact CA-O 3.3Å; M60-T367 HydrophobicContact CB-CG2 4.24Å; M60-T367 HydrophobicContact CE-CG2 3.63Å; M60-T367 HydrophobicContact CG-CG2 4.32Å; V61-T367 PolarHBondContact N-O 3.41Å; Y95-T367 WeakPolarHBondContact CE1-OG1 3.4Å; H365-T367 WeakPolarHBondContact CE1-CG2 3.32Å; T367-P407 WeakPolarHBondContact CA-O 3.45Å; T367-P407 WeakPolarHBondContact CB-O 3.22Å; T367-P407 PolarHBondContact OG1-O 2.65Å; T367-L428 HydrophobicContact CG2-CD2 3.97Å; T367-L428 VanDerWaalsContact OG1-CD2 3.28Å; T367-L428 WeakPolarHBondContact OG1-CD2 3.24Å
368	S	98.6	Very high	94.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	163.8	154.5	-160.3	0	0	0	0	112.8	V61 L64 H370	V61-S368 WeakPolarHBondContact O-CA 3.44Å; V61-S368 WeakPolarHBondContact O-CB 3.41Å; V61-S368 PolarHBondContact O-OG 3.3Å; L64-S368 PolarHBondContact N-OG 3.44Å; L64-S368 VanDerWaalsContact O-CB 3.27Å; L64-S368 WeakPolarHBondContact O-CB 3.24Å; L64-S368 PolarHBondContact O-OG 3.2Å; S368-H370 WeakPolarHBondContact CB-O 3.13Å; S368-H370 PolarHBondContact OG-O 3.29Å; S368-H370 VanDerWaalsContact OG-O 3.1Å
369	D	97.5	Very high	93.3	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-76.9	-32.1	170.2	55.9	-11.6	0	0	0	112.7	M60 V61 D63 A97 C102 S105 R106	M60-D369 HydrophobicContact CE-CB 4.03Å; M60-D369 HydrophobicContact CG-CB 4.39Å; M60-D369 HydrophobicContact SD-CB 3.76Å; V61-D369 PolarHBondContact O-N 3.5Å; D63-D369 PolarHBondContact N-OD1 2.72Å; A97-D369 WeakPolarHBondContact CB-O 3.44Å; C102-D369 WeakPolarHBondContact CA-OD2 3.21Å; C102-D369 WeakPolarHBondContact CB-OD2 3.43Å; S105-D369 WeakPolarHBondContact CB-O 3.45Å; S105-D369 PolarHBondContact OG-O 3.23Å; R106-D369 HydrophobicContact CG-CB 4.12Å; R106-D369 IonicContact CZ-OD2 3.5Å; R106-D369 IonicContact NE-OD2 2.84Å; R106-D369 PolarHBondContact NE-OD2 3.21Å; R106-D369 IonicContact NH2-OD2 3.87Å; R106-D369 PolarHBondContact NH2-OD2 2.97Å
370	H	98	Very high	91.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-160.8	-176	171.4	53.6	72.9	0	0	0	110.5	D63 A97 L101 C102 S368 K395 V406	D63-H370 IonicContact OD1-CE1 3.7Å; D63-H370 PolarHBondContact OD1-CE1 3.39Å; D63-H370 IonicContact OD1-ND1 2.83Å; D63-H370 IonicContact OD1-NE2 2.94Å; D63-H370 PolarHBondContact OD1-NE2 2.83Å; A97-H370 HydrophobicContact CB-CB 4.47Å; L101-H370 WeakPolarHBondContact CA-CD2 3.35Å; L101-H370 PolarHBondContact N-CD2 3.32Å; C102-H370 PolarHBondContact N-CD2 2.92Å; C102-H370 PolarHBondContact N-NE2 2.84Å; C102-H370 PolarHBondContact SG-NE2 2.97Å; S368-H370 WeakPolarHBondContact CB-O 3.13Å; S368-H370 PolarHBondContact OG-O 3.29Å; S368-H370 VanDerWaalsContact OG-O 3.1Å; H370-K395 VanDerWaalsContact CE1-CG 3.49Å; H370-K395 WeakPolarHBondContact CE1-CG 3.47Å; H370-V406 VanDerWaalsContact C-CG1 3.4Å
371	G	97.1	Very high	90	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.162	C	C	.	.			trans	-67.9	166.2	179.9	0	0	0	0	0	114.8	G402 G403	G371-G402 VanDerWaalsContact CA-O 3.29Å; G371-G402 WeakPolarHBondContact CA-O 2.96Å; G371-G403 PolarHBondContact N-O 3.49Å; G371-G403 VanDerWaalsContact N-O 3.12Å
372	G	96.5	Very high	88.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.168	C	C	.	.			trans	-65	149.2	-178.5	0	0	0	0	0	113.6	D63 L374 N388 G394 K395	D63-G372 WeakPolarHBondContact O-CA 3.44Å; G372-L374 PolarHBondContact O-N 2.76Å; G372-N388 PolarHBondContact N-OD1 2.84Å; G372-N388 PolarHBondContact O-ND2 3.44Å; G372-G394 VanDerWaalsContact O-CA 3.3Å; G372-G394 WeakPolarHBondContact O-CA 3.18Å; G372-K395 PolarHBondContact O-N 2.81Å
373	H	95.5	Very high	87.9	Confident	17 Å²	17	31.7 Å²	31.7	8%	0.079	19%	0.187	C	C	.	.			trans	-85.1	98.7	-179	-163.5	169.2	0	0	0	111.1	E375 D376 Q383 G385 K395 R512	H373-E375 IonicContact CD2-OE2 2.71Å; H373-E375 PolarHBondContact CD2-OE2 3.23Å; H373-E375 VanDerWaalsContact CD2-OE2 3.31Å; H373-E375 IonicContact NE2-OE2 2.93Å; H373-D376 HydrophobicContact CB-CB 4.24Å; H373-Q383 PolarHBondContact O-NE2 3.2Å; H373-G385 CarbonylContact O-C 3.44Å; H373-G385 VanDerWaalsContact O-CA 3.27Å; H373-G385 WeakPolarHBondContact O-CA 3.42Å; H373-K395 HydrophobicContact CB-CB 4.11Å; H373-K395 HydrophobicContact CB-CD 3.81Å; H373-R512 PolarHBondContact NE2-O 3.29Å
374	L	94.1	Very high	87.4	Confident	25 Å²	25	32.4 Å²	32.4	13%	0.131	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-36.5	-176.5	-61.9	-177	0	0	0	112.8	G372 D376 Q383 G393 Y509	G372-L374 PolarHBondContact O-N 2.76Å; L374-D376 VanDerWaalsContact C-N 3.31Å; L374-D376 PolarHBondContact O-N 2.96Å; L374-Q383 PolarHBondContact O-NE2 3.2Å; L374-Q383 PolarHBondContact O-OE1 2.62Å; L374-G393 WeakPolarHBondContact CD1-O 3.43Å; L374-Y509 WeakPolarHBondContact O-CE1 3.34Å; L374-Y509 PolarHBondContact O-OH 3.36Å
375	E	92.3	Very high	86.9	Confident	9 Å²	9	32.7 Å²	32.7	4%	0.042	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.2	-174.3	-60.9	89.6	160.4	0	0	114	H373 S377 M397 G507 C508 Y509 R512	H373-E375 IonicContact CD2-OE2 2.71Å; H373-E375 PolarHBondContact CD2-OE2 3.23Å; H373-E375 VanDerWaalsContact CD2-OE2 3.31Å; H373-E375 IonicContact NE2-OE2 2.93Å; E375-S377 PolarHBondContact O-N 3.35Å; E375-S377 VanDerWaalsContact O-N 3.09Å; E375-M397 WeakPolarHBondContact OE1-CE 3.33Å; E375-G507 WeakPolarHBondContact OE1-CA 3.42Å; E375-C508 PolarHBondContact OE1-N 3.29Å; E375-Y509 HydrophobicContact CB-CD1 4.22Å; E375-Y509 HydrophobicContact CB-CE1 4.44Å; E375-Y509 HydrophobicContact CG-CD1 4.31Å; E375-Y509 HydrophobicContact CG-CG 4.33Å; E375-R512 WeakPolarHBondContact CB-O 3.22Å
376	D	88.1	Confident	86.6	Confident	22 Å²	22	32.6 Å²	32.6	12%	0.118	19%	0.193	C	C	.	.			trans	-78	98.5	178.8	-160.3	-10.2	0	0	0	110.3	T318 H373 L374 K384 G385	T318-D376 WeakPolarHBondContact CB-OD2 3.22Å; T318-D376 WeakPolarHBondContact CG2-OD2 3.02Å; T318-D376 PolarHBondContact OG1-OD2 2.95Å; H373-D376 HydrophobicContact CB-CB 4.24Å; L374-D376 VanDerWaalsContact C-N 3.31Å; L374-D376 PolarHBondContact O-N 2.96Å; D376-K384 WeakPolarHBondContact O-CA 3.5Å; D376-K384 PolarHBondContact O-N 3.2Å; D376-G385 PolarHBondContact O-N 3.16Å; D376-G385 VanDerWaalsContact O-N 3.09Å
377	S	82.3	Confident	86.3	Confident	57 Å²	57	38.5 Å²	38.5	40%	0.399	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155.8	-179	60.3	0	0	0	0	110.4	E375 G382	E375-S377 PolarHBondContact O-N 3.35Å; E375-S377 VanDerWaalsContact O-N 3.09Å; S377-G382 VanDerWaalsContact CA-O 3.3Å; S377-G382 WeakPolarHBondContact CA-O 3.5Å
378	D	70.1	Confident	86.2	Confident	51 Å²	51	38.5 Å²	38.5	27%	0.273	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.6	173	-173.4	-30.2	0	0	0	110.2	L380 I381 G382 K384	D378-L380 PolarHBondContact O-N 2.81Å; D378-L380 PolarHBondContact OD1-N 2.77Å; D378-I381 PolarHBondContact O-N 3.39Å; D378-I381 VanDerWaalsContact O-N 3.16Å; D378-G382 PolarHBondContact N-O 3.42Å; D378-G382 WeakPolarHBondContact O-CA 3.15Å; D378-G382 PolarHBondContact O-N 2.75Å; D378-K384 HydrophobicContact CB-CD 4.43Å; D378-K384 VanDerWaalsContact CB-CE 3.46Å; D378-K384 IonicContact OD2-NZ 3.85Å; D378-K384 PolarHBondContact OD2-NZ 2.98Å
379	S	63.7	Low	86	Confident	123 Å²	123	40.1 Å²	40.1	86%	0.86	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45	-29.5	170.3	59.2	0	0	0	0	115.6
380	L	60.4	Low	86	Confident	152 Å²	152	44.8 Å²	44.8	80%	0.796	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-32.9	-177.8	-67	171.2	0	0	0	113.8	D378	D378-L380 PolarHBondContact O-N 2.81Å; D378-L380 PolarHBondContact OD1-N 2.77Å
381	I	64.6	Low	85.9	Confident	84 Å²	84	46.5 Å²	46.5	43%	0.431	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-18.4	-167.2	-59.1	175.1	0	0	0	111.7	D378	D378-I381 PolarHBondContact O-N 3.39Å; D378-I381 VanDerWaalsContact O-N 3.16Å
382	G	72.5	Confident	85.9	Confident	36 Å²	36	49.6 Å²	49.6	37%	0.371	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84.2	-150.8	-173.1	0	0	0	0	0	112.4	S377 D378 K384	S377-G382 VanDerWaalsContact CA-O 3.3Å; S377-G382 WeakPolarHBondContact CA-O 3.5Å; D378-G382 PolarHBondContact N-O 3.42Å; D378-G382 WeakPolarHBondContact O-CA 3.15Å; D378-G382 PolarHBondContact O-N 2.75Å; G382-K384 PolarHBondContact O-N 3.16Å
383	Q	80.6	Confident	85.9	Confident	86 Å²	86	49.7 Å²	49.7	40%	0.402	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	127.7	179.4	-171.8	66.9	19.9	0	0	111	H373 L374 G385	H373-Q383 PolarHBondContact O-NE2 3.2Å; L374-Q383 PolarHBondContact O-NE2 3.2Å; L374-Q383 PolarHBondContact O-OE1 2.62Å; Q383-G385 WeakPolarHBondContact CG-O 3.5Å; Q383-G385 PolarHBondContact NE2-O 2.02Å
384	K	87.3	Confident	86	Confident	15 Å²	15	48.9 Å²	48.9	7%	0.065	27%	0.268	C	S	.	.			trans	-110.1	-21.6	177.8	-66.3	-176.3	-178.9	177.1	0	113.4	E201 T318 L320 Y335 D376 D378 G382	E201-K384 IonicContact OE2-NZ 2.75Å; T318-K384 HydrophobicContact CG2-CB 4.14Å; L320-K384 HydrophobicContact CD1-CB 4.39Å; Y335-K384 WeakPolarHBondContact CD2-O 3.47Å; D376-K384 WeakPolarHBondContact O-CA 3.5Å; D376-K384 PolarHBondContact O-N 3.2Å; D378-K384 HydrophobicContact CB-CD 4.43Å; D378-K384 VanDerWaalsContact CB-CE 3.46Å; D378-K384 IonicContact OD2-NZ 3.85Å; D378-K384 PolarHBondContact OD2-NZ 2.98Å; G382-K384 PolarHBondContact O-N 3.16Å
385	G	90	Very high	86.1	Confident	6 Å²	6	48.3 Å²	48.3	6%	0.062	26%	0.264	C	S	.	.	S	Bend	trans	-101.3	175.8	176	0	0	0	0	0	114.4	H373 D376 Q383	H373-G385 CarbonylContact O-C 3.44Å; H373-G385 VanDerWaalsContact O-CA 3.27Å; H373-G385 WeakPolarHBondContact O-CA 3.42Å; D376-G385 PolarHBondContact O-N 3.16Å; D376-G385 VanDerWaalsContact O-N 3.09Å; Q383-G385 WeakPolarHBondContact CG-O 3.5Å; Q383-G385 PolarHBondContact NE2-O 2.02Å
386	G	91.8	Very high	86.3	Confident	1 Å²	1	48 Å²	48	1%	0.01	26%	0.263	C	S	.	.			trans	-75.4	168.6	-173.5	0	0	0	0	0	116.8	D68 Y335	D68-G386 VanDerWaalsContact OD2-CA 3.29Å; D68-G386 WeakPolarHBondContact OD2-CA 3.36Å; Y335-G386 WeakPolarHBondContact OH-CA 3.37Å
387	W	93.3	Very high	86.7	Confident	123 Å²	123	47 Å²	47	47%	0.466	26%	0.258	S	S	.	.			trans	-117.5	137	-178.1	179.6	68.4	0	0	0	112.4	G65 G67 D68 S389	G65-W387 CarbonylContact C-O 3.58Å; G65-W387 WeakPolarHBondContact CA-O 3.42Å; G67-W387 VanDerWaalsContact CA-O 3.31Å; G67-W387 WeakPolarHBondContact CA-O 3.46Å; G67-W387 PolarHBondContact N-O 3.22Å; G67-W387 VanDerWaalsContact O-CZ3 3.25Å; G67-W387 WeakPolarHBondContact O-CZ3 3.43Å; D68-W387 VanDerWaalsContact CG-N 3.34Å; D68-W387 WeakPolarHBondContact OD1-CB 3.01Å; D68-W387 PolarHBondContact OD1-N 3.03Å; D68-W387 PolarHBondContact OD2-N 2.68Å; D68-W387 VanDerWaalsContact OD2-N 3.1Å; W387-S389 VanDerWaalsContact CE2-CA 3.49Å; W387-S389 VanDerWaalsContact CH2-CA 3.49Å
388	N	96.3	Very high	87.1	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.011	24%	0.239	C	C	.	.			trans	-106.1	23.8	-172.3	-57.3	-48.9	0	0	0	113.2	G65 G372 Y391 G393 G394 G402	G65-N388 WeakPolarHBondContact CA-OD1 3.36Å; G372-N388 PolarHBondContact N-OD1 2.84Å; G372-N388 PolarHBondContact O-ND2 3.44Å; N388-Y391 VanDerWaalsContact O-CB 3.28Å; N388-Y391 WeakPolarHBondContact O-CB 3.49Å; N388-Y391 WeakPolarHBondContact O-CD2 3.31Å; N388-Y391 PolarHBondContact O-N 3.44Å; N388-Y391 VanDerWaalsContact O-N 3.08Å; N388-G393 PolarHBondContact ND2-O 2.91Å; N388-G394 VanDerWaalsContact ND2-CA 3.32Å; N388-G394 WeakPolarHBondContact ND2-CA 3.42Å; N388-G402 PolarHBondContact ND2-O 3.44Å; N388-G402 VanDerWaalsContact ND2-O 3.13Å; N388-G402 PolarHBondContact OD1-O 3.01Å
389	S	94.8	Very high	88.3	Confident	33 Å²	33	41.9 Å²	41.9	23%	0.231	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-139.2	177.7	-164.9	0	0	0	0	113.7	W387 Y391	W387-S389 VanDerWaalsContact CE2-CA 3.49Å; W387-S389 VanDerWaalsContact CH2-CA 3.49Å; S389-Y391 PolarHBondContact O-N 2.94Å
390	I	95.9	Very high	89.9	Confident	98 Å²	98	36.3 Å²	36.3	50%	0.503	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.6	174.8	66.7	176.6	0	0	0	113.1	P536 S537	I390-P536 HydrophobicContact CD1-CB 4.09Å; I390-P536 HydrophobicContact CD1-CG 3.75Å; I390-S537 VanDerWaalsContact O-CA 3.31Å; I390-S537 WeakPolarHBondContact O-CA 3.43Å; I390-S537 WeakPolarHBondContact O-CB 3.03Å
391	Y	97.6	Very high	91.7	Very high	36 Å²	36	29.1 Å²	29.1	14%	0.141	15%	0.148	C	C	.	.	S	Bend	trans	-80.1	129.3	-173.5	-53.5	-71.5	0	0	0	110.2	I66 N388 S389 E401 R405 P536	I66-Y391 HydrophobicContact CD1-CE2 4.01Å; I66-Y391 HydrophobicContact CG1-CE2 4.36Å; I66-Y391 HydrophobicContact CG2-CD2 3.35Å; I66-Y391 HydrophobicContact CG2-CE2 3.61Å; I66-Y391 HydrophobicContact CG2-CG 4.46Å; N388-Y391 VanDerWaalsContact O-CB 3.28Å; N388-Y391 WeakPolarHBondContact O-CB 3.49Å; N388-Y391 WeakPolarHBondContact O-CD2 3.31Å; N388-Y391 PolarHBondContact O-N 3.44Å; N388-Y391 VanDerWaalsContact O-N 3.08Å; S389-Y391 PolarHBondContact O-N 2.94Å; Y391-E401 HydrophobicContact CD1-CB 3.75Å; Y391-E401 HydrophobicContact CD1-CG 4.31Å; Y391-E401 HydrophobicContact CG-CB 4.13Å; Y391-R405 VanDerWaalsContact CE1-CD 3.42Å; Y391-R405 PolarHBondContact OH-NH1 3.03Å; Y391-P536 WeakPolarHBondContact CD1-O 3.46Å; Y391-P536 HydrophobicContact CE1-CB 4.08Å
392	K	96.8	Very high	93.3	Very high	66 Å²	66	25.1 Å²	25.1	29%	0.287	13%	0.127	S	C	.	.			trans	-69.3	143	-179.4	-176.2	167.3	175.3	-176.5	0	111.1	W400 G402 S537	K392-W400 HydrophobicContact CB-CE3 4.18Å; K392-W400 HydrophobicContact CD-CD2 3.96Å; K392-W400 HydrophobicContact CD-CE3 3.6Å; K392-W400 HydrophobicContact CD-CH2 3.98Å; K392-W400 HydrophobicContact CD-CZ2 4.24Å; K392-W400 HydrophobicContact CD-CZ3 3.63Å; K392-W400 HydrophobicContact CG-CD2 3.98Å; K392-W400 HydrophobicContact CG-CE3 3.94Å; K392-W400 HydrophobicContact CG-CG 4.32Å; K392-W400 HydrophobicContact CG-CZ3 4.47Å; K392-W400 WeakPolarHBondContact O-CB 3.07Å; K392-G402 VanDerWaalsContact O-CA 3.28Å; K392-G402 WeakPolarHBondContact O-CA 3.44Å; K392-G402 PolarHBondContact O-N 2.86Å; K392-S537 WeakPolarHBondContact CB-O 3.33Å
393	G	96.1	Very high	94.5	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.021	11%	0.11	C	C	.	.			trans	77.4	-172.8	175.3	0	0	0	0	0	115.2	L374 N388 M397 G402 G506	L374-G393 WeakPolarHBondContact CD1-O 3.43Å; N388-G393 PolarHBondContact ND2-O 2.91Å; G393-M397 WeakPolarHBondContact CA-SD 3.38Å; G393-G402 CarbonylContact O-C 3.46Å; G393-G402 WeakPolarHBondContact O-CA 2.9Å; G393-G506 WeakPolarHBondContact CA-O 3.33Å
394	G	97	Very high	95.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.			trans	-163.4	-158.5	-174.6	0	0	0	0	0	112.9	G372 N388 M397 G402 G403	G372-G394 VanDerWaalsContact O-CA 3.3Å; G372-G394 WeakPolarHBondContact O-CA 3.18Å; N388-G394 VanDerWaalsContact ND2-CA 3.32Å; N388-G394 WeakPolarHBondContact ND2-CA 3.42Å; G394-M397 PolarHBondContact N-SD 3.39Å; G394-M397 WeakPolarHBondContact O-CB 3.13Å; G394-M397 WeakPolarHBondContact O-CG 3.3Å; G394-M397 PolarHBondContact O-N 3.5Å; G394-G402 WeakPolarHBondContact CA-O 3.25Å; G394-G403 VanDerWaalsContact C-CA 3.42Å; G394-G403 WeakPolarHBondContact O-CA 3.15Å
395	K	97.1	Very high	95.9	Very high	13 Å²	13	19 Å²	19	6%	0.057	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.3	141.7	174.9	-176.5	176.3	-173.1	172.9	0	112.2	D63 L101 H317 H370 G372 H373 M397	D63-K395 IonicContact OD1-NZ 3.58Å; D63-K395 PolarHBondContact OD1-NZ 3.18Å; D63-K395 IonicContact OD2-NZ 3.71Å; D63-K395 PolarHBondContact OD2-NZ 2.82Å; L101-K395 HydrophobicContact CD2-CG 3.95Å; H317-K395 PolarHBondContact CD2-NZ 2.94Å; H317-K395 PolarHBondContact NE2-NZ 3.11Å; H370-K395 VanDerWaalsContact CE1-CG 3.49Å; H370-K395 WeakPolarHBondContact CE1-CG 3.47Å; G372-K395 PolarHBondContact O-N 2.81Å; H373-K395 HydrophobicContact CB-CB 4.11Å; H373-K395 HydrophobicContact CB-CD 3.81Å; K395-M397 PolarHBondContact O-N 2.93Å
396	A	96.1	Very high	96.3	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.017	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	-3.8	-173.6	0	0	0	0	0	116.9	P100 L101 G398 V513	P100-A396 PolarHBondContact O-N 3.18Å; L101-A396 HydrophobicContact CD2-CB 4.02Å; L101-A396 HydrophobicContact CG-CB 4.3Å; A396-G398 PolarHBondContact O-N 3.3Å; A396-V513 HydrophobicContact CB-CB 4.08Å
397	M	96.3	Very high	96.6	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.086	C	C	.	.			trans	-102.5	81.6	-178.4	-51.7	177.6	-148.9	0	0	112.2	E375 G393 G394 K395 G399 W400 F500 C514	E375-M397 WeakPolarHBondContact OE1-CE 3.33Å; G393-M397 WeakPolarHBondContact CA-SD 3.38Å; G394-M397 PolarHBondContact N-SD 3.39Å; G394-M397 WeakPolarHBondContact O-CB 3.13Å; G394-M397 WeakPolarHBondContact O-CG 3.3Å; G394-M397 PolarHBondContact O-N 3.5Å; K395-M397 PolarHBondContact O-N 2.93Å; M397-G399 PolarHBondContact O-N 2.84Å; M397-G399 VanDerWaalsContact O-N 3.14Å; M397-W400 HydrophobicContact CB-CB 4.47Å; M397-W400 PolarHBondContact O-N 3.2Å; M397-F500 HydrophobicContact CE-CE1 4.31Å; M397-F500 HydrophobicContact SD-CE1 3.59Å; M397-F500 VanDerWaalsContact SD-CE1 3.59Å; M397-F500 HydrophobicContact SD-CZ 4.04Å; M397-C514 HydrophobicContact CG-CB 3.97Å
398	G	91.5	Very high	96.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.7	-174	0	0	0	0	0	114.4	A396 I404 H471	A396-G398 PolarHBondContact O-N 3.3Å; G398-I404 WeakPolarHBondContact O-CG2 3.17Å; G398-H471 VanDerWaalsContact O-CB 3.3Å; G398-H471 WeakPolarHBondContact O-CB 3.48Å
399	G	94.7	Very high	97	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-26.7	-177.8	0	0	0	0	0	113.5	M397 N478 K492 H494	M397-G399 PolarHBondContact O-N 2.84Å; M397-G399 VanDerWaalsContact O-N 3.14Å; G399-N478 WeakPolarHBondContact CA-OD1 3.32Å; G399-N478 PolarHBondContact N-OD1 3.3Å; G399-K492 WeakPolarHBondContact O-CE 3.45Å; G399-K492 PolarHBondContact O-NZ 3.08Å; G399-H494 VanDerWaalsContact C-CE1 3.46Å; G399-H494 PolarHBondContact O-CE1 3.04Å
400	W	97.9	Very high	97.2	Very high	6 Å²	6	11.1 Å²	11.1	2%	0.023	5%	0.052	C	C	.	.	S	Bend	trans	-97.7	144.1	-174.6	-63.8	117.7	0	0	0	111.8	K392 M397 G402 G403 H494 T497 F500 Y530 E538	K392-W400 HydrophobicContact CB-CE3 4.18Å; K392-W400 HydrophobicContact CD-CD2 3.96Å; K392-W400 HydrophobicContact CD-CE3 3.6Å; K392-W400 HydrophobicContact CD-CH2 3.98Å; K392-W400 HydrophobicContact CD-CZ2 4.24Å; K392-W400 HydrophobicContact CD-CZ3 3.63Å; K392-W400 HydrophobicContact CG-CD2 3.98Å; K392-W400 HydrophobicContact CG-CE3 3.94Å; K392-W400 HydrophobicContact CG-CG 4.32Å; K392-W400 HydrophobicContact CG-CZ3 4.47Å; K392-W400 WeakPolarHBondContact O-CB 3.07Å; M397-W400 HydrophobicContact CB-CB 4.47Å; M397-W400 PolarHBondContact O-N 3.2Å; W400-G402 PolarHBondContact O-N 2.78Å; W400-G403 PolarHBondContact O-N 3Å; W400-H494 AromaticContact CD2-CE1 3.78Å; W400-H494 AromaticContact CE3-CE1 3.46Å; W400-H494 VanDerWaalsContact CE3-CE1 3.46Å; W400-H494 AromaticContact CZ3-CE1 3.6Å; W400-H494 AromaticContact CZ3-NE2 3.88Å; W400-T497 HydrophobicContact CH2-CG2 4.2Å; W400-T497 HydrophobicContact CZ2-CG2 3.54Å; W400-F500 AromaticContact CD1-CZ 3.66Å; W400-F500 AromaticContact NE1-CZ 3.37Å; W400-Y530 HydrophobicContact CH2-CE2 4.32Å; W400-Y530 HydrophobicContact CZ3-CE2 4.18Å; W400-E538 HydrophobicContact CE3-CB 3.92Å; W400-E538 HydrophobicContact CE3-CG 4.4Å; W400-E538 HydrophobicContact CZ3-CB 3.62Å; W400-E538 HydrophobicContact CZ3-CG 4.44Å
401	E	98.3	Very high	97.3	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-54.5	-39.9	-176.2	-75.1	-56.7	106.9	0	0	112.7	Y391 G403 I404 R405 R481 K492 L532 E538	Y391-E401 HydrophobicContact CD1-CB 3.75Å; Y391-E401 HydrophobicContact CD1-CG 4.31Å; Y391-E401 HydrophobicContact CG-CB 4.13Å; E401-G403 PolarHBondContact O-N 3.19Å; E401-G403 VanDerWaalsContact O-N 3.15Å; E401-I404 PolarHBondContact O-N 3.31Å; E401-R405 WeakPolarHBondContact O-CA 3.4Å; E401-R405 WeakPolarHBondContact O-CB 3.28Å; E401-R405 PolarHBondContact O-N 2.86Å; E401-R405 IonicContact OE2-CZ 3.02Å; E401-R405 IonicContact OE2-NE 3.77Å; E401-R405 PolarHBondContact OE2-NE 3.32Å; E401-R405 IonicContact OE2-NH2 3.94Å; E401-R405 PolarHBondContact OE2-NH2 2.85Å; E401-R481 IonicContact OE1-CZ 3.9Å; E401-R481 IonicContact OE1-NH2 2.75Å; E401-R481 PolarHBondContact OE1-NH2 2.86Å; E401-R481 IonicContact OE2-CZ 3.88Å; E401-R481 IonicContact OE2-NH2 3.31Å; E401-R481 PolarHBondContact OE2-NH2 2.68Å; E401-K492 WeakPolarHBondContact OE1-CE 3.39Å; E401-K492 IonicContact OE1-NZ 3.4Å; E401-K492 PolarHBondContact OE1-NZ 2.81Å; E401-L532 HydrophobicContact CG-CD1 4.28Å; E401-L532 HydrophobicContact CG-CD2 3.99Å; E401-E538 HydrophobicContact CG-CG 4.29Å; E401-E538 WeakPolarHBondContact CG-OE2 3.36Å; E401-E538 PolarHBondContact N-OE2 2.95Å
402	G	97.8	Very high	97.3	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-66.6	-15.9	-178.7	0	0	0	0	0	114.1	G371 N388 K392 G393 G394 W400	G371-G402 VanDerWaalsContact CA-O 3.29Å; G371-G402 WeakPolarHBondContact CA-O 2.96Å; N388-G402 PolarHBondContact ND2-O 3.44Å; N388-G402 VanDerWaalsContact ND2-O 3.13Å; N388-G402 PolarHBondContact OD1-O 3.01Å; K392-G402 VanDerWaalsContact O-CA 3.28Å; K392-G402 WeakPolarHBondContact O-CA 3.44Å; K392-G402 PolarHBondContact O-N 2.86Å; G393-G402 CarbonylContact O-C 3.46Å; G393-G402 WeakPolarHBondContact O-CA 2.9Å; G394-G402 WeakPolarHBondContact CA-O 3.25Å; W400-G402 PolarHBondContact O-N 2.78Å
403	G	97.4	Very high	97.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-90	-21.7	175.1	0	0	0	0	0	115	G371 G394 W400 E401	G371-G403 PolarHBondContact N-O 3.49Å; G371-G403 VanDerWaalsContact N-O 3.12Å; G394-G403 VanDerWaalsContact C-CA 3.42Å; G394-G403 WeakPolarHBondContact O-CA 3.15Å; W400-G403 PolarHBondContact O-N 3Å; E401-G403 PolarHBondContact O-N 3.19Å; E401-G403 VanDerWaalsContact O-N 3.15Å
404	I	98.2	Very high	97.3	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.01	5%	0.051	C	C	.	.	H	α-helix	trans	-123.2	-25	-172.2	60.7	173.7	0	0	0	113.6	I96 A97 P100 G398 E401 H471	I96-I404 CarbonylContact C-O 3.48Å; I96-I404 WeakPolarHBondContact CA-O 3.19Å; I96-I404 HydrophobicContact CG2-CB 4.01Å; I96-I404 HydrophobicContact CG2-CD1 3.83Å; I96-I404 HydrophobicContact CG2-CG1 4.05Å; A97-I404 WeakPolarHBondContact CB-O 3.46Å; A97-I404 PolarHBondContact N-O 3.46Å; P100-I404 HydrophobicContact CB-CG2 4.37Å; G398-I404 WeakPolarHBondContact O-CG2 3.17Å; E401-I404 PolarHBondContact O-N 3.31Å; I404-H471 HydrophobicContact CD1-CB 4.47Å; I404-H471 WeakPolarHBondContact CD1-ND1 3.31Å
405	R	98.3	Very high	97.3	Very high	6 Å²	6	11.7 Å²	11.7	2%	0.023	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.6	178.4	-170.8	-177.1	-73.8	-121	-0.6	108.9	I66 T93 Y95 I96 Y391 E401	I66-R405 HydrophobicContact CD1-CG 3.61Å; T93-R405 PolarHBondContact O-NH1 2.92Å; Y95-R405 WeakPolarHBondContact O-CA 3.26Å; I96-R405 HydrophobicContact CD1-CB 4.06Å; I96-R405 HydrophobicContact CD1-CG 4.1Å; Y391-R405 VanDerWaalsContact CE1-CD 3.42Å; Y391-R405 PolarHBondContact OH-NH1 3.03Å; E401-R405 WeakPolarHBondContact O-CA 3.4Å; E401-R405 WeakPolarHBondContact O-CB 3.28Å; E401-R405 PolarHBondContact O-N 2.86Å; E401-R405 IonicContact OE2-CZ 3.02Å; E401-R405 IonicContact OE2-NE 3.77Å; E401-R405 PolarHBondContact OE2-NE 3.32Å; E401-R405 IonicContact OE2-NH2 3.94Å; E401-R405 PolarHBondContact OE2-NH2 2.85Å
406	V	98.6	Very high	97.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	158.8	-174.7	-66.1	0	0	0	0	110.3	Y95 A97 H370 G408 L428	Y95-V406 HydrophobicContact CD1-CG2 3.93Å; Y95-V406 WeakPolarHBondContact O-CG2 3.44Å; Y95-V406 PolarHBondContact O-N 3.09Å; A97-V406 HydrophobicContact CB-CG1 4.34Å; H370-V406 VanDerWaalsContact C-CG1 3.4Å; V406-G408 PolarHBondContact O-N 3.28Å; V406-L428 HydrophobicContact CG2-CD2 4.21Å; V406-L428 HydrophobicContact CG2-CG 4.47Å
407	P	98.6	Very high	97.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	132.8	168.3	-26.3	36.3	0	0	0	111.2	L64 I66 I69 Y72 F366 T367	L64-P407 HydrophobicContact CD2-CG 4.25Å; I66-P407 HydrophobicContact CB-CG 4.46Å; I66-P407 HydrophobicContact CG1-CG 4.47Å; I69-P407 HydrophobicContact CD1-CB 3.8Å; I69-P407 HydrophobicContact CD1-CG 3.84Å; I69-P407 HydrophobicContact CG1-CG 4.48Å; Y72-P407 HydrophobicContact CD2-CB 4.47Å; Y72-P407 HydrophobicContact CE2-CB 3.92Å; F366-P407 HydrophobicContact CD1-CB 4.48Å; F366-P407 HydrophobicContact CE1-CB 4.23Å; T367-P407 WeakPolarHBondContact CA-O 3.45Å; T367-P407 WeakPolarHBondContact CB-O 3.22Å; T367-P407 PolarHBondContact OG1-O 2.65Å
408	G	98.6	Very high	97.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	109.4	169	0	0	0	0	0	110.4	Y72 L92 V406	Y72-G408 PolarHBondContact OH-N 3.22Å; Y72-G408 PolarHBondContact OH-O 3.2Å; Y72-G408 VanDerWaalsContact OH-O 3.04Å; L92-G408 PolarHBondContact N-O 3.15Å; V406-G408 PolarHBondContact O-N 3.28Å
409	I	98.9	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.9	-179.9	-55.6	166.7	0	0	0	109.4	I69 Y72 I82 L85 A86 V90 H365 F366	I69-I409 HydrophobicContact CD1-CD1 4.35Å; Y72-I409 HydrophobicContact CE2-CD1 4.18Å; Y72-I409 HydrophobicContact CE2-CG1 4.13Å; I82-I409 HydrophobicContact CG2-CD1 3.7Å; L85-I409 HydrophobicContact CB-CG2 4.31Å; L85-I409 HydrophobicContact CD2-CB 4.23Å; L85-I409 HydrophobicContact CD2-CG2 3.82Å; L85-I409 HydrophobicContact CG-CG2 3.76Å; A86-I409 HydrophobicContact CB-CD1 4.07Å; A86-I409 HydrophobicContact CB-CG1 4.33Å; A86-I409 HydrophobicContact CB-CG2 4.1Å; V90-I409 WeakPolarHBondContact O-CA 3.39Å; H365-I409 CarbonylContact C-O 3.49Å; H365-I409 VanDerWaalsContact CA-O 3.31Å; H365-I409 WeakPolarHBondContact CA-O 3.35Å; F366-I409 HydrophobicContact CB-CB 4.27Å; F366-I409 HydrophobicContact CD1-CD1 3.87Å; F366-I409 HydrophobicContact CD1-CG1 4.47Å; F366-I409 HydrophobicContact CE1-CD1 4.47Å; F366-I409 PolarHBondContact N-O 3.21Å; F366-I409 PolarHBondContact O-N 3.03Å
410	F	98.8	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.5	177.3	-65.7	-91.1	0	0	0	110.4	G89 V90 L92 F363 M364 H365 L416 L431 L453 L457	G89-F410 CarbonylContact C-O 3.42Å; G89-F410 WeakPolarHBondContact CA-O 3.25Å; V90-F410 HydrophobicContact CB-CB 4.46Å; V90-F410 PolarHBondContact N-O 3.16Å; V90-F410 PolarHBondContact O-N 2.78Å; L92-F410 HydrophobicContact CD1-CD2 4.12Å; L92-F410 HydrophobicContact CD1-CE2 3.46Å; L92-F410 VanDerWaalsContact CD1-CE2 3.46Å; L92-F410 HydrophobicContact CD1-CZ 4.43Å; L92-F410 HydrophobicContact CG-CD2 4.14Å; L92-F410 HydrophobicContact CG-CE2 3.96Å; F363-F410 AromaticContact CE1-CD1 3.9Å; F363-F410 HydrophobicContact CE1-CD1 3.9Å; F363-F410 AromaticContact CE1-CE1 3.98Å; F363-F410 HydrophobicContact CE1-CE1 3.98Å; F363-F410 AromaticContact CE2-CD1 3.76Å; F363-F410 HydrophobicContact CE2-CD1 3.76Å; F363-F410 HydrophobicContact CE2-CE1 4.38Å; F363-F410 AromaticContact CZ-CD1 3.24Å; F363-F410 HydrophobicContact CZ-CD1 3.24Å; F363-F410 AromaticContact CZ-CE1 3.47Å; F363-F410 HydrophobicContact CZ-CE1 3.47Å; F363-F410 VanDerWaalsContact CZ-CE1 3.47Å; F363-F410 HydrophobicContact CZ-CG 4.43Å; M364-F410 CarbonylContact O-C 3.15Å; M364-F410 VanDerWaalsContact O-CA 3.29Å; M364-F410 WeakPolarHBondContact O-CA 3.31Å; H365-F410 HydrophobicContact CB-CD1 4.07Å; H365-F410 HydrophobicContact CB-CE1 3.97Å; H365-F410 AromaticContact CD2-CD1 3.96Å; H365-F410 AromaticContact CD2-CE1 3.34Å; H365-F410 WeakPolarHBondContact CD2-CE1 3.42Å; H365-F410 AromaticContact CD2-CE2 3.87Å; H365-F410 AromaticContact CD2-CZ 3.3Å; H365-F410 WeakPolarHBondContact CD2-CZ 3.28Å; H365-F410 AromaticContact CG-CE1 3.88Å; H365-F410 AromaticContact NE2-CZ 3.85Å; F410-L416 HydrophobicContact CB-CD1 4.04Å; F410-L431 HydrophobicContact CE1-CD1 4.25Å; F410-L453 HydrophobicContact CE2-CD1 4.3Å; F410-L453 HydrophobicContact CZ-CD1 3.82Å; F410-L457 HydrophobicContact CB-CD1 4.4Å; F410-L457 HydrophobicContact CB-CD2 4.41Å; F410-L457 HydrophobicContact CD1-CD1 4.05Å; F410-L457 HydrophobicContact CD2-CD1 4.37Å; F410-L457 HydrophobicContact CD2-CD2 3.86Å; F410-L457 HydrophobicContact CE1-CD1 4.39Å; F410-L457 HydrophobicContact CE2-CD2 4.41Å; F410-L457 HydrophobicContact CG-CD1 4Å; F410-L457 HydrophobicContact CG-CD2 4.15Å
411	R	98.6	Very high	97.9	Very high	10 Å²	10	26.8 Å²	26.8	4%	0.038	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.5	175.6	174	-176.1	-178.7	-108.8	11.6	109.9	L85 E88 D354 M364 P413	L85-R411 HydrophobicContact CD1-CB 3.67Å; L85-R411 HydrophobicContact CD1-CG 4.27Å; L85-R411 HydrophobicContact CG-CB 4.27Å; E88-R411 HydrophobicContact CB-CG 4.46Å; E88-R411 IonicContact OE2-CZ 2.66Å; E88-R411 IonicContact OE2-NE 2.83Å; E88-R411 PolarHBondContact OE2-NE 2.85Å; E88-R411 IonicContact OE2-NH2 3.13Å; E88-R411 PolarHBondContact OE2-NH2 2.85Å; D354-R411 IonicContact OD1-CZ 2.65Å; D354-R411 IonicContact OD1-NH1 2.8Å; D354-R411 PolarHBondContact OD1-NH1 3.1Å; D354-R411 IonicContact OD1-NH2 4Å; D354-R411 PolarHBondContact OD1-NH2 2.57Å; D354-R411 VanDerWaalsContact OD1-NH2 3.09Å; D354-R411 IonicContact OD2-NH1 3.15Å; D354-R411 IonicContact OD2-NH2 3.15Å; D354-R411 PolarHBondContact OD2-NH2 3.11Å; M364-R411 HydrophobicContact CB-CB 4.21Å; M364-R411 WeakPolarHBondContact CB-O 3.15Å; M364-R411 PolarHBondContact N-O 3.13Å; M364-R411 PolarHBondContact O-N 3.33Å; R411-P413 HydrophobicContact CG-CG 4.24Å
412	W	98.4	Very high	97.9	Very high	12 Å²	12	27.1 Å²	27.1	5%	0.045	18%	0.176	C	C	.	.			trans	-155.4	87.3	170.8	-174.3	-0.9	0	0	0	109.1	P54 N360 F363 G414 R415 L416 L438 M454	P54-W412 HydrophobicContact CB-CH2 3.65Å; P54-W412 HydrophobicContact CB-CZ2 3.66Å; P54-W412 HydrophobicContact CG-CH2 3.84Å; P54-W412 HydrophobicContact CG-CZ2 4.32Å; N360-W412 PolarHBondContact O-NE1 2.72Å; F363-W412 HydrophobicContact CB-CD2 4.29Å; F363-W412 HydrophobicContact CB-CE3 3.95Å; F363-W412 HydrophobicContact CB-CZ3 4.23Å; F363-W412 HydrophobicContact CD2-CD2 4.48Å; F363-W412 AromaticContact CD2-CE3 3.63Å; F363-W412 HydrophobicContact CD2-CE3 3.63Å; F363-W412 HydrophobicContact CD2-CZ3 4.13Å; F363-W412 HydrophobicContact CG-CE3 4.28Å; W412-G414 PolarHBondContact O-N 2.75Å; W412-G414 VanDerWaalsContact O-N 3.09Å; W412-R415 HydrophobicContact CD2-CB 3.65Å; W412-R415 HydrophobicContact CD2-CG 4.44Å; W412-R415 HydrophobicContact CE3-CB 4Å; W412-R415 HydrophobicContact CE3-CG 4.32Å; W412-R415 HydrophobicContact CG-CB 3.9Å; W412-R415 HydrophobicContact CZ2-CB 4.42Å; W412-R415 VanDerWaalsContact CZ3-CD 3.45Å; W412-R415 PolarHBondContact O-N 3.14Å; W412-L416 HydrophobicContact CB-CB 4.39Å; W412-L416 HydrophobicContact CB-CD1 3.96Å; W412-L416 HydrophobicContact CB-CG 3.95Å; W412-L416 PolarHBondContact O-N 3.12Å; W412-L438 HydrophobicContact CH2-CD2 4.02Å; W412-L438 HydrophobicContact CZ3-CD1 3.92Å; W412-L438 HydrophobicContact CZ3-CD2 3.68Å; W412-L438 HydrophobicContact CZ3-CG 4.45Å; W412-M454 HydrophobicContact CE3-CE 4.36Å; W412-M454 HydrophobicContact CZ3-CE 4.18Å
413	P	97.3	Very high	97.8	Very high	53 Å²	53	31.6 Å²	31.6	34%	0.344	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.7	-170.3	-28.3	37	0	0	0	114.7	A359 R411 R415	A359-P413 WeakPolarHBondContact O-CD 3.45Å; R411-P413 HydrophobicContact CG-CG 4.24Å; P413-R415 VanDerWaalsContact C-N 3.26Å; P413-R415 PolarHBondContact O-N 3.49Å
414	G	95.3	Very high	97.9	Very high	49 Å²	49	33 Å²	33	51%	0.505	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-5.2	177.9	0	0	0	0	0	115.1	W412	W412-G414 PolarHBondContact O-N 2.75Å; W412-G414 VanDerWaalsContact O-N 3.09Å
415	R	96.8	Very high	97.9	Very high	90 Å²	90	32.9 Å²	32.9	34%	0.34	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.3	-39.6	-171.4	-167.5	171.8	179.7	169.3	-2	115.5	W412 P413 E458	W412-R415 HydrophobicContact CD2-CB 3.65Å; W412-R415 HydrophobicContact CD2-CG 4.44Å; W412-R415 HydrophobicContact CE3-CB 4Å; W412-R415 HydrophobicContact CE3-CG 4.32Å; W412-R415 HydrophobicContact CG-CB 3.9Å; W412-R415 HydrophobicContact CZ2-CB 4.42Å; W412-R415 VanDerWaalsContact CZ3-CD 3.45Å; W412-R415 PolarHBondContact O-N 3.14Å; P413-R415 VanDerWaalsContact C-N 3.26Å; P413-R415 PolarHBondContact O-N 3.49Å; R415-E458 IonicContact CZ-OE1 2.72Å; R415-E458 IonicContact NE-OE1 2.69Å; R415-E458 PolarHBondContact NE-OE1 3Å; R415-E458 IonicContact NH2-OE1 2.8Å; R415-E458 PolarHBondContact NH2-OE1 3.27Å
416	L	98	Very high	97.9	Very high	9 Å²	9	32.6 Å²	32.6	5%	0.047	21%	0.205	C	C	.	.	S	Bend	trans	-94.8	139.7	-177.8	-62.5	-179.5	0	0	0	110.6	V90 F410 W412 A418 M454 L457 E458	V90-L416 HydrophobicContact CG2-CB 4.06Å; V90-L416 HydrophobicContact CG2-CD1 4.1Å; V90-L416 HydrophobicContact CG2-CG 4.45Å; F410-L416 HydrophobicContact CB-CD1 4.04Å; W412-L416 HydrophobicContact CB-CB 4.39Å; W412-L416 HydrophobicContact CB-CD1 3.96Å; W412-L416 HydrophobicContact CB-CG 3.95Å; W412-L416 PolarHBondContact O-N 3.12Å; L416-A418 PolarHBondContact O-N 3.01Å; L416-M454 HydrophobicContact CD2-CE 4.22Å; L416-L457 HydrophobicContact CD2-CB 3.7Å; L416-E458 HydrophobicContact CD2-CG 4.13Å
417	A	96.4	Very high	97.9	Very high	61 Å²	61	32.7 Å²	32.7	50%	0.504	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-70.5	127	174.8	0	0	0	0	0	110.3
418	A	97.8	Very high	97.9	Very high	70 Å²	70	32.7 Å²	32.7	58%	0.579	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	144.7	177.1	0	0	0	0	0	111.9	G89 L416 R420	G89-A418 CarbonylContact O-C 3.52Å; L416-A418 PolarHBondContact O-N 3.01Å; A418-R420 VanDerWaalsContact C-N 3.26Å; A418-R420 PolarHBondContact O-N 2.86Å
419	G	97.2	Very high	97.9	Very high	48 Å²	48	32.7 Å²	32.7	50%	0.495	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	11.5	175.9	0	0	0	0	0	114.9	S87 G89	S87-G419 WeakPolarHBondContact O-CA 3.25Å; S87-G419 PolarHBondContact O-N 3.25Å; G89-G419 PolarHBondContact O-N 3.35Å
420	R	97.8	Very high	97.9	Very high	86 Å²	86	32.8 Å²	32.8	33%	0.325	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	140	-180	-177.2	177	178.4	75.6	4.6	110.3	G89 V90 K91 A418 V422	G89-R420 PolarHBondContact O-N 3.17Å; G89-R420 VanDerWaalsContact O-N 3.12Å; V90-R420 CarbonylContact C-O 3.51Å; V90-R420 VanDerWaalsContact CA-O 3.28Å; V90-R420 WeakPolarHBondContact CA-O 3.34Å; V90-R420 HydrophobicContact CB-CB 4.48Å; V90-R420 HydrophobicContact CG1-CB 4.19Å; V90-R420 HydrophobicContact CG1-CG 4.17Å; V90-R420 HydrophobicContact CG2-CB 4.14Å; K91-R420 PolarHBondContact N-O 3.45Å; A418-R420 VanDerWaalsContact C-N 3.26Å; A418-R420 PolarHBondContact O-N 2.86Å; R420-V422 HydrophobicContact CG-CG2 4.39Å
421	V	98.4	Very high	97.9	Very high	67 Å²	67	32.8 Å²	32.8	41%	0.406	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138	171.1	-175.4	0	0	0	0	108.8	K91 T93	K91-V421 CarbonylContact O-C 3.55Å; K91-V421 WeakPolarHBondContact O-CA 3.31Å; T93-V421 HydrophobicContact CG2-CG1 3.59Å
422	V	98.4	Very high	97.9	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.036	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.6	176.7	172.4	0	0	0	0	108.4	V90 K91 L92 T93 R420 E424 L456	V90-V422 HydrophobicContact CG1-CG2 3.75Å; K91-V422 PolarHBondContact O-N 3.18Å; L92-V422 WeakPolarHBondContact CA-O 3.5Å; L92-V422 HydrophobicContact CD2-CB 3.6Å; L92-V422 HydrophobicContact CD2-CG1 3.97Å; L92-V422 HydrophobicContact CD2-CG2 4.18Å; T93-V422 PolarHBondContact N-O 2.98Å; R420-V422 HydrophobicContact CG-CG2 4.39Å; V422-E424 HydrophobicContact CG1-CB 3.99Å; V422-E424 HydrophobicContact CG1-CG 4.43Å; V422-L456 HydrophobicContact CG1-CD1 3.98Å; V422-L456 HydrophobicContact CG1-CD2 3.73Å; V422-L456 HydrophobicContact CG1-CG 3.75Å
423	D	97.1	Very high	97.9	Very high	95 Å²	95	32.5 Å²	32.5	51%	0.508	21%	0.207	S	C	.	.			trans	-101.4	5.1	-176.8	-57.7	-52.7	0	0	0	113.6	T93 Q94	T93-D423 WeakPolarHBondContact CB-OD1 3.48Å; T93-D423 WeakPolarHBondContact CG2-OD1 3.18Å; T93-D423 WeakPolarHBondContact OG1-CA 3.16Å; T93-D423 PolarHBondContact OG1-OD1 3.3Å; Q94-D423 VanDerWaalsContact CG-O 3.26Å; Q94-D423 WeakPolarHBondContact CG-O 3.4Å
424	E	97.9	Very high	98	Very high	29 Å²	29	30 Å²	30	14%	0.136	19%	0.191	C	C	.	.	S	Bend	trans	-75.8	143.3	178.8	-69.8	-66.6	121.5	0	0	111.9	V422 T426 L456 A462 R463 S464 H483	V422-E424 HydrophobicContact CG1-CB 3.99Å; V422-E424 HydrophobicContact CG1-CG 4.43Å; E424-T426 PolarHBondContact O-N 2.02Å; E424-L456 HydrophobicContact CB-CD1 4.27Å; E424-L456 HydrophobicContact CB-CD2 4.1Å; E424-L456 HydrophobicContact CG-CD1 4.05Å; E424-A462 WeakPolarHBondContact CG-O 3.05Å; E424-R463 VanDerWaalsContact OE2-CA 3.27Å; E424-R463 WeakPolarHBondContact OE2-CA 3.2Å; E424-R463 WeakPolarHBondContact OE2-CG 3.46Å; E424-S464 PolarHBondContact OE2-N 3.03Å; E424-H483 IonicContact OE1-NE2 3.23Å; E424-H483 IonicContact OE2-CD2 2.66Å; E424-H483 IonicContact OE2-NE2 3.74Å
425	P	98.2	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.167	C	C	.	.			trans	-63.2	124.7	176.9	26	-32.2	0	0	0	110.5	S464 H466 M469 H483	P425-S464 WeakPolarHBondContact O-CB 3.44Å; P425-S464 PolarHBondContact O-OG 3.26Å; P425-H466 HydrophobicContact CG-CB 4.42Å; P425-H466 PolarHBondContact O-CD2 2.67Å; P425-M469 HydrophobicContact CB-SD 3.84Å; P425-H483 HydrophobicContact CG-CB 4.12Å
426	T	98.8	Very high	98.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	161	-177.8	46.1	0	0	0	0	109.4	L92 Q94 Y95 I96 E424 L453 L456	L92-T426 HydrophobicContact CD1-CG2 4.28Å; L92-T426 WeakPolarHBondContact CD1-OG1 3.28Å; Q94-T426 PolarHBondContact O-N 3.3Å; Q94-T426 PolarHBondContact O-OG1 3.14Å; Q94-T426 VanDerWaalsContact O-OG1 3.1Å; Y95-T426 WeakPolarHBondContact CD2-OG1 3.29Å; I96-T426 WeakPolarHBondContact CB-O 2.84Å; I96-T426 WeakPolarHBondContact CG1-O 3.38Å; I96-T426 PolarHBondContact N-O 3.31Å; E424-T426 PolarHBondContact O-N 2.02Å; T426-L453 HydrophobicContact CG2-CD2 3.63Å; T426-L456 HydrophobicContact CG2-CD2 3.64Å
427	S	98.8	Very high	98.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.6	-175	-171.5	0	0	0	0	113.4	Y95 I96 M429 D430	Y95-S427 WeakPolarHBondContact CE2-O 3.16Å; I96-S427 CarbonylContact O-C 3.6Å; I96-S427 WeakPolarHBondContact O-CA 3.44Å; I96-S427 PolarHBondContact O-OG 3.03Å; I96-S427 VanDerWaalsContact O-OG 3.09Å; S427-M429 PolarHBondContact O-N 2.81Å; S427-M429 VanDerWaalsContact O-N 3.12Å; S427-M429 PolarHBondContact OG-N 2.65Å; S427-D430 PolarHBondContact N-OD2 3.22Å; S427-D430 WeakPolarHBondContact O-CB 3.39Å; S427-D430 VanDerWaalsContact O-CG 3.27Å; S427-D430 PolarHBondContact O-N 3.05Å
428	L	98.7	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-53.1	-30.5	165.5	-66.8	-178	0	0	0	112.7	M60 Y95 I96 A97 S105 L109 T367 V406 D430 L431	M60-L428 HydrophobicContact CE-CD1 4.46Å; Y95-L428 HydrophobicContact CD1-CD2 4Å; Y95-L428 HydrophobicContact CE1-CD2 3.31Å; Y95-L428 HydrophobicContact CE1-CG 4.44Å; Y95-L428 HydrophobicContact CE2-CD2 4.46Å; I96-L428 PolarHBondContact O-N 3.43Å; A97-L428 HydrophobicContact CB-CD1 3.66Å; A97-L428 HydrophobicContact CB-CG 4.37Å; S105-L428 WeakPolarHBondContact OG-CD1 3.21Å; L109-L428 HydrophobicContact CB-CB 4.47Å; L109-L428 HydrophobicContact CD1-CB 3.83Å; L109-L428 HydrophobicContact CD1-CD2 4.05Å; L109-L428 HydrophobicContact CD1-CG 4.39Å; T367-L428 HydrophobicContact CG2-CD2 3.97Å; T367-L428 VanDerWaalsContact OG1-CD2 3.28Å; T367-L428 WeakPolarHBondContact OG1-CD2 3.24Å; V406-L428 HydrophobicContact CG2-CD2 4.21Å; V406-L428 HydrophobicContact CG2-CG 4.47Å; L428-D430 PolarHBondContact O-N 3.43Å; L428-L431 WeakPolarHBondContact O-CB 3.45Å; L428-L431 PolarHBondContact O-N 3.4Å
429	M	98.8	Very high	98.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-64.1	-22.3	177.1	-62.9	-176	-60.2	0	0	112.8	A98 A108 G112 Y114 S427 L431 Y432 P433 D449	A98-M429 HydrophobicContact CB-CE 4.24Å; A98-M429 HydrophobicContact CB-CG 3.88Å; A98-M429 HydrophobicContact CB-SD 3.74Å; A108-M429 HydrophobicContact CB-CG 3.97Å; A108-M429 HydrophobicContact CB-SD 4.28Å; G112-M429 WeakPolarHBondContact CA-O 3.29Å; Y114-M429 HydrophobicContact CD1-CE 4.18Å; Y114-M429 HydrophobicContact CD1-SD 4.13Å; Y114-M429 HydrophobicContact CD2-CE 4.46Å; Y114-M429 HydrophobicContact CE1-CE 3.78Å; Y114-M429 HydrophobicContact CE1-SD 4.33Å; Y114-M429 HydrophobicContact CE2-CE 4.09Å; Y114-M429 HydrophobicContact CG-CE 4.5Å; Y114-M429 HydrophobicContact CG-SD 4.26Å; S427-M429 PolarHBondContact O-N 2.81Å; S427-M429 VanDerWaalsContact O-N 3.12Å; S427-M429 PolarHBondContact OG-N 2.65Å; M429-L431 PolarHBondContact O-N 3.25Å; M429-Y432 PolarHBondContact O-N 3.28Å; M429-P433 WeakPolarHBondContact O-CD 3.03Å; M429-D449 HydrophobicContact CE-CB 3.76Å; M429-D449 HydrophobicContact SD-CB 3.9Å
430	D	98.9	Very high	98.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-70.2	-19.2	-178.2	-62.2	-17.8	0	0	0	112.6	S427 L428 Y432 P433 T434 G450 Y451 L453 H466	S427-D430 PolarHBondContact N-OD2 3.22Å; S427-D430 WeakPolarHBondContact O-CB 3.39Å; S427-D430 VanDerWaalsContact O-CG 3.27Å; S427-D430 PolarHBondContact O-N 3.05Å; L428-D430 PolarHBondContact O-N 3.43Å; D430-Y432 VanDerWaalsContact C-N 3.3Å; D430-Y432 PolarHBondContact O-N 2.88Å; D430-P433 VanDerWaalsContact O-CD 3.28Å; D430-P433 WeakPolarHBondContact O-CD 3.43Å; D430-P433 WeakPolarHBondContact O-CG 3.38Å; D430-T434 VanDerWaalsContact O-CB 3.25Å; D430-T434 WeakPolarHBondContact O-CB 3.37Å; D430-T434 PolarHBondContact O-N 3.46Å; D430-T434 VanDerWaalsContact O-N 3.11Å; D430-T434 PolarHBondContact O-OG1 2.77Å; D430-G450 WeakPolarHBondContact OD1-CA 3.38Å; D430-Y451 WeakPolarHBondContact CA-O 3.49Å; D430-Y451 WeakPolarHBondContact CB-O 3.34Å; D430-Y451 PolarHBondContact OD1-N 3.29Å; D430-L453 HydrophobicContact CB-CD1 3.77Å; D430-L453 HydrophobicContact CB-CD2 3.76Å; D430-L453 HydrophobicContact CB-CG 3.58Å; D430-L453 WeakPolarHBondContact OD2-CD2 3.28Å; D430-H466 IonicContact OD1-CD2 3.83Å; D430-H466 IonicContact OD1-CE1 3.59Å; D430-H466 PolarHBondContact OD1-CE1 3.09Å; D430-H466 IonicContact OD1-NE2 3.19Å; D430-H466 PolarHBondContact OD1-NE2 3.35Å; D430-H466 IonicContact OD2-CD2 3.83Å; D430-H466 PolarHBondContact OD2-CD2 3.44Å; D430-H466 IonicContact OD2-NE2 2.77Å; D430-H466 PolarHBondContact OD2-NE2 3.17Å
431	L	98.6	Very high	98.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-38.5	177.9	-168	61.7	0	0	0	111.5	L58 L109 F363 F410 L428 M429 T434 L435	L58-L431 HydrophobicContact CD1-CD2 3.96Å; L58-L431 HydrophobicContact CD2-CD1 4.11Å; L58-L431 HydrophobicContact CD2-CD2 4.17Å; L109-L431 HydrophobicContact CD1-CB 4.38Å; L109-L431 HydrophobicContact CD1-CD2 3.79Å; L109-L431 HydrophobicContact CG-CD2 4.39Å; F363-L431 HydrophobicContact CE1-CD1 4.06Å; F410-L431 HydrophobicContact CE1-CD1 4.25Å; L428-L431 WeakPolarHBondContact O-CB 3.45Å; L428-L431 PolarHBondContact O-N 3.4Å; M429-L431 PolarHBondContact O-N 3.25Å; L431-T434 PolarHBondContact O-N 2.82Å; L431-L435 HydrophobicContact CD1-CD1 4.34Å; L431-L435 HydrophobicContact CD1-CG 4.23Å; L431-L435 HydrophobicContact CG-CD1 3.93Å; L431-L435 HydrophobicContact CG-CG 4.25Å; L431-L435 WeakPolarHBondContact O-CB 3.4Å; L431-L435 WeakPolarHBondContact O-CG 3.33Å; L431-L435 PolarHBondContact O-N 3.04Å
432	Y	98.8	Very high	98	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-57.7	-60.4	178.2	-179.2	-75.2	0	0	0	113.1	M110 T143 F145 R148 M429 D430 T434 L435 K436 D445 L448	M110-Y432 VanDerWaalsContact O-CD2 3.31Å; M110-Y432 WeakPolarHBondContact O-CD2 3Å; T143-Y432 WeakPolarHBondContact O-CE2 3.11Å; F145-Y432 HydrophobicContact CB-CD2 3.69Å; F145-Y432 HydrophobicContact CB-CE2 4.28Å; F145-Y432 HydrophobicContact CB-CG 4.27Å; F145-Y432 VanDerWaalsContact N-CD2 3.32Å; F145-Y432 VanDerWaalsContact N-CE2 3.27Å; R148-Y432 HydrophobicContact CG-CE2 4.31Å; R148-Y432 VanDerWaalsContact CG-OH 3.25Å; R148-Y432 WeakPolarHBondContact CG-OH 3.16Å; R148-Y432 PolarHBondContact NE-OH 2.79Å; R148-Y432 VanDerWaalsContact NE-OH 3.09Å; M429-Y432 PolarHBondContact O-N 3.28Å; D430-Y432 VanDerWaalsContact C-N 3.3Å; D430-Y432 PolarHBondContact O-N 2.88Å; Y432-T434 VanDerWaalsContact C-N 3.27Å; Y432-T434 PolarHBondContact O-N 2.84Å; Y432-L435 PolarHBondContact O-N 2.79Å; Y432-K436 WeakPolarHBondContact O-CB 3.21Å; Y432-K436 PolarHBondContact O-N 3.06Å; Y432-D445 PolarHBondContact OH-OD1 3.42Å; Y432-L448 HydrophobicContact CD1-CD1 3.72Å; Y432-L448 HydrophobicContact CD1-CD2 3.93Å; Y432-L448 HydrophobicContact CD1-CG 4.49Å; Y432-L448 HydrophobicContact CE1-CD1 3.77Å; Y432-L448 HydrophobicContact CE1-CD2 3.82Å; Y432-L448 HydrophobicContact CE1-CG 4.46Å
433	P	98.7	Very high	97.8	Very high	15 Å²	15	31.5 Å²	31.5	10%	0.097	16%	0.155	C	C	.	.	H	α-helix	trans	-66.6	-28.5	179.7	26.9	-36.6	0	0	0	112.7	M429 D430 Y437 L448 Y451	M429-P433 WeakPolarHBondContact O-CD 3.03Å; D430-P433 VanDerWaalsContact O-CD 3.28Å; D430-P433 WeakPolarHBondContact O-CD 3.43Å; D430-P433 WeakPolarHBondContact O-CG 3.38Å; P433-Y437 WeakPolarHBondContact O-CB 3.21Å; P433-Y437 PolarHBondContact O-N 3.32Å; P433-L448 HydrophobicContact CB-CD1 4.22Å; P433-Y451 VanDerWaalsContact CG-C 3.41Å; P433-Y451 WeakPolarHBondContact CG-O 3.26Å
434	T	98.8	Very high	97.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-48.8	173.9	-58.3	0	0	0	0	111.3	F363 D430 L431 Y432 Y437 L438 L453 M454	F363-T434 HydrophobicContact CZ-CG2 4.14Å; D430-T434 VanDerWaalsContact O-CB 3.25Å; D430-T434 WeakPolarHBondContact O-CB 3.37Å; D430-T434 PolarHBondContact O-N 3.46Å; D430-T434 VanDerWaalsContact O-N 3.11Å; D430-T434 PolarHBondContact O-OG1 2.77Å; L431-T434 PolarHBondContact O-N 2.82Å; Y432-T434 VanDerWaalsContact C-N 3.27Å; Y432-T434 PolarHBondContact O-N 2.84Å; T434-Y437 PolarHBondContact O-N 3.19Å; T434-L438 HydrophobicContact CG2-CD1 4.26Å; T434-L438 WeakPolarHBondContact O-CG 3.02Å; T434-L438 PolarHBondContact O-N 2.04Å; T434-L453 HydrophobicContact CG2-CB 4.38Å; T434-L453 PolarHBondContact OG1-N 3.07Å; T434-M454 HydrophobicContact CG2-CG 3.98Å; T434-M454 HydrophobicContact CG2-SD 4.08Å
435	L	98.7	Very high	97.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.6	-40.3	177.1	-67.4	175.2	0	0	0	111.8	F56 L58 F145 L149 F363 L431 Y432 Y437 L438 A439	F56-L435 HydrophobicContact CB-CD2 4.27Å; F56-L435 HydrophobicContact CD1-CD2 3.23Å; F56-L435 HydrophobicContact CD2-CD2 4.16Å; F56-L435 HydrophobicContact CE1-CD2 3.44Å; F56-L435 VanDerWaalsContact CE1-CD2 3.44Å; F56-L435 HydrophobicContact CE2-CD2 4.29Å; F56-L435 HydrophobicContact CG-CD2 3.63Å; F56-L435 HydrophobicContact CZ-CD2 3.97Å; L58-L435 HydrophobicContact CD1-CD1 3.78Å; L58-L435 HydrophobicContact CD2-CD2 4.44Å; F145-L435 HydrophobicContact CB-CD1 3.99Å; F145-L435 HydrophobicContact CD1-CD1 4.4Å; F145-L435 HydrophobicContact CD2-CD1 3.67Å; F145-L435 HydrophobicContact CE2-CD1 4.26Å; F145-L435 HydrophobicContact CG-CD1 3.78Å; L149-L435 HydrophobicContact CD1-CB 4.32Å; L149-L435 HydrophobicContact CD1-CD1 4.28Å; F363-L435 HydrophobicContact CD1-CD2 4.3Å; F363-L435 HydrophobicContact CE1-CD2 4.33Å; L431-L435 HydrophobicContact CD1-CD1 4.34Å; L431-L435 HydrophobicContact CD1-CG 4.23Å; L431-L435 HydrophobicContact CG-CD1 3.93Å; L431-L435 HydrophobicContact CG-CG 4.25Å; L431-L435 WeakPolarHBondContact O-CB 3.4Å; L431-L435 WeakPolarHBondContact O-CG 3.33Å; L431-L435 PolarHBondContact O-N 3.04Å; Y432-L435 PolarHBondContact O-N 2.79Å; L435-Y437 VanDerWaalsContact C-N 3.34Å; L435-Y437 PolarHBondContact O-N 2.71Å; L435-L438 PolarHBondContact O-N 3.4Å; L435-A439 VanDerWaalsContact O-CB 3.31Å; L435-A439 WeakPolarHBondContact O-CB 3.47Å; L435-A439 PolarHBondContact O-N 3.39Å
436	K	97.9	Very high	97.2	Very high	32 Å²	32	38.1 Å²	38.1	14%	0.139	19%	0.191	C	C	.	.	H	α-helix	trans	-55.8	-49	173.6	-173.1	-167.9	178.7	73	0	111.4	Y432 A439 K440 D441 H443 D445	Y432-K436 WeakPolarHBondContact O-CB 3.21Å; Y432-K436 PolarHBondContact O-N 3.06Å; K436-A439 PolarHBondContact O-N 3.03Å; K436-K440 PolarHBondContact O-N 2.81Å; K436-D441 VanDerWaalsContact CE-O 3.23Å; K436-D441 WeakPolarHBondContact CE-O 3.08Å; K436-D441 HydrophobicContact CG-CB 3.71Å; K436-D441 IonicContact NZ-OD2 2.71Å; K436-D441 PolarHBondContact NZ-OD2 3.17Å; K436-D441 PolarHBondContact O-N 2.89Å; K436-H443 WeakPolarHBondContact CE-O 3.46Å; K436-H443 PolarHBondContact NZ-O 3.08Å; K436-D445 WeakPolarHBondContact CD-OD2 3.37Å; K436-D445 WeakPolarHBondContact CE-OD2 3.07Å; K436-D445 IonicContact NZ-OD2 3.7Å; K436-D445 PolarHBondContact NZ-OD2 3.12Å
437	Y	97.7	Very high	96.9	Very high	114 Å²	114	42.8 Å²	42.8	45%	0.447	21%	0.212	S	C	.	.	H	α-helix	trans	-60.8	-48.3	177.4	170.7	-102.7	0	0	0	112	P433 T434 L435 A439 K440 N452 M454	P433-Y437 WeakPolarHBondContact O-CB 3.21Å; P433-Y437 PolarHBondContact O-N 3.32Å; T434-Y437 PolarHBondContact O-N 3.19Å; L435-Y437 VanDerWaalsContact C-N 3.34Å; L435-Y437 PolarHBondContact O-N 2.71Å; Y437-A439 VanDerWaalsContact C-N 3.28Å; Y437-A439 PolarHBondContact O-N 3.35Å; Y437-K440 PolarHBondContact O-N 3.49Å; Y437-N452 VanDerWaalsContact CD1-ND2 3.33Å; Y437-N452 WeakPolarHBondContact CD1-ND2 3.27Å; Y437-M454 HydrophobicContact CD1-CB 4.06Å; Y437-M454 HydrophobicContact CD1-CG 3.74Å; Y437-M454 HydrophobicContact CE1-CB 3.84Å; Y437-M454 HydrophobicContact CE1-CG 3.89Å
438	L	97.9	Very high	96.8	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-30.6	-180	-70.4	175.8	0	0	0	113.2	P54 F56 F363 W412 T434 L435 K440 M454	P54-L438 HydrophobicContact CG-CB 4.35Å; F56-L438 HydrophobicContact CE1-CB 3.88Å; F56-L438 HydrophobicContact CE1-CD1 3.76Å; F56-L438 HydrophobicContact CE1-CG 4.49Å; F56-L438 HydrophobicContact CZ-CB 3.72Å; F56-L438 HydrophobicContact CZ-CD1 4.46Å; F363-L438 HydrophobicContact CD2-CD1 4.11Å; F363-L438 HydrophobicContact CE2-CD1 4.29Å; F363-L438 HydrophobicContact CG-CD1 4.2Å; W412-L438 HydrophobicContact CH2-CD2 4.02Å; W412-L438 HydrophobicContact CZ3-CD1 3.92Å; W412-L438 HydrophobicContact CZ3-CD2 3.68Å; W412-L438 HydrophobicContact CZ3-CG 4.45Å; T434-L438 HydrophobicContact CG2-CD1 4.26Å; T434-L438 WeakPolarHBondContact O-CG 3.02Å; T434-L438 PolarHBondContact O-N 2.04Å; L435-L438 PolarHBondContact O-N 3.4Å; L438-K440 PolarHBondContact O-N 2.99Å; L438-M454 HydrophobicContact CD1-CG 4.3Å; L438-M454 HydrophobicContact CD1-SD 3.85Å; L438-M454 HydrophobicContact CD2-CE 4.12Å; L438-M454 HydrophobicContact CD2-CG 3.81Å; L438-M454 HydrophobicContact CD2-SD 3.92Å; L438-M454 HydrophobicContact CG-CG 4.02Å; L438-M454 HydrophobicContact CG-SD 4.17Å
439	A	97.1	Very high	96.8	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.017	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.3	173.5	0	0	0	0	0	114	L149 Q152 Y154 L435 K436 Y437 D441	L149-A439 HydrophobicContact CD2-CB 3.32Å; Q152-A439 HydrophobicContact CG-CB 4.31Å; Y154-A439 HydrophobicContact CE2-CB 3.89Å; L435-A439 VanDerWaalsContact O-CB 3.31Å; L435-A439 WeakPolarHBondContact O-CB 3.47Å; L435-A439 PolarHBondContact O-N 3.39Å; K436-A439 PolarHBondContact O-N 3.03Å; Y437-A439 VanDerWaalsContact C-N 3.28Å; Y437-A439 PolarHBondContact O-N 3.35Å; A439-D441 PolarHBondContact O-N 3.34Å
440	K	96.3	Very high	96.8	Very high	124 Å²	124	45.8 Å²	45.8	54%	0.539	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	32.8	-175.5	-54.7	177.2	178.9	176.9	0	112.5	D51 K436 Y437 L438 T442	D51-K440 WeakPolarHBondContact OD2-CE 3.44Å; D51-K440 IonicContact OD2-NZ 3.76Å; D51-K440 PolarHBondContact OD2-NZ 3.21Å; K436-K440 PolarHBondContact O-N 2.81Å; Y437-K440 PolarHBondContact O-N 3.49Å; L438-K440 PolarHBondContact O-N 2.99Å; K440-T442 PolarHBondContact O-N 3.03Å
441	D	96.6	Very high	96.7	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.053	25%	0.246	C	C	.	.			trans	-78.5	116.6	178.4	176.4	33.4	0	0	0	111.1	R148 Q152 K436 A439 H443	R148-D441 WeakPolarHBondContact CD-OD2 3.41Å; Q152-D441 HydrophobicContact CG-CB 3.85Å; Q152-D441 PolarHBondContact NE2-OD1 3.5Å; K436-D441 VanDerWaalsContact CE-O 3.23Å; K436-D441 WeakPolarHBondContact CE-O 3.08Å; K436-D441 HydrophobicContact CG-CB 3.71Å; K436-D441 IonicContact NZ-OD2 2.71Å; K436-D441 PolarHBondContact NZ-OD2 3.17Å; K436-D441 PolarHBondContact O-N 2.89Å; A439-D441 PolarHBondContact O-N 3.34Å; D441-H443 WeakPolarHBondContact OD1-CB 3.03Å; D441-H443 IonicContact OD1-CE1 3.45Å; D441-H443 IonicContact OD1-CG 2.64Å; D441-H443 PolarHBondContact OD1-N 3.28Å; D441-H443 VanDerWaalsContact OD1-N 3.12Å; D441-H443 IonicContact OD1-ND1 3.85Å; D441-H443 PolarHBondContact OD1-ND1 3.49Å
442	T	95.3	Very high	96.7	Very high	132 Å²	132	52.2 Å²	52.2	81%	0.81	26%	0.257	S	S	*	.			trans	-101.7	0.8	-179.4	57.2	0	0	0	0	113.7	K440	K440-T442 PolarHBondContact O-N 3.03Å
443	H	95.4	Very high	96.7	Very high	93 Å²	93	52.4 Å²	52.4	43%	0.431	26%	0.258	S	S	.	.			trans	-61.2	142.3	-179.8	-68.7	88.9	0	0	0	110.9	K436 D441	K436-H443 WeakPolarHBondContact CE-O 3.46Å; K436-H443 PolarHBondContact NZ-O 3.08Å; D441-H443 WeakPolarHBondContact OD1-CB 3.03Å; D441-H443 IonicContact OD1-CE1 3.45Å; D441-H443 IonicContact OD1-CG 2.64Å; D441-H443 PolarHBondContact OD1-N 3.28Å; D441-H443 VanDerWaalsContact OD1-N 3.12Å; D441-H443 IonicContact OD1-ND1 3.85Å; D441-H443 PolarHBondContact OD1-ND1 3.49Å
444	P	94.4	Very high	96.7	Very high	117 Å²	117	51.7 Å²	51.7	76%	0.76	25%	0.254	S	S	*	.			trans	-66.9	147.1	177.6	28.1	-34.5	0	0	0	111.2	R148	R148-P444 PolarHBondContact NH2-O 3.04Å
445	D	93.1	Very high	96.7	Very high	48 Å²	48	53.9 Å²	53.9	26%	0.257	27%	0.268	S	S	.	.			trans	-114.3	160.6	172.8	-79.7	-66.3	0	0	0	110.3	R148 Y432 K436 L448	R148-D445 IonicContact CZ-OD1 2.77Å; R148-D445 VanDerWaalsContact CZ-OD1 3.29Å; R148-D445 IonicContact NE-OD1 2.99Å; R148-D445 PolarHBondContact NE-OD1 2.63Å; R148-D445 VanDerWaalsContact NE-OD1 3.15Å; R148-D445 IonicContact NE-OD2 3.18Å; R148-D445 IonicContact NH2-OD1 3.9Å; R148-D445 PolarHBondContact NH2-OD1 3.46Å; R148-D445 IonicContact NH2-OD2 3.29Å; Y432-D445 PolarHBondContact OH-OD1 3.42Å; K436-D445 WeakPolarHBondContact CD-OD2 3.37Å; K436-D445 WeakPolarHBondContact CE-OD2 3.07Å; K436-D445 IonicContact NZ-OD2 3.7Å; K436-D445 PolarHBondContact NZ-OD2 3.12Å; D445-L448 HydrophobicContact CB-CD1 4.3Å; D445-L448 HydrophobicContact CB-CD2 4.28Å; D445-L448 HydrophobicContact CB-CG 4.18Å
446	R	92.2	Very high	96.6	Very high	99 Å²	99	54.3 Å²	54.3	37%	0.374	27%	0.27	S	S	.	.	S	Bend	trans	-65.3	164.9	158.1	-66.9	179.5	-67.4	150.2	17.3	108.3	E142 L448	E142-R446 IonicContact OE1-CZ 2.94Å; E142-R446 VanDerWaalsContact OE1-CZ 3.23Å; E142-R446 IonicContact OE1-NH1 2.74Å; E142-R446 PolarHBondContact OE1-NH1 3.1Å; E142-R446 IonicContact OE1-NH2 3.27Å; E142-R446 PolarHBondContact OE1-NH2 3.32Å; E142-R446 IonicContact OE2-CZ 3.98Å; E142-R446 IonicContact OE2-NH2 3.09Å; E142-R446 PolarHBondContact OE2-NH2 3.33Å; R446-L448 PolarHBondContact O-N 2.8Å
447	Q	92.8	Very high	96.7	Very high	97 Å²	97	52.8 Å²	52.8	45%	0.453	26%	0.263	S	S	.	.			trans	-45.1	117.4	178.9	-179.3	177.3	13.3	0	0	112.4	R113	R113-Q447 WeakPolarHBondContact CG-O 3.41Å; R113-Q447 PolarHBondContact NH1-O 2.86Å
448	L	96.9	Very high	96.7	Very high	45 Å²	45	49.3 Å²	49.3	24%	0.236	25%	0.252	C	S	.	.			trans	-89.6	150.4	171.7	-59.3	177.7	0	0	0	109	R113 Y432 P433 D445 R446	R113-L448 HydrophobicContact CG-CD2 4.15Å; Y432-L448 HydrophobicContact CD1-CD1 3.72Å; Y432-L448 HydrophobicContact CD1-CD2 3.93Å; Y432-L448 HydrophobicContact CD1-CG 4.49Å; Y432-L448 HydrophobicContact CE1-CD1 3.77Å; Y432-L448 HydrophobicContact CE1-CD2 3.82Å; Y432-L448 HydrophobicContact CE1-CG 4.46Å; P433-L448 HydrophobicContact CB-CD1 4.22Å; D445-L448 HydrophobicContact CB-CD1 4.3Å; D445-L448 HydrophobicContact CB-CD2 4.28Å; D445-L448 HydrophobicContact CB-CG 4.18Å; R446-L448 PolarHBondContact O-N 2.8Å
449	D	98.1	Very high	96.6	Very high	16 Å²	16	50.5 Å²	50.5	9%	0.086	27%	0.266	C	S	.	.	S	Bend	trans	-103.7	-16.5	171.5	-57.3	-70.6	0	0	0	111.5	G112 R113 Y114 R117 M429 H466	G112-D449 PolarHBondContact O-N 2.77Å; R113-D449 VanDerWaalsContact CA-OD2 3.28Å; R113-D449 WeakPolarHBondContact CA-OD2 3.06Å; Y114-D449 HydrophobicContact CD2-CB 3.78Å; Y114-D449 WeakPolarHBondContact CD2-OD1 3.35Å; Y114-D449 WeakPolarHBondContact CD2-OD2 3.38Å; Y114-D449 HydrophobicContact CE2-CB 3.87Å; Y114-D449 PolarHBondContact N-OD2 2.79Å; R117-D449 VanDerWaalsContact CD-OD2 3.23Å; R117-D449 WeakPolarHBondContact CD-OD2 3.25Å; R117-D449 IonicContact CZ-OD1 3.6Å; R117-D449 VanDerWaalsContact CZ-OD1 3.31Å; R117-D449 IonicContact CZ-OD2 3.57Å; R117-D449 VanDerWaalsContact NE-CG 3.29Å; R117-D449 IonicContact NE-OD1 3.2Å; R117-D449 PolarHBondContact NE-OD1 2.75Å; R117-D449 IonicContact NE-OD2 2.76Å; R117-D449 PolarHBondContact NE-OD2 2.87Å; R117-D449 IonicContact NH2-OD1 2.72Å; R117-D449 PolarHBondContact NH2-OD1 3.1Å; R117-D449 IonicContact NH2-OD2 3.76Å; M429-D449 HydrophobicContact CE-CB 3.76Å; M429-D449 HydrophobicContact SD-CB 3.9Å; D449-H466 PolarHBondContact O-CE1 3.27Å
450	G	98.1	Very high	96.7	Very high	5 Å²	5	57.9 Å²	57.9	5%	0.052	30%	0.298	C	S	.	.			trans	-85.7	160.7	171.3	0	0	0	0	0	113.5	G112 D430	G112-G450 PolarHBondContact O-N 3.23Å; D430-G450 WeakPolarHBondContact OD1-CA 3.38Å
451	Y	98.3	Very high	96.7	Very high	93 Å²	93	53.4 Å²	53.4	37%	0.365	28%	0.284	S	S	.	.			trans	-124.1	158.6	178.2	-59.9	-77.7	0	0	0	112.6	D430 P433 L453 E465 H466	D430-Y451 WeakPolarHBondContact CA-O 3.49Å; D430-Y451 WeakPolarHBondContact CB-O 3.34Å; D430-Y451 PolarHBondContact OD1-N 3.29Å; P433-Y451 VanDerWaalsContact CG-C 3.41Å; P433-Y451 WeakPolarHBondContact CG-O 3.26Å; Y451-L453 PolarHBondContact O-N 3.08Å; Y451-E465 HydrophobicContact CD1-CB 3.71Å; Y451-E465 HydrophobicContact CD1-CG 4.4Å; Y451-E465 WeakPolarHBondContact CD1-OE2 3.25Å; Y451-E465 HydrophobicContact CD2-CB 3.76Å; Y451-E465 HydrophobicContact CE1-CB 4.04Å; Y451-E465 HydrophobicContact CE2-CB 4.11Å; Y451-E465 HydrophobicContact CG-CB 3.55Å; Y451-E465 HydrophobicContact CG-CG 4.41Å; Y451-H466 AromaticContact CD2-CD2 3.97Å; Y451-H466 AromaticContact CD2-CE1 3.37Å; Y451-H466 WeakPolarHBondContact CD2-CE1 3.39Å; Y451-H466 AromaticContact CD2-CG 4Å; Y451-H466 AromaticContact CD2-ND1 3.66Å; Y451-H466 AromaticContact CD2-NE2 3.59Å; Y451-H466 AromaticContact CE2-CE1 3.61Å; Y451-H466 AromaticContact CE2-ND1 3.54Å
452	N	98.3	Very high	96.6	Very high	43 Å²	43	57.3 Å²	57.3	23%	0.23	32%	0.317	C	S	.	.			trans	-71	118.5	178	174.8	19.4	0	0	0	111	Y437 M454 P455	Y437-N452 VanDerWaalsContact CD1-ND2 3.33Å; Y437-N452 WeakPolarHBondContact CD1-ND2 3.27Å; N452-M454 WeakPolarHBondContact OD1-CB 3.29Å; N452-M454 PolarHBondContact OD1-N 3.28Å; N452-P455 WeakPolarHBondContact O-CD 3.44Å
453	L	98.4	Very high	96.6	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.026	29%	0.293	C	S	.	.			trans	-79.4	-15.6	-178.7	-64	178.7	0	0	0	114	F410 T426 D430 T434 Y451 L456 L457	F410-L453 HydrophobicContact CE2-CD1 4.3Å; F410-L453 HydrophobicContact CZ-CD1 3.82Å; T426-L453 HydrophobicContact CG2-CD2 3.63Å; D430-L453 HydrophobicContact CB-CD1 3.77Å; D430-L453 HydrophobicContact CB-CD2 3.76Å; D430-L453 HydrophobicContact CB-CG 3.58Å; D430-L453 WeakPolarHBondContact OD2-CD2 3.28Å; T434-L453 HydrophobicContact CG2-CB 4.38Å; T434-L453 PolarHBondContact OG1-N 3.07Å; Y451-L453 PolarHBondContact O-N 3.08Å; L453-L456 HydrophobicContact CD2-CD2 4.48Å; L453-L456 WeakPolarHBondContact O-CA 3.13Å; L453-L456 WeakPolarHBondContact O-CB 3.35Å; L453-L456 PolarHBondContact O-N 2.85Å; L453-L457 HydrophobicContact CB-CD1 3.81Å; L453-L457 HydrophobicContact CB-CG 3.94Å; L453-L457 WeakPolarHBondContact O-CG 3.29Å; L453-L457 PolarHBondContact O-N 3.39Å
454	M	98.3	Very high	96.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-55.1	-44.3	-171.5	-71.4	-52	-59.3	0	0	114.2	F363 W412 L416 T434 Y437 L438 N452 L456 L457 E458	F363-M454 HydrophobicContact CE2-SD 4.1Å; W412-M454 HydrophobicContact CE3-CE 4.36Å; W412-M454 HydrophobicContact CZ3-CE 4.18Å; L416-M454 HydrophobicContact CD2-CE 4.22Å; T434-M454 HydrophobicContact CG2-CG 3.98Å; T434-M454 HydrophobicContact CG2-SD 4.08Å; Y437-M454 HydrophobicContact CD1-CB 4.06Å; Y437-M454 HydrophobicContact CD1-CG 3.74Å; Y437-M454 HydrophobicContact CE1-CB 3.84Å; Y437-M454 HydrophobicContact CE1-CG 3.89Å; L438-M454 HydrophobicContact CD1-CG 4.3Å; L438-M454 HydrophobicContact CD1-SD 3.85Å; L438-M454 HydrophobicContact CD2-CE 4.12Å; L438-M454 HydrophobicContact CD2-CG 3.81Å; L438-M454 HydrophobicContact CD2-SD 3.92Å; L438-M454 HydrophobicContact CG-CG 4.02Å; L438-M454 HydrophobicContact CG-SD 4.17Å; N452-M454 WeakPolarHBondContact OD1-CB 3.29Å; N452-M454 PolarHBondContact OD1-N 3.28Å; M454-L456 VanDerWaalsContact C-N 3.26Å; M454-L456 PolarHBondContact O-N 3.1Å; M454-L457 PolarHBondContact O-N 2.77Å; M454-L457 HydrophobicContact SD-CD1 4.32Å; M454-E458 HydrophobicContact CE-CG 3.95Å; M454-E458 VanDerWaalsContact O-CB 3.28Å; M454-E458 WeakPolarHBondContact O-CB 3.4Å; M454-E458 VanDerWaalsContact O-CG 3.23Å; M454-E458 WeakPolarHBondContact O-CG 3.27Å; M454-E458 PolarHBondContact O-N 3.34Å
455	P	98.4	Very high	96.7	Very high	47 Å²	47	51.9 Å²	51.9	31%	0.305	27%	0.271	S	S	.	.	H	α-helix	trans	-57.4	-38.8	175.6	-25.3	35.9	0	0	0	113.2	N452 G459 K460 A461	N452-P455 WeakPolarHBondContact O-CD 3.44Å; P455-G459 PolarHBondContact O-N 3.08Å; P455-K460 WeakPolarHBondContact O-CA 3.29Å; P455-K460 PolarHBondContact O-N 3.23Å; P455-A461 HydrophobicContact CB-CB 3.82Å; P455-A461 PolarHBondContact O-N 2.77Å
456	L	98.2	Very high	96.9	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-73.5	-45.1	-179.9	-174.2	66	0	0	0	111.8	V422 E424 T426 L453 M454 E458 G459	V422-L456 HydrophobicContact CG1-CD1 3.98Å; V422-L456 HydrophobicContact CG1-CD2 3.73Å; V422-L456 HydrophobicContact CG1-CG 3.75Å; E424-L456 HydrophobicContact CB-CD1 4.27Å; E424-L456 HydrophobicContact CB-CD2 4.1Å; E424-L456 HydrophobicContact CG-CD1 4.05Å; T426-L456 HydrophobicContact CG2-CD2 3.64Å; L453-L456 HydrophobicContact CD2-CD2 4.48Å; L453-L456 WeakPolarHBondContact O-CA 3.13Å; L453-L456 WeakPolarHBondContact O-CB 3.35Å; L453-L456 PolarHBondContact O-N 2.85Å; M454-L456 VanDerWaalsContact C-N 3.26Å; M454-L456 PolarHBondContact O-N 3.1Å; L456-E458 VanDerWaalsContact C-N 3.35Å; L456-E458 PolarHBondContact O-N 3.04Å; L456-G459 PolarHBondContact O-N 2.89Å; L456-G459 VanDerWaalsContact O-N 3.08Å
457	L	98.4	Very high	97.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-37.9	178.7	-64	176.7	0	0	0	112	V90 L92 F363 F410 L416 L453 M454 G459	V90-L457 HydrophobicContact CB-CD2 4.14Å; V90-L457 HydrophobicContact CG1-CD2 3.86Å; L92-L457 HydrophobicContact CD2-CD2 3.95Å; F363-L457 HydrophobicContact CE2-CD1 4.18Å; F363-L457 HydrophobicContact CZ-CD1 4.43Å; F410-L457 HydrophobicContact CB-CD1 4.4Å; F410-L457 HydrophobicContact CB-CD2 4.41Å; F410-L457 HydrophobicContact CD1-CD1 4.05Å; F410-L457 HydrophobicContact CD2-CD1 4.37Å; F410-L457 HydrophobicContact CD2-CD2 3.86Å; F410-L457 HydrophobicContact CE1-CD1 4.39Å; F410-L457 HydrophobicContact CE2-CD2 4.41Å; F410-L457 HydrophobicContact CG-CD1 4Å; F410-L457 HydrophobicContact CG-CD2 4.15Å; L416-L457 HydrophobicContact CD2-CB 3.7Å; L453-L457 HydrophobicContact CB-CD1 3.81Å; L453-L457 HydrophobicContact CB-CG 3.94Å; L453-L457 WeakPolarHBondContact O-CG 3.29Å; L453-L457 PolarHBondContact O-N 3.39Å; M454-L457 PolarHBondContact O-N 2.77Å; M454-L457 HydrophobicContact SD-CD1 4.32Å; L457-G459 PolarHBondContact O-N 2.94Å
458	E	98.1	Very high	97.4	Very high	42 Å²	42	46.7 Å²	46.7	20%	0.196	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.6	175.3	-66.8	176.4	151	0	0	113.1	R415 L416 M454 L456 K460	R415-E458 IonicContact CZ-OE1 2.72Å; R415-E458 IonicContact NE-OE1 2.69Å; R415-E458 PolarHBondContact NE-OE1 3Å; R415-E458 IonicContact NH2-OE1 2.8Å; R415-E458 PolarHBondContact NH2-OE1 3.27Å; L416-E458 HydrophobicContact CD2-CG 4.13Å; M454-E458 HydrophobicContact CE-CG 3.95Å; M454-E458 VanDerWaalsContact O-CB 3.28Å; M454-E458 WeakPolarHBondContact O-CB 3.4Å; M454-E458 VanDerWaalsContact O-CG 3.23Å; M454-E458 WeakPolarHBondContact O-CG 3.27Å; M454-E458 PolarHBondContact O-N 3.34Å; L456-E458 VanDerWaalsContact C-N 3.35Å; L456-E458 PolarHBondContact O-N 3.04Å; E458-K460 VanDerWaalsContact C-N 3.25Å; E458-K460 HydrophobicContact CB-CD 4.24Å; E458-K460 HydrophobicContact CB-CG 4.08Å; E458-K460 PolarHBondContact O-N 2.88Å; E458-K460 IonicContact OE1-NZ 2.69Å; E458-K460 VanDerWaalsContact OE2-CD 3.31Å; E458-K460 WeakPolarHBondContact OE2-CD 3.06Å; E458-K460 WeakPolarHBondContact OE2-CE 3.28Å; E458-K460 IonicContact OE2-NZ 2.71Å; E458-K460 PolarHBondContact OE2-NZ 2.79Å
459	G	97	Very high	97.5	Very high	35 Å²	35	44.7 Å²	44.7	36%	0.361	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	18.2	-176.1	0	0	0	0	0	114.8	P455 L456 L457	P455-G459 PolarHBondContact O-N 3.08Å; L456-G459 PolarHBondContact O-N 2.89Å; L456-G459 VanDerWaalsContact O-N 3.08Å; L457-G459 PolarHBondContact O-N 2.94Å
460	K	97.6	Very high	97.5	Very high	157 Å²	157	44.8 Å²	44.8	68%	0.683	24%	0.238	S	C	*	.	S	Bend	trans	-80.1	-27.3	173.8	-64.6	178.3	-176.9	161.2	0	112.4	P455 E458	P455-K460 WeakPolarHBondContact O-CA 3.29Å; P455-K460 PolarHBondContact O-N 3.23Å; E458-K460 VanDerWaalsContact C-N 3.25Å; E458-K460 HydrophobicContact CB-CD 4.24Å; E458-K460 HydrophobicContact CB-CG 4.08Å; E458-K460 PolarHBondContact O-N 2.88Å; E458-K460 IonicContact OE1-NZ 2.69Å; E458-K460 VanDerWaalsContact OE2-CD 3.31Å; E458-K460 WeakPolarHBondContact OE2-CD 3.06Å; E458-K460 WeakPolarHBondContact OE2-CE 3.28Å; E458-K460 IonicContact OE2-NZ 2.71Å; E458-K460 PolarHBondContact OE2-NZ 2.79Å
461	A	96.8	Very high	97.6	Very high	29 Å²	29	44.8 Å²	44.8	24%	0.24	24%	0.237	C	C	.	.			trans	-110.6	136.8	168.7	0	0	0	0	0	109.2	P455	P455-A461 HydrophobicContact CB-CB 3.82Å; P455-A461 PolarHBondContact O-N 2.77Å
462	A	94.3	Very high	97.5	Very high	92 Å²	92	40.9 Å²	40.9	76%	0.76	22%	0.221	S	C	*	.	S	Bend	trans	-86	-23.7	175.7	0	0	0	0	0	112.7	E424	E424-A462 WeakPolarHBondContact CG-O 3.05Å
463	R	95.6	Very high	97.3	Very high	80 Å²	80	39 Å²	39	30%	0.302	21%	0.212	S	C	.	.	S	Bend	trans	-126.6	143.8	-172.1	177.4	160.7	-70	-151.1	1.5	110.9	E424 H483 P484 P485 D486 S487	E424-R463 VanDerWaalsContact OE2-CA 3.27Å; E424-R463 WeakPolarHBondContact OE2-CA 3.2Å; E424-R463 WeakPolarHBondContact OE2-CG 3.46Å; R463-H483 PolarHBondContact NE-NE2 2.77Å; R463-H483 PolarHBondContact NH2-CE1 3.26Å; R463-H483 PolarHBondContact NH2-NE2 2.94Å; R463-P484 PolarHBondContact NH1-O 3.42Å; R463-P485 VanDerWaalsContact NH1-CA 3.34Å; R463-D486 VanDerWaalsContact NH1-N 3.14Å; R463-S487 PolarHBondContact NH2-O 2.89Å
464	S	95.9	Very high	97	Very high	15 Å²	15	39.3 Å²	39.3	11%	0.105	22%	0.216	C	C	.	.			trans	-76.4	160.3	173.1	74.7	0	0	0	0	111.6	E424 P425 H466	E424-S464 PolarHBondContact OE2-N 3.03Å; P425-S464 WeakPolarHBondContact O-CB 3.44Å; P425-S464 PolarHBondContact O-OG 3.26Å; S464-H466 PolarHBondContact O-N 2.88Å; S464-H466 PolarHBondContact OG-N 3.37Å
465	E	96.4	Very high	96.8	Very high	133 Å²	133	41.9 Å²	41.9	62%	0.621	23%	0.232	S	C	*	.	S	Bend	trans	-77.9	-1.9	174.6	-61.2	-163.6	143.6	0	0	112.8	Y451 E467	Y451-E465 HydrophobicContact CD1-CB 3.71Å; Y451-E465 HydrophobicContact CD1-CG 4.4Å; Y451-E465 WeakPolarHBondContact CD1-OE2 3.25Å; Y451-E465 HydrophobicContact CD2-CB 3.76Å; Y451-E465 HydrophobicContact CE1-CB 4.04Å; Y451-E465 HydrophobicContact CE2-CB 4.11Å; Y451-E465 HydrophobicContact CG-CB 3.55Å; Y451-E465 HydrophobicContact CG-CG 4.41Å; E465-E467 PolarHBondContact O-N 2.94Å
466	H	97.7	Very high	96.6	Very high	5 Å²	5	43.5 Å²	43.5	2%	0.023	23%	0.232	C	C	.	.			trans	-83.1	76	178.3	-73.3	-65.7	0	0	0	112.1	P425 D430 D449 Y451 S464 M469	P425-H466 HydrophobicContact CG-CB 4.42Å; P425-H466 PolarHBondContact O-CD2 2.67Å; D430-H466 IonicContact OD1-CD2 3.83Å; D430-H466 IonicContact OD1-CE1 3.59Å; D430-H466 PolarHBondContact OD1-CE1 3.09Å; D430-H466 IonicContact OD1-NE2 3.19Å; D430-H466 PolarHBondContact OD1-NE2 3.35Å; D430-H466 IonicContact OD2-CD2 3.83Å; D430-H466 PolarHBondContact OD2-CD2 3.44Å; D430-H466 IonicContact OD2-NE2 2.77Å; D430-H466 PolarHBondContact OD2-NE2 3.17Å; D449-H466 PolarHBondContact O-CE1 3.27Å; Y451-H466 AromaticContact CD2-CD2 3.97Å; Y451-H466 AromaticContact CD2-CE1 3.37Å; Y451-H466 WeakPolarHBondContact CD2-CE1 3.39Å; Y451-H466 AromaticContact CD2-CG 4Å; Y451-H466 AromaticContact CD2-ND1 3.66Å; Y451-H466 AromaticContact CD2-NE2 3.59Å; Y451-H466 AromaticContact CE2-CE1 3.61Å; Y451-H466 AromaticContact CE2-ND1 3.54Å; S464-H466 PolarHBondContact O-N 2.88Å; S464-H466 PolarHBondContact OG-N 3.37Å; H466-M469 HydrophobicContact CB-CG 3.94Å; H466-M469 HydrophobicContact CB-SD 4.18Å
467	E	97.1	Very high	96.6	Very high	84 Å²	84	44.2 Å²	44.2	39%	0.393	24%	0.236	S	C	.	.	S	Bend	trans	-67.6	-42.6	168.2	-166.9	-170.5	153	0	0	111	E465 W482 H483	E465-E467 PolarHBondContact O-N 2.94Å; E467-W482 CarbonylContact O-C 3.57Å; E467-W482 WeakPolarHBondContact O-CA 3.39Å; E467-W482 PolarHBondContact OE1-NE1 3.07Å; E467-H483 WeakPolarHBondContact CG-O 3.29Å; E467-H483 PolarHBondContact O-N 2.87Å
468	F	98.4	Very high	96.5	Very high	46 Å²	46	44.3 Å²	44.3	20%	0.202	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.7	177.5	-69.8	-86.4	0	0	0	111	F470 V480 R481 W482 I557 A560	F468-F470 HydrophobicContact CB-CE2 4.2Å; F468-F470 HydrophobicContact CB-CZ 4.08Å; F468-V480 HydrophobicContact CD1-CG1 4.3Å; F468-R481 CarbonylContact C-O 3.35Å; F468-R481 WeakPolarHBondContact CA-O 3.17Å; F468-W482 HydrophobicContact CD1-CB 3.89Å; F468-W482 AromaticContact CD1-CD1 3.58Å; F468-W482 AromaticContact CD1-CG 3.92Å; F468-W482 HydrophobicContact CD1-CG 3.92Å; F468-W482 HydrophobicContact CE1-CB 3.74Å; F468-W482 AromaticContact CE1-CD1 3.13Å; F468-W482 HydrophobicContact CE1-CD2 4.1Å; F468-W482 AromaticContact CE1-CG 3.39Å; F468-W482 HydrophobicContact CE1-CG 3.39Å; F468-W482 AromaticContact CE1-NE1 3.7Å; F468-W482 AromaticContact CE2-CD1 3.6Å; F468-W482 AromaticContact CE2-NE1 3.61Å; F468-W482 AromaticContact CZ-CD1 3.15Å; F468-W482 HydrophobicContact CZ-CD2 4.2Å; F468-W482 AromaticContact CZ-CE2 3.9Å; F468-W482 AromaticContact CZ-CG 3.78Å; F468-W482 HydrophobicContact CZ-CG 3.78Å; F468-W482 AromaticContact CZ-NE1 3.21Å; F468-I557 HydrophobicContact CE1-CG1 4.16Å; F468-A560 HydrophobicContact CD1-CB 3.42Å; F468-A560 VanDerWaalsContact CD1-CB 3.42Å; F468-A560 HydrophobicContact CD2-CB 4Å; F468-A560 HydrophobicContact CE1-CB 3.35Å; F468-A560 HydrophobicContact CE2-CB 3.94Å; F468-A560 HydrophobicContact CG-CB 3.74Å; F468-A560 HydrophobicContact CZ-CB 3.62Å
469	M	98.6	Very high	96.5	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.02	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.9	170.2	-50.2	-180	82.7	0	0	110	I96 P425 H466 V480 R481	I96-M469 HydrophobicContact CB-CE 3.91Å; I96-M469 HydrophobicContact CG1-CE 4.2Å; I96-M469 HydrophobicContact CG1-SD 4.3Å; I96-M469 HydrophobicContact CG2-CE 4.38Å; P425-M469 HydrophobicContact CB-SD 3.84Å; H466-M469 HydrophobicContact CB-CG 3.94Å; H466-M469 HydrophobicContact CB-SD 4.18Å; M469-V480 WeakPolarHBondContact O-CA 3.48Å; M469-R481 HydrophobicContact CB-CB 4.22Å; M469-R481 PolarHBondContact N-O 3.31Å; M469-R481 PolarHBondContact O-N 3.42Å
470	F	98.5	Very high	96.6	Very high	17 Å²	17	40.6 Å²	40.6	8%	0.075	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.5	-179.8	-53.8	-86.9	0	0	0	109.4	Y114 F468 Y472 L477 V480 A560 V561 H564	Y114-F470 HydrophobicContact CE1-CB 4.42Å; Y114-F470 WeakPolarHBondContact CE1-O 3.12Å; Y114-F470 HydrophobicContact CE2-CB 4.34Å; Y114-F470 HydrophobicContact CE2-CD2 4.06Å; Y114-F470 PolarHBondContact OH-N 3.44Å; Y114-F470 PolarHBondContact OH-O 2.98Å; Y114-F470 VanDerWaalsContact OH-O 3.11Å; F468-F470 HydrophobicContact CB-CE2 4.2Å; F468-F470 HydrophobicContact CB-CZ 4.08Å; F470-Y472 HydrophobicContact CB-CD2 4.37Å; F470-Y472 HydrophobicContact CB-CE2 3.77Å; F470-L477 HydrophobicContact CB-CD1 3.93Å; F470-L477 HydrophobicContact CD1-CD1 4.25Å; F470-V480 HydrophobicContact CD1-CG1 4.44Å; F470-V480 HydrophobicContact CD1-CG2 3.75Å; F470-V480 HydrophobicContact CE1-CG1 4.36Å; F470-V480 HydrophobicContact CE1-CG2 4.22Å; F470-A560 HydrophobicContact CZ-CB 4.43Å; F470-V561 HydrophobicContact CD1-CG2 4.47Å; F470-V561 HydrophobicContact CE1-CG2 4.11Å; F470-H564 HydrophobicContact CD1-CB 4.14Å; F470-H564 AromaticContact CD1-CD2 3.65Å; F470-H564 AromaticContact CD1-CG 3.88Å; F470-H564 HydrophobicContact CD2-CB 4.29Å; F470-H564 AromaticContact CD2-CD2 3.93Å; F470-H564 AromaticContact CD2-CE1 3.74Å; F470-H564 AromaticContact CD2-CG 3.69Å; F470-H564 AromaticContact CD2-ND1 3.57Å; F470-H564 AromaticContact CD2-NE2 3.97Å; F470-H564 HydrophobicContact CE1-CB 3.57Å; F470-H564 AromaticContact CE1-CG 3.82Å; F470-H564 HydrophobicContact CE2-CB 3.74Å; F470-H564 AromaticContact CE2-CG 3.62Å; F470-H564 AromaticContact CE2-ND1 3.63Å; F470-H564 HydrophobicContact CG-CB 4.5Å; F470-H564 AromaticContact CG-CD2 3.63Å; F470-H564 AromaticContact CG-CG 3.85Å; F470-H564 AromaticContact CG-NE2 3.77Å; F470-H564 HydrophobicContact CZ-CB 3.36Å; F470-H564 AromaticContact CZ-CG 3.7Å
471	H	98.4	Very high	96.7	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.023	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.6	-177.7	-52	-61.2	0	0	0	109.8	G398 I404 N478 A479 R481	G398-H471 VanDerWaalsContact O-CB 3.3Å; G398-H471 WeakPolarHBondContact O-CB 3.48Å; I404-H471 HydrophobicContact CD1-CB 4.47Å; I404-H471 WeakPolarHBondContact CD1-ND1 3.31Å; H471-N478 WeakPolarHBondContact O-CA 3.15Å; H471-N478 PolarHBondContact O-N 2.74Å; H471-A479 HydrophobicContact CB-CB 4.19Å; H471-A479 WeakPolarHBondContact CB-O 3.29Å; H471-A479 PolarHBondContact N-O 2.93Å; H471-A479 PolarHBondContact O-N 3.43Å; H471-A479 VanDerWaalsContact O-N 3.09Å; H471-R481 VanDerWaalsContact NE2-CB 3.34Å; H471-R481 WeakPolarHBondContact NE2-CB 3.15Å
472	Y	96.8	Very high	96.7	Very high	11 Å²	11	32.3 Å²	32.3	4%	0.043	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	146.4	-175.5	-73.8	-91.2	0	0	0	111.7	P100 Y114 L116 F470 Y476 L477 H564	P100-Y472 WeakPolarHBondContact CD-O 3.4Å; Y114-Y472 HydrophobicContact CD1-CD2 4.22Å; Y114-Y472 HydrophobicContact CD1-CE2 4.38Å; Y114-Y472 HydrophobicContact CE1-CD2 4.48Å; L116-Y472 HydrophobicContact CD1-CD1 3.44Å; L116-Y472 VanDerWaalsContact CD1-CD1 3.44Å; L116-Y472 HydrophobicContact CD1-CD2 3.8Å; L116-Y472 HydrophobicContact CD1-CE1 3.77Å; L116-Y472 HydrophobicContact CD1-CE2 4.1Å; L116-Y472 HydrophobicContact CD1-CG 3.45Å; L116-Y472 VanDerWaalsContact CD1-CG 3.45Å; L116-Y472 HydrophobicContact CD2-CD1 3.81Å; L116-Y472 HydrophobicContact CD2-CE1 3.43Å; L116-Y472 VanDerWaalsContact CD2-CE1 3.43Å; L116-Y472 HydrophobicContact CG-CD1 4.28Å; L116-Y472 HydrophobicContact CG-CE1 4.27Å; F470-Y472 HydrophobicContact CB-CD2 4.37Å; F470-Y472 HydrophobicContact CB-CE2 3.77Å; Y472-Y476 WeakPolarHBondContact CA-O 3.36Å; Y472-L477 HydrophobicContact CD1-CB 4.22Å; Y472-L477 HydrophobicContact CD1-CD1 4.46Å; Y472-L477 HydrophobicContact CD2-CD1 4.4Å; Y472-L477 HydrophobicContact CE1-CB 3.81Å; Y472-L477 HydrophobicContact CE1-CD1 4.09Å; Y472-L477 HydrophobicContact CE2-CD1 4.04Å; Y472-H564 AromaticContact CE2-NE2 3.66Å; Y472-H564 AromaticContact CZ-NE2 3.64Å; Y472-H564 PolarHBondContact OH-CD2 3.45Å; Y472-H564 PolarHBondContact OH-NE2 3.4Å
473	C	94.6	Very high	96.9	Very high	5 Å²	5	28 Å²	28	3%	0.034	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	105.5	165.6	-166.1	0	0	0	0	106	V475 Y476 N478 F496 C516	C473-V475 PolarHBondContact O-N 3.23Å; C473-Y476 PolarHBondContact N-O 3.48Å; C473-Y476 WeakPolarHBondContact O-CB 3.31Å; C473-Y476 WeakPolarHBondContact O-CD2 3.08Å; C473-Y476 PolarHBondContact O-N 3.25Å; C473-N478 HydrophobicContact CB-CB 3.91Å; C473-F496 HydrophobicContact CB-CE2 4.42Å; C473-F496 HydrophobicContact CB-CZ 4.07Å; C473-C516 VanDerWaalsContact CA-SG 3.5Å; C473-C516 HydrophobicContact CB-CB 3.67Å; C473-C516 WeakPolarHBondContact CB-SG 3.5Å; C473-C516 VanDerWaalsContact SG-CA 3.59Å; C473-C516 WeakPolarHBondContact SG-CB 3.28Å; C473-C516 CovalentContact SG-SG 2.02Å; C473-C516 PolarHBondContact SG-SG 2.85Å
474	G	91.8	Very high	97	Very high	11 Å²	11	24.4 Å²	24.4	11%	0.113	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-124.8	-166.2	0	0	0	0	0	111.1	S122 Q127	S122-G474 CarbonylContact O-C 3.3Å; S122-G474 VanDerWaalsContact O-CA 3.24Å; S122-G474 WeakPolarHBondContact O-CA 3.21Å; Q127-G474 VanDerWaalsContact OE1-CA 3.24Å
475	V	93.6	Very high	96.8	Very high	54 Å²	54	27.2 Å²	27.2	33%	0.327	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-3.9	173.4	-57.2	0	0	0	0	113.8	A121 S122 P123 C473	A121-V475 HydrophobicContact CB-CG1 3.94Å; S122-V475 PolarHBondContact O-N 3.14Å; S122-V475 VanDerWaalsContact O-N 3.14Å; P123-V475 HydrophobicContact CB-CG2 3.86Å; C473-V475 PolarHBondContact O-N 3.23Å
476	Y	95.4	Very high	96.5	Very high	81 Å²	81	28.8 Å²	28.8	32%	0.318	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.8	-173	-53	-80.2	0	0	0	110	P123 Y472 C473 N478 C516 H517	P123-Y476 WeakPolarHBondContact O-CE2 3.43Å; P123-Y476 PolarHBondContact O-OH 2.8Å; Y472-Y476 WeakPolarHBondContact CA-O 3.36Å; C473-Y476 PolarHBondContact N-O 3.48Å; C473-Y476 WeakPolarHBondContact O-CB 3.31Å; C473-Y476 WeakPolarHBondContact O-CD2 3.08Å; C473-Y476 PolarHBondContact O-N 3.25Å; Y476-N478 PolarHBondContact O-N 2.94Å; Y476-N478 VanDerWaalsContact O-N 3.08Å; Y476-C516 HydrophobicContact CD2-CB 3.74Å; Y476-C516 HydrophobicContact CE2-CB 4.28Å; Y476-H517 HydrophobicContact CE2-CB 3.86Å
477	L	97.3	Very high	96.3	Very high	22 Å²	22	29.8 Å²	29.8	12%	0.115	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	107.9	173.1	179.6	64.2	0	0	0	108.6	F470 Y472 V480 F495 F496 V561	F470-L477 HydrophobicContact CB-CD1 3.93Å; F470-L477 HydrophobicContact CD1-CD1 4.25Å; Y472-L477 HydrophobicContact CD1-CB 4.22Å; Y472-L477 HydrophobicContact CD1-CD1 4.46Å; Y472-L477 HydrophobicContact CD2-CD1 4.4Å; Y472-L477 HydrophobicContact CE1-CB 3.81Å; Y472-L477 HydrophobicContact CE1-CD1 4.09Å; Y472-L477 HydrophobicContact CE2-CD1 4.04Å; L477-V480 HydrophobicContact CD1-CG2 4.1Å; L477-V480 HydrophobicContact CD2-CG2 4.21Å; L477-V480 HydrophobicContact CG-CG2 4.42Å; L477-F495 HydrophobicContact CD2-CD2 4.31Å; L477-F495 HydrophobicContact CD2-CE2 3.74Å; L477-F495 HydrophobicContact CG-CD2 4.08Å; L477-F495 HydrophobicContact CG-CE2 3.92Å; L477-F496 WeakPolarHBondContact O-CE1 3.46Å; L477-V561 HydrophobicContact CD2-CB 4.44Å; L477-V561 HydrophobicContact CD2-CG1 3.69Å; L477-V561 HydrophobicContact CD2-CG2 3.86Å
478	N	97.1	Very high	96.1	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.011	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-47.5	-169.6	-173.7	-146	0	0	0	112.1	G399 H471 C473 Y476 F495 F496	G399-N478 WeakPolarHBondContact CA-OD1 3.32Å; G399-N478 PolarHBondContact N-OD1 3.3Å; H471-N478 WeakPolarHBondContact O-CA 3.15Å; H471-N478 PolarHBondContact O-N 2.74Å; C473-N478 HydrophobicContact CB-CB 3.91Å; Y476-N478 PolarHBondContact O-N 2.94Å; Y476-N478 VanDerWaalsContact O-N 3.08Å; N478-F495 PolarHBondContact O-N 2.87Å; N478-F496 VanDerWaalsContact CA-CE1 3.45Å; N478-F496 HydrophobicContact CB-CE1 3.78Å; N478-F496 HydrophobicContact CB-CE2 4.25Å; N478-F496 HydrophobicContact CB-CZ 3.61Å; N478-F496 WeakPolarHBondContact ND2-CD1 3.42Å; N478-F496 WeakPolarHBondContact ND2-CD2 3.17Å; N478-F496 WeakPolarHBondContact ND2-CE1 3.41Å; N478-F496 WeakPolarHBondContact ND2-CE2 3.49Å; N478-F496 VanDerWaalsContact ND2-CG 3.33Å; N478-F496 WeakPolarHBondContact ND2-CG 3.49Å; N478-F496 WeakPolarHBondContact ND2-CZ 3.31Å; N478-F496 PolarHBondContact ND2-O 3.2Å
479	A	98.6	Very high	96.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	162.5	176.5	0	0	0	0	0	112.1	H471 V493	H471-A479 HydrophobicContact CB-CB 4.19Å; H471-A479 WeakPolarHBondContact CB-O 3.29Å; H471-A479 PolarHBondContact N-O 2.93Å; H471-A479 PolarHBondContact O-N 3.43Å; H471-A479 VanDerWaalsContact O-N 3.09Å; A479-V493 CarbonylContact C-O 3.52Å; A479-V493 WeakPolarHBondContact CA-O 3.38Å; A479-V493 WeakPolarHBondContact CB-O 3.48Å
480	V	98.8	Very high	96	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130.5	171.7	174.5	0	0	0	0	109	F468 M469 F470 L477 K492 V493 F495 I557 V561	F468-V480 HydrophobicContact CD1-CG1 4.3Å; M469-V480 WeakPolarHBondContact O-CA 3.48Å; F470-V480 HydrophobicContact CD1-CG1 4.44Å; F470-V480 HydrophobicContact CD1-CG2 3.75Å; F470-V480 HydrophobicContact CE1-CG1 4.36Å; F470-V480 HydrophobicContact CE1-CG2 4.22Å; L477-V480 HydrophobicContact CD1-CG2 4.1Å; L477-V480 HydrophobicContact CD2-CG2 4.21Å; L477-V480 HydrophobicContact CG-CG2 4.42Å; V480-K492 WeakPolarHBondContact O-CA 3.27Å; V480-V493 PolarHBondContact N-O 3.5Å; V480-V493 PolarHBondContact O-N 3.32Å; V480-F495 HydrophobicContact CG2-CE2 3.82Å; V480-F495 HydrophobicContact CG2-CZ 4.34Å; V480-I557 HydrophobicContact CB-CG2 3.91Å; V480-I557 HydrophobicContact CG1-CG1 4.36Å; V480-I557 HydrophobicContact CG1-CG2 3.89Å; V480-I557 HydrophobicContact CG2-CG2 4.42Å; V480-V561 HydrophobicContact CG2-CG2 3.71Å
481	R	98.3	Very high	96	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.4	169.5	-180	-174.3	-62.6	-162.3	1.7	109.1	E401 F468 M469 H471 I490 F491	E401-R481 IonicContact OE1-CZ 3.9Å; E401-R481 IonicContact OE1-NH2 2.75Å; E401-R481 PolarHBondContact OE1-NH2 2.86Å; E401-R481 IonicContact OE2-CZ 3.88Å; E401-R481 IonicContact OE2-NH2 3.31Å; E401-R481 PolarHBondContact OE2-NH2 2.68Å; F468-R481 CarbonylContact C-O 3.35Å; F468-R481 WeakPolarHBondContact CA-O 3.17Å; M469-R481 HydrophobicContact CB-CB 4.22Å; M469-R481 PolarHBondContact N-O 3.31Å; M469-R481 PolarHBondContact O-N 3.42Å; H471-R481 VanDerWaalsContact NE2-CB 3.34Å; H471-R481 WeakPolarHBondContact NE2-CB 3.15Å; R481-I490 HydrophobicContact CG-CG2 3.46Å; R481-I490 VanDerWaalsContact CG-CG2 3.46Å; R481-F491 CarbonylContact C-O 3.48Å; R481-F491 WeakPolarHBondContact CA-O 3.38Å
482	W	98.5	Very high	96	Very high	9 Å²	9	28.4 Å²	28.4	3%	0.034	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.3	172.1	179.6	41.8	0	0	0	109.4	E467 F468 P484 I490 F491 I553 Q556 I557	E467-W482 CarbonylContact O-C 3.57Å; E467-W482 WeakPolarHBondContact O-CA 3.39Å; E467-W482 PolarHBondContact OE1-NE1 3.07Å; F468-W482 HydrophobicContact CD1-CB 3.89Å; F468-W482 AromaticContact CD1-CD1 3.58Å; F468-W482 AromaticContact CD1-CG 3.92Å; F468-W482 HydrophobicContact CD1-CG 3.92Å; F468-W482 HydrophobicContact CE1-CB 3.74Å; F468-W482 AromaticContact CE1-CD1 3.13Å; F468-W482 HydrophobicContact CE1-CD2 4.1Å; F468-W482 AromaticContact CE1-CG 3.39Å; F468-W482 HydrophobicContact CE1-CG 3.39Å; F468-W482 AromaticContact CE1-NE1 3.7Å; F468-W482 AromaticContact CE2-CD1 3.6Å; F468-W482 AromaticContact CE2-NE1 3.61Å; F468-W482 AromaticContact CZ-CD1 3.15Å; F468-W482 HydrophobicContact CZ-CD2 4.2Å; F468-W482 AromaticContact CZ-CE2 3.9Å; F468-W482 AromaticContact CZ-CG 3.78Å; F468-W482 HydrophobicContact CZ-CG 3.78Å; F468-W482 AromaticContact CZ-NE1 3.21Å; W482-P484 HydrophobicContact CD2-CB 4.36Å; W482-P484 HydrophobicContact CD2-CG 3.78Å; W482-P484 HydrophobicContact CE3-CG 3.81Å; W482-P484 HydrophobicContact CG-CG 4.48Å; W482-P484 HydrophobicContact CH2-CB 3.96Å; W482-P484 HydrophobicContact CH2-CG 3.88Å; W482-P484 HydrophobicContact CZ2-CB 3.63Å; W482-P484 HydrophobicContact CZ2-CG 3.85Å; W482-P484 HydrophobicContact CZ3-CB 4.44Å; W482-P484 HydrophobicContact CZ3-CG 3.84Å; W482-P484 WeakPolarHBondContact O-CD 3.32Å; W482-I490 CarbonylContact O-C 3.57Å; W482-F491 AromaticContact CE3-CD2 3.93Å; W482-F491 HydrophobicContact CE3-CD2 3.93Å; W482-F491 HydrophobicContact CZ3-CD2 4.21Å; W482-F491 PolarHBondContact N-O 2.86Å; W482-F491 PolarHBondContact O-N 3.44Å; W482-I553 HydrophobicContact CE3-CG1 4.43Å; W482-I553 HydrophobicContact CE3-CG2 4.14Å; W482-I553 HydrophobicContact CZ3-CB 4.21Å; W482-I553 HydrophobicContact CZ3-CG1 3.89Å; W482-I553 HydrophobicContact CZ3-CG2 4.34Å; W482-Q556 HydrophobicContact CE3-CB 4.46Å; W482-Q556 HydrophobicContact CH2-CB 3.95Å; W482-Q556 HydrophobicContact CH2-CG 3.78Å; W482-Q556 HydrophobicContact CZ2-CB 4.05Å; W482-Q556 HydrophobicContact CZ2-CG 4.05Å; W482-Q556 HydrophobicContact CZ3-CB 4.16Å; W482-Q556 HydrophobicContact CZ3-CG 4.35Å; W482-I557 HydrophobicContact CB-CD1 4.05Å; W482-I557 HydrophobicContact CB-CG1 3.94Å; W482-I557 HydrophobicContact CG-CG1 4.49Å
483	H	97.9	Very high	96.1	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.014	16%	0.155	C	C	.	.			trans	-107.4	94.2	170.8	-179.9	44.1	0	0	0	108.2	E424 P425 R463 E467 S487 S489 I490	E424-H483 IonicContact OE1-NE2 3.23Å; E424-H483 IonicContact OE2-CD2 2.66Å; E424-H483 IonicContact OE2-NE2 3.74Å; P425-H483 HydrophobicContact CG-CB 4.12Å; R463-H483 PolarHBondContact NE-NE2 2.77Å; R463-H483 PolarHBondContact NH2-CE1 3.26Å; R463-H483 PolarHBondContact NH2-NE2 2.94Å; E467-H483 WeakPolarHBondContact CG-O 3.29Å; E467-H483 PolarHBondContact O-N 2.87Å; H483-S487 PolarHBondContact CE1-O 3.33Å; H483-S489 PolarHBondContact ND1-O 2.91Å; H483-S489 VanDerWaalsContact ND1-O 3.1Å; H483-I490 HydrophobicContact CB-CG1 4.32Å
484	P	96.8	Very high	96.3	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.019	15%	0.153	C	C	.	.			trans	-60.9	147.3	-172.9	-18.7	29.7	0	0	0	112	R463 W482 D486 S487 S489 F491	R463-P484 PolarHBondContact NH1-O 3.42Å; W482-P484 HydrophobicContact CD2-CB 4.36Å; W482-P484 HydrophobicContact CD2-CG 3.78Å; W482-P484 HydrophobicContact CE3-CG 3.81Å; W482-P484 HydrophobicContact CG-CG 4.48Å; W482-P484 HydrophobicContact CH2-CB 3.96Å; W482-P484 HydrophobicContact CH2-CG 3.88Å; W482-P484 HydrophobicContact CZ2-CB 3.63Å; W482-P484 HydrophobicContact CZ2-CG 3.85Å; W482-P484 HydrophobicContact CZ3-CB 4.44Å; W482-P484 HydrophobicContact CZ3-CG 3.84Å; W482-P484 WeakPolarHBondContact O-CD 3.32Å; P484-D486 PolarHBondContact O-N 3.4Å; P484-S487 PolarHBondContact O-N 2.71Å; P484-S489 VanDerWaalsContact CD-O 3.26Å; P484-S489 WeakPolarHBondContact CD-O 2.98Å; P484-F491 HydrophobicContact CG-CD2 3.73Å; P484-F491 HydrophobicContact CG-CE2 3.83Å
485	P	93.4	Very high	96.6	Very high	75 Å²	75	29.8 Å²	29.8	49%	0.487	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	142.2	169.7	25.4	-33.5	0	0	0	110.1	R463 S487	R463-P485 VanDerWaalsContact NH1-CA 3.34Å; P485-S487 PolarHBondContact O-N 3.47Å
486	D	88.7	Confident	96.8	Very high	165 Å²	165	27.5 Å²	27.5	88%	0.882	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	16.8	176.1	-49.5	-48.3	0	0	0	116.2	R463 P484	R463-D486 VanDerWaalsContact NH1-N 3.14Å; P484-D486 PolarHBondContact O-N 3.4Å
487	S	93.6	Very high	96.9	Very high	26 Å²	26	24.4 Å²	24.4	18%	0.182	14%	0.135	C	C	.	.			trans	-123.9	149.4	173.7	-175.6	0	0	0	0	111.6	R463 H483 P484 P485 S489	R463-S487 PolarHBondContact NH2-O 2.89Å; H483-S487 PolarHBondContact CE1-O 3.33Å; P484-S487 PolarHBondContact O-N 2.71Å; P485-S487 PolarHBondContact O-N 3.47Å; S487-S489 PolarHBondContact OG-N 2.77Å; S487-S489 VanDerWaalsContact OG-N 3.1Å
488	N	94.1	Very high	96.9	Very high	103 Å²	103	23.9 Å²	23.9	55%	0.551	13%	0.133	S	C	*	.			trans	-86.4	-16.2	169.2	-68.7	-17.5	0	0	0	112.6	F533	N488-F533 HydrophobicContact CB-CD2 4.01Å; N488-F533 HydrophobicContact CB-CE1 4.29Å; N488-F533 HydrophobicContact CB-CE2 3.77Å; N488-F533 HydrophobicContact CB-CG 4.38Å; N488-F533 HydrophobicContact CB-CZ 3.92Å; N488-F533 WeakPolarHBondContact O-CB 3.26Å; N488-F533 WeakPolarHBondContact O-CD2 3.33Å; N488-F533 WeakPolarHBondContact O-CG 3.1Å
489	S	96.7	Very high	96.9	Very high	17 Å²	17	26.7 Å²	26.7	12%	0.119	15%	0.148	C	C	.	.			trans	-61.6	147.8	177.2	-70.8	0	0	0	0	111.2	H483 P484 S487 D531	H483-S489 PolarHBondContact ND1-O 2.91Å; H483-S489 VanDerWaalsContact ND1-O 3.1Å; P484-S489 VanDerWaalsContact CD-O 3.26Å; P484-S489 WeakPolarHBondContact CD-O 2.98Å; S487-S489 PolarHBondContact OG-N 2.77Å; S487-S489 VanDerWaalsContact OG-N 3.1Å; S489-D531 WeakPolarHBondContact CA-OD1 3.45Å; S489-D531 WeakPolarHBondContact CB-OD1 3.42Å; S489-D531 WeakPolarHBondContact CB-OD2 3.06Å; S489-D531 PolarHBondContact OG-OD2 3.47Å
490	I	98.1	Very high	96.7	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.026	16%	0.155	C	C	.	.			trans	-131.6	95.3	177.5	-62.7	173.3	0	0	0	106.4	Q94 R481 W482 H483 D531 L532	Q94-I490 VanDerWaalsContact NE2-CD1 3.3Å; Q94-I490 VanDerWaalsContact OE1-CD1 3.27Å; R481-I490 HydrophobicContact CG-CG2 3.46Å; R481-I490 VanDerWaalsContact CG-CG2 3.46Å; W482-I490 CarbonylContact O-C 3.57Å; H483-I490 HydrophobicContact CB-CG1 4.32Å; I490-D531 PolarHBondContact N-OD1 3.09Å; I490-D531 CarbonylContact O-C 3.54Å; I490-L532 HydrophobicContact CB-CB 4.15Å; I490-L532 HydrophobicContact CG2-CB 4.19Å; I490-L532 HydrophobicContact CG2-CD1 3.98Å; I490-L532 HydrophobicContact CG2-CG 4.39Å; I490-L532 PolarHBondContact O-N 3.08Å
491	F	98.4	Very high	96.5	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.5	-177.6	-64.7	-63.7	0	0	0	110.2	R481 W482 P484 L529 Y530 D531 L542 I553	R481-F491 CarbonylContact C-O 3.48Å; R481-F491 WeakPolarHBondContact CA-O 3.38Å; W482-F491 AromaticContact CE3-CD2 3.93Å; W482-F491 HydrophobicContact CE3-CD2 3.93Å; W482-F491 HydrophobicContact CZ3-CD2 4.21Å; W482-F491 PolarHBondContact N-O 2.86Å; W482-F491 PolarHBondContact O-N 3.44Å; P484-F491 HydrophobicContact CG-CD2 3.73Å; P484-F491 HydrophobicContact CG-CE2 3.83Å; F491-L529 HydrophobicContact CB-CD1 4.07Å; F491-L529 HydrophobicContact CD1-CD1 4.29Å; F491-Y530 CarbonylContact C-O 3.43Å; F491-Y530 VanDerWaalsContact CA-O 3.31Å; F491-Y530 WeakPolarHBondContact CA-O 3.3Å; F491-D531 HydrophobicContact CD1-CB 4.12Å; F491-D531 HydrophobicContact CE1-CB 4.07Å; F491-L542 HydrophobicContact CD1-CD1 4.3Å; F491-L542 HydrophobicContact CE1-CD1 4.15Å; F491-I553 HydrophobicContact CB-CG2 3.94Å; F491-I553 HydrophobicContact CD1-CD1 3.77Å; F491-I553 HydrophobicContact CD2-CD1 4.03Å; F491-I553 HydrophobicContact CD2-CG1 3.99Å; F491-I553 HydrophobicContact CD2-CG2 4.37Å; F491-I553 HydrophobicContact CE1-CD1 3.56Å; F491-I553 HydrophobicContact CE2-CD1 3.83Å; F491-I553 HydrophobicContact CE2-CG1 4.01Å; F491-I553 HydrophobicContact CG-CD1 4Å; F491-I553 HydrophobicContact CG-CG1 4.24Å; F491-I553 HydrophobicContact CG-CG2 4.05Å; F491-I553 HydrophobicContact CZ-CD1 3.6Å; F491-I553 HydrophobicContact CZ-CG1 4.29Å
492	K	98.5	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.4	176	-171.2	165.2	166.6	-151.2	0	110.7	G399 E401 V480 L529 Y530 L532 E538	G399-K492 WeakPolarHBondContact O-CE 3.45Å; G399-K492 PolarHBondContact O-NZ 3.08Å; E401-K492 WeakPolarHBondContact OE1-CE 3.39Å; E401-K492 IonicContact OE1-NZ 3.4Å; E401-K492 PolarHBondContact OE1-NZ 2.81Å; V480-K492 WeakPolarHBondContact O-CA 3.27Å; K492-L529 WeakPolarHBondContact O-CA 3.41Å; K492-Y530 PolarHBondContact N-O 3.41Å; K492-Y530 PolarHBondContact O-N 3.07Å; K492-L532 HydrophobicContact CB-CD1 4.14Å; K492-L532 HydrophobicContact CB-CD2 4.35Å; K492-L532 HydrophobicContact CB-CG 4.06Å; K492-L532 HydrophobicContact CD-CD1 3.79Å; K492-L532 HydrophobicContact CD-CD2 4.24Å; K492-L532 HydrophobicContact CD-CG 4.33Å; K492-E538 VanDerWaalsContact CD-OE1 3.32Å; K492-E538 WeakPolarHBondContact CD-OE1 3.17Å; K492-E538 VanDerWaalsContact CE-OE1 3.31Å; K492-E538 WeakPolarHBondContact CE-OE1 3.48Å; K492-E538 IonicContact NZ-OE1 3.82Å; K492-E538 PolarHBondContact NZ-OE1 3.44Å; K492-E538 IonicContact NZ-OE2 3.73Å; K492-E538 PolarHBondContact NZ-OE2 3.12Å
493	V	98.4	Very high	96	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.3	-179.6	168.3	0	0	0	0	110	A479 V480 F495 P527 L528 L529 L554 I557	A479-V493 CarbonylContact C-O 3.52Å; A479-V493 WeakPolarHBondContact CA-O 3.38Å; A479-V493 WeakPolarHBondContact CB-O 3.48Å; V480-V493 PolarHBondContact N-O 3.5Å; V480-V493 PolarHBondContact O-N 3.32Å; V493-F495 HydrophobicContact CG1-CD1 4.4Å; V493-F495 HydrophobicContact CG1-CE1 4.04Å; V493-F495 HydrophobicContact CG1-CZ 4.26Å; V493-P527 HydrophobicContact CG1-CB 3.3Å; V493-P527 HydrophobicContact CG1-CG 4.04Å; V493-L528 CarbonylContact C-O 3.43Å; V493-L528 VanDerWaalsContact CA-O 3.22Å; V493-L528 WeakPolarHBondContact CA-O 3.29Å; V493-L529 HydrophobicContact CG2-CD1 3.6Å; V493-L554 HydrophobicContact CG1-CD2 4.38Å; V493-L554 HydrophobicContact CG2-CD2 3.74Å; V493-I557 HydrophobicContact CB-CD1 3.97Å; V493-I557 HydrophobicContact CB-CG2 4.41Å; V493-I557 HydrophobicContact CG2-CD1 3.32Å
494	H	98.6	Very high	95.5	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.7	174.1	-65.4	-118.4	0	0	0	110.5	G399 W400 T497 P527 L528 Y530 E538	G399-H494 VanDerWaalsContact C-CE1 3.46Å; G399-H494 PolarHBondContact O-CE1 3.04Å; W400-H494 AromaticContact CD2-CE1 3.78Å; W400-H494 AromaticContact CE3-CE1 3.46Å; W400-H494 VanDerWaalsContact CE3-CE1 3.46Å; W400-H494 AromaticContact CZ3-CE1 3.6Å; W400-H494 AromaticContact CZ3-NE2 3.88Å; H494-T497 HydrophobicContact CB-CG2 4.25Å; H494-P527 WeakPolarHBondContact O-CA 3.29Å; H494-P527 WeakPolarHBondContact O-CB 3.26Å; H494-L528 HydrophobicContact CB-CB 4.17Å; H494-L528 PolarHBondContact N-O 3.27Å; H494-L528 PolarHBondContact O-N 3.27Å; H494-L528 VanDerWaalsContact O-N 3.08Å; H494-Y530 AromaticContact CD2-CD2 3.68Å; H494-Y530 AromaticContact CD2-CE2 3.66Å; H494-Y530 AromaticContact NE2-CD2 3.86Å; H494-Y530 AromaticContact NE2-CE2 3.91Å; H494-E538 IonicContact CD2-OE1 3.34Å; H494-E538 IonicContact CE1-OE1 3.68Å; H494-E538 PolarHBondContact CE1-OE1 3.25Å; H494-E538 IonicContact NE2-OE1 3.31Å; H494-E538 PolarHBondContact NE2-OE1 3.25Å
495	F	98.4	Very high	95.1	Very high	55 Å²	55	47.2 Å²	47.2	24%	0.241	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-29	175.9	-61.6	-63.8	0	0	0	112.5	L477 N478 V480 V493 H524 P527 I557 V561	L477-F495 HydrophobicContact CD2-CD2 4.31Å; L477-F495 HydrophobicContact CD2-CE2 3.74Å; L477-F495 HydrophobicContact CG-CD2 4.08Å; L477-F495 HydrophobicContact CG-CE2 3.92Å; N478-F495 PolarHBondContact O-N 2.87Å; V480-F495 HydrophobicContact CG2-CE2 3.82Å; V480-F495 HydrophobicContact CG2-CZ 4.34Å; V493-F495 HydrophobicContact CG1-CD1 4.4Å; V493-F495 HydrophobicContact CG1-CE1 4.04Å; V493-F495 HydrophobicContact CG1-CZ 4.26Å; F495-H524 PolarHBondContact O-N 2.04Å; F495-P527 HydrophobicContact CD1-CB 4.23Å; F495-P527 HydrophobicContact CD1-CG 3.82Å; F495-P527 HydrophobicContact CE1-CG 4.01Å; F495-I557 HydrophobicContact CZ-CG2 4.35Å; F495-V561 HydrophobicContact CE2-CG2 4.38Å; F495-V561 HydrophobicContact CZ-CG2 4.12Å
496	F	98.1	Very high	95	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	162.3	171.6	66.7	-89	0	0	0	109.8	C473 L477 N478 V521 T522 H523	C473-F496 HydrophobicContact CB-CE2 4.42Å; C473-F496 HydrophobicContact CB-CZ 4.07Å; L477-F496 WeakPolarHBondContact O-CE1 3.46Å; N478-F496 VanDerWaalsContact CA-CE1 3.45Å; N478-F496 HydrophobicContact CB-CE1 3.78Å; N478-F496 HydrophobicContact CB-CE2 4.25Å; N478-F496 HydrophobicContact CB-CZ 3.61Å; N478-F496 WeakPolarHBondContact ND2-CD1 3.42Å; N478-F496 WeakPolarHBondContact ND2-CD2 3.17Å; N478-F496 WeakPolarHBondContact ND2-CE1 3.41Å; N478-F496 WeakPolarHBondContact ND2-CE2 3.49Å; N478-F496 VanDerWaalsContact ND2-CG 3.33Å; N478-F496 WeakPolarHBondContact ND2-CG 3.49Å; N478-F496 WeakPolarHBondContact ND2-CZ 3.31Å; N478-F496 PolarHBondContact ND2-O 3.2Å; F496-V521 HydrophobicContact CD2-CB 3.88Å; F496-V521 HydrophobicContact CD2-CG1 3.8Å; F496-V521 HydrophobicContact CD2-CG2 4.38Å; F496-V521 HydrophobicContact CE2-CG1 3.98Å; F496-T522 CarbonylContact C-O 3.59Å; F496-T522 WeakPolarHBondContact CA-O 3.18Å; F496-T522 VanDerWaalsContact CB-O 3.26Å; F496-T522 WeakPolarHBondContact CB-O 3.15Å; F496-H523 HydrophobicContact CB-CB 4.49Å
497	T	97.5	Very high	95.2	Very high	16 Å²	16	36.5 Å²	36.5	10%	0.098	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.9	175.4	54.2	0	0	0	0	110.1	W400 H494 V521 T522 H524 L528	W400-T497 HydrophobicContact CH2-CG2 4.2Å; W400-T497 HydrophobicContact CZ2-CG2 3.54Å; H494-T497 HydrophobicContact CB-CG2 4.25Å; T497-V521 CarbonylContact O-C 3.51Å; T497-V521 WeakPolarHBondContact O-CA 3.29Å; T497-T522 PolarHBondContact N-O 3.36Å; T497-T522 PolarHBondContact O-N 3.25Å; T497-H524 WeakPolarHBondContact CG2-NE2 3Å; T497-H524 PolarHBondContact OG1-NE2 3.11Å; T497-L528 HydrophobicContact CG2-CD1 3.89Å
498	P	96.6	Very high	95.3	Very high	12 Å²	12	35.4 Å²	35.4	8%	0.078	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	149.3	170.2	29	-35.5	0	0	0	111	F500 C514	P498-F500 HydrophobicContact CB-CE1 4.41Å; P498-F500 HydrophobicContact CG-CD1 4.22Å; P498-F500 HydrophobicContact CG-CE1 3.63Å; P498-F500 HydrophobicContact CG-CZ 4.27Å; P498-F500 PolarHBondContact O-N 3Å; P498-C514 HydrophobicContact CB-CB 3.74Å; P498-C514 HydrophobicContact CG-CB 4.31Å
499	N	96.1	Very high	95.2	Very high	60 Å²	60	34.7 Å²	34.7	32%	0.321	21%	0.211	S	C	.	.			trans	-85.6	97.5	174.8	-65	-18.3	0	0	0	108.6	Q519 H520 V521 T522	N499-Q519 PolarHBondContact ND2-O 3.37Å; N499-H520 WeakPolarHBondContact CB-O 3.34Å; N499-H520 PolarHBondContact N-O 2.72Å; N499-V521 PolarHBondContact ND2-N 2.94Å; N499-V521 PolarHBondContact ND2-O 3.48Å; N499-T522 PolarHBondContact OD1-N 3.23Å; N499-T522 PolarHBondContact OD1-OG1 2.98Å
500	F	95.9	Very high	94.9	Very high	36 Å²	36	38.1 Å²	38.1	16%	0.158	23%	0.227	C	C	.	.			trans	-63.3	141.7	179.7	-64.4	-33	0	0	0	112.4	M397 W400 P498 G507	M397-F500 HydrophobicContact CE-CE1 4.31Å; M397-F500 HydrophobicContact SD-CE1 3.59Å; M397-F500 VanDerWaalsContact SD-CE1 3.59Å; M397-F500 HydrophobicContact SD-CZ 4.04Å; W400-F500 AromaticContact CD1-CZ 3.66Å; W400-F500 AromaticContact NE1-CZ 3.37Å; P498-F500 HydrophobicContact CB-CE1 4.41Å; P498-F500 HydrophobicContact CG-CD1 4.22Å; P498-F500 HydrophobicContact CG-CE1 3.63Å; P498-F500 HydrophobicContact CG-CZ 4.27Å; P498-F500 PolarHBondContact O-N 3Å; F500-G507 WeakPolarHBondContact CA-O 3.08Å; F500-G507 WeakPolarHBondContact CB-O 3.39Å
501	F	93.3	Very high	94.4	Very high	109 Å²	109	40.2 Å²	40.2	48%	0.478	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-136.5	124.1	177.7	-173.5	-88.2	0	0	0	110.7	G507 Y509 D510	F501-G507 PolarHBondContact N-O 3.48Å; F501-Y509 WeakPolarHBondContact O-CB 3.35Å; F501-Y509 VanDerWaalsContact O-CD2 3.26Å; F501-Y509 WeakPolarHBondContact O-CD2 3.07Å; F501-Y509 PolarHBondContact O-N 3.31Å; F501-D510 HydrophobicContact CB-CB 4.19Å; F501-D510 HydrophobicContact CD1-CB 3.51Å; F501-D510 HydrophobicContact CE1-CB 4.04Å; F501-D510 HydrophobicContact CG-CB 3.9Å
502	P	94.2	Very high	93.9	Very high	66 Å²	66	46.6 Å²	46.6	43%	0.429	27%	0.265	S	S	.	.	S	Bend	cis	-67.4	160.8	-4.9	26.7	-31.7	0	0	0	112.1	G504 A505	P502-G504 PolarHBondContact O-N 3.25Å; P502-A505 HydrophobicContact CG-CB 3.99Å; P502-A505 WeakPolarHBondContact O-CB 2.96Å; P502-A505 PolarHBondContact O-N 2.57Å
503	P	92.8	Very high	93.6	Very high	118 Å²	118	48.8 Å²	48.8	77%	0.766	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	130.6	178.8	-27.8	35.5	0	0	0	112.1
504	G	87.4	Confident	93.4	Very high	79 Å²	79	48.9 Å²	48.9	81%	0.814	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-5.3	-178.1	0	0	0	0	0	115.6	P502 G506	P502-G504 PolarHBondContact O-N 3.25Å; G504-G506 VanDerWaalsContact C-N 3.31Å; G504-G506 PolarHBondContact O-N 3.49Å
505	A	88.9	Confident	93.2	Very high	40 Å²	40	50 Å²	50	33%	0.331	28%	0.284	S	S	.	.	S	Bend	trans	-72.9	-17.4	-176.9	0	0	0	0	0	114.9	P502 G507 Y509	P502-A505 HydrophobicContact CG-CB 3.99Å; P502-A505 WeakPolarHBondContact O-CB 2.96Å; P502-A505 PolarHBondContact O-N 2.57Å; A505-G507 VanDerWaalsContact C-N 3.27Å; A505-G507 PolarHBondContact O-N 3.17Å; A505-Y509 HydrophobicContact CB-CD2 4.07Å; A505-Y509 HydrophobicContact CB-CE2 3.82Å
506	G	90.8	Very high	92.9	Very high	15 Å²	15	47.5 Å²	47.5	16%	0.155	27%	0.274	C	S	.	.	S	Bend	trans	77.9	6.7	-177.7	0	0	0	0	0	115	G393 G504	G393-G506 WeakPolarHBondContact CA-O 3.33Å; G504-G506 VanDerWaalsContact C-N 3.31Å; G504-G506 PolarHBondContact O-N 3.49Å
507	G	93.5	Very high	92.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-154.2	176	177	0	0	0	0	0	113.4	E375 F500 F501 A505	E375-G507 WeakPolarHBondContact OE1-CA 3.42Å; F500-G507 WeakPolarHBondContact CA-O 3.08Å; F500-G507 WeakPolarHBondContact CB-O 3.39Å; F501-G507 PolarHBondContact N-O 3.48Å; A505-G507 VanDerWaalsContact C-N 3.27Å; A505-G507 PolarHBondContact O-N 3.17Å
508	C	94.6	Very high	92.3	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.027	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-110.2	69.9	-176.1	-58.2	0	0	0	0	111.6	E375 D510 T511 R512 C514	E375-C508 PolarHBondContact OE1-N 3.29Å; C508-D510 VanDerWaalsContact C-N 3.26Å; C508-D510 PolarHBondContact O-N 3.31Å; C508-T511 PolarHBondContact O-N 2.77Å; C508-T511 PolarHBondContact O-OG1 3.46Å; C508-R512 PolarHBondContact O-N 2.95Å; C508-R512 VanDerWaalsContact O-N 3.07Å; C508-C514 HydrophobicContact CB-CB 3.96Å; C508-C514 WeakPolarHBondContact CB-SG 3.37Å; C508-C514 WeakPolarHBondContact SG-CA 3.35Å; C508-C514 WeakPolarHBondContact SG-CB 3.21Å; C508-C514 CovalentContact SG-SG 2.04Å; C508-C514 PolarHBondContact SG-SG 2.66Å
509	Y	91.9	Very high	92.1	Very high	88 Å²	88	60 Å²	60	35%	0.345	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.5	-171.9	-66.9	-91.9	0	0	0	113.9	L374 E375 F501 A505	L374-Y509 WeakPolarHBondContact O-CE1 3.34Å; L374-Y509 PolarHBondContact O-OH 3.36Å; E375-Y509 HydrophobicContact CB-CD1 4.22Å; E375-Y509 HydrophobicContact CB-CE1 4.44Å; E375-Y509 HydrophobicContact CG-CD1 4.31Å; E375-Y509 HydrophobicContact CG-CG 4.33Å; F501-Y509 WeakPolarHBondContact O-CB 3.35Å; F501-Y509 VanDerWaalsContact O-CD2 3.26Å; F501-Y509 WeakPolarHBondContact O-CD2 3.07Å; F501-Y509 PolarHBondContact O-N 3.31Å; A505-Y509 HydrophobicContact CB-CD2 4.07Å; A505-Y509 HydrophobicContact CB-CE2 3.82Å
510	D	90.4	Very high	92	Very high	88 Å²	88	60.5 Å²	60.5	47%	0.471	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-34.6	174.9	60.7	-27.4	0	0	0	113.3	F501 C508	F501-D510 HydrophobicContact CB-CB 4.19Å; F501-D510 HydrophobicContact CD1-CB 3.51Å; F501-D510 HydrophobicContact CE1-CB 4.04Å; F501-D510 HydrophobicContact CG-CB 3.9Å; C508-D510 VanDerWaalsContact C-N 3.26Å; C508-D510 PolarHBondContact O-N 3.31Å
511	T	88.7	Confident	92.1	Very high	49 Å²	49	59.4 Å²	59.4	30%	0.301	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-1.2	-173.8	44.6	0	0	0	0	112.5	C508 V513	C508-T511 PolarHBondContact O-N 2.77Å; C508-T511 PolarHBondContact O-OG1 3.46Å; T511-V513 PolarHBondContact O-N 3.36Å; T511-V513 PolarHBondContact OG1-O 3.47Å; T511-V513 VanDerWaalsContact OG1-O 3.11Å
512	R	88.4	Confident	92.3	Very high	136 Å²	136	57.2 Å²	57.2	51%	0.513	34%	0.337	S	S	.	.	S	Bend	trans	62	-18.4	-172	-59.8	-174.3	177.4	-178.3	-0.7	115.7	S203 D204 H373 E375 C508	S203-R512 PolarHBondContact O-NH1 3.41Å; D204-R512 IonicContact OD1-NH1 2.68Å; H373-R512 PolarHBondContact NE2-O 3.29Å; E375-R512 WeakPolarHBondContact CB-O 3.22Å; C508-R512 PolarHBondContact O-N 2.95Å; C508-R512 VanDerWaalsContact O-N 3.07Å
513	V	91.7	Very high	92.4	Very high	47 Å²	47	60.5 Å²	60.5	29%	0.285	35%	0.346	S	S	.	.	S	Bend	trans	-148.3	139.2	175.9	-70.5	0	0	0	0	108.9	A396 T511 L515	A396-V513 HydrophobicContact CB-CB 4.08Å; T511-V513 PolarHBondContact O-N 3.36Å; T511-V513 PolarHBondContact OG1-O 3.47Å; T511-V513 VanDerWaalsContact OG1-O 3.11Å; V513-L515 PolarHBondContact O-N 3.27Å
514	C	94.6	Very high	92.7	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.007	32%	0.319	C	S	.	.			trans	-68	135.5	175.9	-67.7	0	0	0	0	112.2	M397 P498 C508	M397-C514 HydrophobicContact CG-CB 3.97Å; P498-C514 HydrophobicContact CB-CB 3.74Å; P498-C514 HydrophobicContact CG-CB 4.31Å; C508-C514 HydrophobicContact CB-CB 3.96Å; C508-C514 WeakPolarHBondContact CB-SG 3.37Å; C508-C514 WeakPolarHBondContact SG-CA 3.35Å; C508-C514 WeakPolarHBondContact SG-CB 3.21Å; C508-C514 CovalentContact SG-SG 2.04Å; C508-C514 PolarHBondContact SG-SG 2.66Å
515	L	93.9	Very high	93	Very high	25 Å²	25	60.7 Å²	60.7	13%	0.131	32%	0.321	C	S	.	.			trans	-92.6	157.6	176.2	-60.5	180	0	0	0	111.5	R125 V513 H520 V521	R125-L515 HydrophobicContact CB-CD2 4.07Å; V513-L515 PolarHBondContact O-N 3.27Å; L515-H520 HydrophobicContact CB-CB 3.83Å; L515-H520 HydrophobicContact CD1-CB 4.44Å; L515-H520 VanDerWaalsContact CD1-CD2 3.43Å; L515-H520 WeakPolarHBondContact CD1-CD2 3.42Å; L515-V521 VanDerWaalsContact O-CG1 3.29Å; L515-V521 WeakPolarHBondContact O-CG1 3.44Å
516	C	92.6	Very high	93.3	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.02	33%	0.329	C	S	.	.	S	Bend	trans	-99.1	0.5	-174.2	-52.5	0	0	0	0	114.7	Q127 C473 Y476 V521	Q127-C516 VanDerWaalsContact CD-SG 3.57Å; Q127-C516 PolarHBondContact NE2-SG 2.86Å; Q127-C516 PolarHBondContact OE1-SG 3.34Å; C473-C516 VanDerWaalsContact CA-SG 3.5Å; C473-C516 HydrophobicContact CB-CB 3.67Å; C473-C516 WeakPolarHBondContact CB-SG 3.5Å; C473-C516 VanDerWaalsContact SG-CA 3.59Å; C473-C516 WeakPolarHBondContact SG-CB 3.28Å; C473-C516 CovalentContact SG-SG 2.02Å; C473-C516 PolarHBondContact SG-SG 2.85Å; Y476-C516 HydrophobicContact CD2-CB 3.74Å; Y476-C516 HydrophobicContact CE2-CB 4.28Å; C516-V521 VanDerWaalsContact C-CG1 3.48Å
517	H	91.3	Very high	93.7	Very high	56 Å²	56	62.8 Å²	62.8	26%	0.259	33%	0.328	S	S	.	.	S	Bend	trans	-153.5	170.1	-169.7	68.9	77.9	0	0	0	113.5	P123 R125 Y476	P123-H517 PolarHBondContact O-CD2 2.93Å; R125-H517 PolarHBondContact N-NE2 3.37Å; Y476-H517 HydrophobicContact CE2-CB 3.86Å
518	G	91.1	Very high	93.9	Very high	56 Å²	56	63.8 Å²	63.8	58%	0.577	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	70.6	-142.7	174.1	0	0	0	0	0	112.8	H520	G518-H520 PolarHBondContact O-N 3.48Å
519	Q	92.7	Very high	94.1	Very high	184 Å²	184	63.6 Å²	63.6	86%	0.86	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-73.9	-4.3	-178	-64.7	179.4	-13.1	0	0	113.6	N499	N499-Q519 PolarHBondContact ND2-O 3.37Å
520	H	94.2	Very high	94.4	Very high	71 Å²	71	60 Å²	60	33%	0.329	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-91.5	-0.4	-177	-56.3	-76.2	0	0	0	113.6	N499 L515 G518	N499-H520 WeakPolarHBondContact CB-O 3.34Å; N499-H520 PolarHBondContact N-O 2.72Å; L515-H520 HydrophobicContact CB-CB 3.83Å; L515-H520 HydrophobicContact CD1-CB 4.44Å; L515-H520 VanDerWaalsContact CD1-CD2 3.43Å; L515-H520 WeakPolarHBondContact CD1-CD2 3.42Å; G518-H520 PolarHBondContact O-N 3.48Å
521	V	96.5	Very high	94.8	Very high	12 Å²	12	56.3 Å²	56.3	7%	0.073	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	155	179.5	-61.2	0	0	0	0	111.5	F496 T497 N499 L515 C516	F496-V521 HydrophobicContact CD2-CB 3.88Å; F496-V521 HydrophobicContact CD2-CG1 3.8Å; F496-V521 HydrophobicContact CD2-CG2 4.38Å; F496-V521 HydrophobicContact CE2-CG1 3.98Å; T497-V521 CarbonylContact O-C 3.51Å; T497-V521 WeakPolarHBondContact O-CA 3.29Å; N499-V521 PolarHBondContact ND2-N 2.94Å; N499-V521 PolarHBondContact ND2-O 3.48Å; L515-V521 VanDerWaalsContact O-CG1 3.29Å; L515-V521 WeakPolarHBondContact O-CG1 3.44Å; C516-V521 VanDerWaalsContact C-CG1 3.48Å
522	T	97.3	Very high	95.2	Very high	63 Å²	63	54.1 Å²	54.1	39%	0.387	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.2	170.1	-63.9	0	0	0	0	108.9	F496 T497 N499 H524	F496-T522 CarbonylContact C-O 3.59Å; F496-T522 WeakPolarHBondContact CA-O 3.18Å; F496-T522 VanDerWaalsContact CB-O 3.26Å; F496-T522 WeakPolarHBondContact CB-O 3.15Å; T497-T522 PolarHBondContact N-O 3.36Å; T497-T522 PolarHBondContact O-N 3.25Å; N499-T522 PolarHBondContact OD1-N 3.23Å; N499-T522 PolarHBondContact OD1-OG1 2.98Å; T522-H524 PolarHBondContact O-NE2 2.95Å
523	H	97.8	Very high	95.6	Very high	135 Å²	135	52.8 Å²	52.8	63%	0.625	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	144.6	174.9	-73.4	-90.3	0	0	0	111.3	F496	F496-H523 HydrophobicContact CB-CB 4.49Å
524	H	97.7	Very high	95.8	Very high	41 Å²	41	57.1 Å²	57.1	19%	0.19	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.9	-173.7	-57.1	-63.1	0	0	0	111.1	F495 T497 T522 P526 L528	F495-H524 PolarHBondContact O-N 2.04Å; T497-H524 WeakPolarHBondContact CG2-NE2 3Å; T497-H524 PolarHBondContact OG1-NE2 3.11Å; T522-H524 PolarHBondContact O-NE2 2.95Å; H524-P526 CarbonylContact C-O 3.55Å; H524-L528 HydrophobicContact CB-CD2 4.26Å; H524-L528 HydrophobicContact CB-CG 4.13Å
525	N	95.5	Very high	95.9	Very high	161 Å²	161	57.7 Å²	57.7	86%	0.861	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.7	106.9	172.8	-172.4	12.5	0	0	0	110.1
526	P	95.2	Very high	96.1	Very high	76 Å²	76	58.4 Å²	58.4	49%	0.494	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-65	156.4	0.7	29.4	-35.9	0	0	0	112.4	H524 L554	H524-P526 CarbonylContact C-O 3.55Å; P526-L554 HydrophobicContact CB-CD1 4.34Å
527	P	97.6	Very high	96.3	Very high	22 Å²	22	59.9 Å²	59.9	14%	0.143	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	152.8	175.5	-27.6	37.6	0	0	0	113.2	V493 H494 F495 Y550	V493-P527 HydrophobicContact CG1-CB 3.3Å; V493-P527 HydrophobicContact CG1-CG 4.04Å; H494-P527 WeakPolarHBondContact O-CA 3.29Å; H494-P527 WeakPolarHBondContact O-CB 3.26Å; F495-P527 HydrophobicContact CD1-CB 4.23Å; F495-P527 HydrophobicContact CD1-CG 3.82Å; F495-P527 HydrophobicContact CE1-CG 4.01Å; P527-Y550 PolarHBondContact O-OH 2.87Å
528	L	98.3	Very high	96.5	Very high	21 Å²	21	57.2 Å²	57.2	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.9	172.2	-47.1	179.2	0	0	0	109.1	V493 H494 T497 H524 Y530	V493-L528 CarbonylContact C-O 3.43Å; V493-L528 VanDerWaalsContact CA-O 3.22Å; V493-L528 WeakPolarHBondContact CA-O 3.29Å; H494-L528 HydrophobicContact CB-CB 4.17Å; H494-L528 PolarHBondContact N-O 3.27Å; H494-L528 PolarHBondContact O-N 3.27Å; H494-L528 VanDerWaalsContact O-N 3.08Å; T497-L528 HydrophobicContact CG2-CD1 3.89Å; H524-L528 HydrophobicContact CB-CD2 4.26Å; H524-L528 HydrophobicContact CB-CG 4.13Å; L528-Y530 HydrophobicContact CB-CE2 3.79Å; L528-Y530 HydrophobicContact CD1-CE2 4.48Å
529	L	98.5	Very high	96.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.9	-178.8	176.9	64.2	0	0	0	110.2	F491 K492 V493 L542 Y550 I553	F491-L529 HydrophobicContact CB-CD1 4.07Å; F491-L529 HydrophobicContact CD1-CD1 4.29Å; K492-L529 WeakPolarHBondContact O-CA 3.41Å; V493-L529 HydrophobicContact CG2-CD1 3.6Å; L529-L542 HydrophobicContact CB-CB 4.31Å; L529-L542 HydrophobicContact CD2-CB 4.07Å; L529-L542 HydrophobicContact CD2-CD1 4.32Å; L529-L542 HydrophobicContact CG-CB 4.03Å; L529-L542 HydrophobicContact CG-CD1 4.19Å; L529-L542 PolarHBondContact O-N 2.8Å; L529-Y550 HydrophobicContact CB-CE2 3.97Å; L529-Y550 HydrophobicContact CD2-CD2 3.53Å; L529-Y550 HydrophobicContact CD2-CE2 3.78Å; L529-Y550 HydrophobicContact CD2-CG 4.36Å; L529-I553 HydrophobicContact CD1-CG2 3.76Å; L529-I553 HydrophobicContact CD2-CD1 4.09Å; L529-I553 HydrophobicContact CD2-CG2 4.18Å
530	Y	98.5	Very high	96.9	Very high	13 Å²	13	58.6 Å²	58.6	5%	0.051	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.6	175.6	-57.2	-90.1	0	0	0	110	W400 F491 K492 H494 L528 E538 Q541	W400-Y530 HydrophobicContact CH2-CE2 4.32Å; W400-Y530 HydrophobicContact CZ3-CE2 4.18Å; F491-Y530 CarbonylContact C-O 3.43Å; F491-Y530 VanDerWaalsContact CA-O 3.31Å; F491-Y530 WeakPolarHBondContact CA-O 3.3Å; K492-Y530 PolarHBondContact N-O 3.41Å; K492-Y530 PolarHBondContact O-N 3.07Å; H494-Y530 AromaticContact CD2-CD2 3.68Å; H494-Y530 AromaticContact CD2-CE2 3.66Å; H494-Y530 AromaticContact NE2-CD2 3.86Å; H494-Y530 AromaticContact NE2-CE2 3.91Å; L528-Y530 HydrophobicContact CB-CE2 3.79Å; L528-Y530 HydrophobicContact CD1-CE2 4.48Å; Y530-E538 HydrophobicContact CD1-CB 4Å; Y530-E538 HydrophobicContact CD2-CB 4.48Å; Y530-E538 HydrophobicContact CE1-CB 4.22Å; Y530-E538 WeakPolarHBondContact CE1-O 3.34Å; Y530-E538 HydrophobicContact CG-CB 4.13Å; Y530-E538 HydrophobicContact CG-CG 4.45Å; Y530-Q541 HydrophobicContact CE1-CB 4.05Å
531	D	98	Very high	97	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.053	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	103.1	166.4	-179.8	7.4	0	0	0	109.5	S489 I490 F491 F533 H534 D535 L542	S489-D531 WeakPolarHBondContact CA-OD1 3.45Å; S489-D531 WeakPolarHBondContact CB-OD1 3.42Å; S489-D531 WeakPolarHBondContact CB-OD2 3.06Å; S489-D531 PolarHBondContact OG-OD2 3.47Å; I490-D531 PolarHBondContact N-OD1 3.09Å; I490-D531 CarbonylContact O-C 3.54Å; F491-D531 HydrophobicContact CD1-CB 4.12Å; F491-D531 HydrophobicContact CE1-CB 4.07Å; D531-F533 PolarHBondContact O-N 2.85Å; D531-F533 WeakPolarHBondContact OD1-CB 3.47Å; D531-F533 PolarHBondContact OD1-N 2.82Å; D531-F533 VanDerWaalsContact OD1-N 3.11Å; D531-H534 PolarHBondContact O-N 3.42Å; D531-H534 IonicContact OD2-CE1 3.44Å; D531-H534 IonicContact OD2-CG 3.83Å; D531-H534 IonicContact OD2-ND1 3.22Å; D531-H534 PolarHBondContact OD2-ND1 3Å; D531-D535 PolarHBondContact O-N 2.93Å; D531-L542 HydrophobicContact CB-CD1 3.94Å
532	L	97.9	Very high	97.1	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.021	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19	-175.9	-59.9	-177.1	0	0	0	113.6	E401 I490 K492 E538	E401-L532 HydrophobicContact CG-CD1 4.28Å; E401-L532 HydrophobicContact CG-CD2 3.99Å; I490-L532 HydrophobicContact CB-CB 4.15Å; I490-L532 HydrophobicContact CG2-CB 4.19Å; I490-L532 HydrophobicContact CG2-CD1 3.98Å; I490-L532 HydrophobicContact CG2-CG 4.39Å; I490-L532 PolarHBondContact O-N 3.08Å; K492-L532 HydrophobicContact CB-CD1 4.14Å; K492-L532 HydrophobicContact CB-CD2 4.35Å; K492-L532 HydrophobicContact CB-CG 4.06Å; K492-L532 HydrophobicContact CD-CD1 3.79Å; K492-L532 HydrophobicContact CD-CD2 4.24Å; K492-L532 HydrophobicContact CD-CG 4.33Å; L532-E538 HydrophobicContact CD2-CG 3.44Å; L532-E538 VanDerWaalsContact CD2-CG 3.44Å
533	F	96.7	Very high	97	Very high	107 Å²	107	59.2 Å²	59.2	47%	0.469	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-39.8	176	-176.8	-96.2	0	0	0	111.1	N488 D531	N488-F533 HydrophobicContact CB-CD2 4.01Å; N488-F533 HydrophobicContact CB-CE1 4.29Å; N488-F533 HydrophobicContact CB-CE2 3.77Å; N488-F533 HydrophobicContact CB-CG 4.38Å; N488-F533 HydrophobicContact CB-CZ 3.92Å; N488-F533 WeakPolarHBondContact O-CB 3.26Å; N488-F533 WeakPolarHBondContact O-CD2 3.33Å; N488-F533 WeakPolarHBondContact O-CG 3.1Å; D531-F533 PolarHBondContact O-N 2.85Å; D531-F533 WeakPolarHBondContact OD1-CB 3.47Å; D531-F533 PolarHBondContact OD1-N 2.82Å; D531-F533 VanDerWaalsContact OD1-N 3.11Å
534	H	96.2	Very high	96.9	Very high	138 Å²	138	56.6 Å²	56.6	64%	0.639	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-25.4	179.5	-63.3	103.7	0	0	0	113.3	D531	D531-H534 PolarHBondContact O-N 3.42Å; D531-H534 IonicContact OD2-CE1 3.44Å; D531-H534 IonicContact OD2-CG 3.83Å; D531-H534 IonicContact OD2-ND1 3.22Å; D531-H534 PolarHBondContact OD2-ND1 3Å
535	D	97.5	Very high	96.8	Very high	14 Å²	14	62.3 Å²	62.3	8%	0.075	32%	0.322	C	S	.	.			trans	-135.5	71.5	-176.9	-179.7	42	0	0	0	111.3	D531 S537 E538 S539 R540	D531-D535 PolarHBondContact O-N 2.93Å; D535-S537 PolarHBondContact O-N 2.71Å; D535-S537 PolarHBondContact OD1-OG 2.95Å; D535-S537 VanDerWaalsContact OD1-OG 3.07Å; D535-E538 PolarHBondContact O-N 2.68Å; D535-E538 VanDerWaalsContact O-N 3.11Å; D535-E538 VanDerWaalsContact OD2-CA 3.31Å; D535-E538 WeakPolarHBondContact OD2-CA 3.14Å; D535-S539 PolarHBondContact OD1-N 2.95Å; D535-S539 PolarHBondContact OD1-OG 3.28Å; D535-S539 PolarHBondContact OD2-N 2.9Å; D535-R540 PolarHBondContact OD2-N 3.37Å
536	P	96.7	Very high	96.8	Very high	40 Å²	40	58.7 Å²	58.7	26%	0.26	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.6	179.3	25.3	-35.3	0	0	0	113.7	I390 Y391 E538	I390-P536 HydrophobicContact CD1-CB 4.09Å; I390-P536 HydrophobicContact CD1-CG 3.75Å; Y391-P536 WeakPolarHBondContact CD1-O 3.46Å; Y391-P536 HydrophobicContact CE1-CB 4.08Å; P536-E538 VanDerWaalsContact C-N 3.31Å
537	S	96.3	Very high	96.9	Very high	34 Å²	34	56.6 Å²	56.6	24%	0.238	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-4.8	177	60.6	0	0	0	0	113.7	I390 K392 D535 S539	I390-S537 VanDerWaalsContact O-CA 3.31Å; I390-S537 WeakPolarHBondContact O-CA 3.43Å; I390-S537 WeakPolarHBondContact O-CB 3.03Å; K392-S537 WeakPolarHBondContact CB-O 3.33Å; D535-S537 PolarHBondContact O-N 2.71Å; D535-S537 PolarHBondContact OD1-OG 2.95Å; D535-S537 VanDerWaalsContact OD1-OG 3.07Å; S537-S539 PolarHBondContact O-N 2.97Å; S537-S539 WeakPolarHBondContact OG-CB 3.38Å; S537-S539 PolarHBondContact OG-OG 2.95Å; S537-S539 VanDerWaalsContact OG-OG 3.1Å
538	E	96.6	Very high	96.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.322	C	S	.	.			trans	51.3	45.6	-177.3	-53.6	177.3	97.9	0	0	111.8	W400 E401 K492 H494 Y530 L532 D535 P536	W400-E538 HydrophobicContact CE3-CB 3.92Å; W400-E538 HydrophobicContact CE3-CG 4.4Å; W400-E538 HydrophobicContact CZ3-CB 3.62Å; W400-E538 HydrophobicContact CZ3-CG 4.44Å; E401-E538 HydrophobicContact CG-CG 4.29Å; E401-E538 WeakPolarHBondContact CG-OE2 3.36Å; E401-E538 PolarHBondContact N-OE2 2.95Å; K492-E538 VanDerWaalsContact CD-OE1 3.32Å; K492-E538 WeakPolarHBondContact CD-OE1 3.17Å; K492-E538 VanDerWaalsContact CE-OE1 3.31Å; K492-E538 WeakPolarHBondContact CE-OE1 3.48Å; K492-E538 IonicContact NZ-OE1 3.82Å; K492-E538 PolarHBondContact NZ-OE1 3.44Å; K492-E538 IonicContact NZ-OE2 3.73Å; K492-E538 PolarHBondContact NZ-OE2 3.12Å; H494-E538 IonicContact CD2-OE1 3.34Å; H494-E538 IonicContact CE1-OE1 3.68Å; H494-E538 PolarHBondContact CE1-OE1 3.25Å; H494-E538 IonicContact NE2-OE1 3.31Å; H494-E538 PolarHBondContact NE2-OE1 3.25Å; Y530-E538 HydrophobicContact CD1-CB 4Å; Y530-E538 HydrophobicContact CD2-CB 4.48Å; Y530-E538 HydrophobicContact CE1-CB 4.22Å; Y530-E538 WeakPolarHBondContact CE1-O 3.34Å; Y530-E538 HydrophobicContact CG-CB 4.13Å; Y530-E538 HydrophobicContact CG-CG 4.45Å; L532-E538 HydrophobicContact CD2-CG 3.44Å; L532-E538 VanDerWaalsContact CD2-CG 3.44Å; D535-E538 PolarHBondContact O-N 2.68Å; D535-E538 VanDerWaalsContact O-N 3.11Å; D535-E538 VanDerWaalsContact OD2-CA 3.31Å; D535-E538 WeakPolarHBondContact OD2-CA 3.14Å; P536-E538 VanDerWaalsContact C-N 3.31Å
539	S	95.2	Very high	96.6	Very high	77 Å²	77	64.8 Å²	64.8	54%	0.538	33%	0.333	S	S	.	.			trans	-100	-20.8	-175.4	68.7	0	0	0	0	113.3	D535 S537	D535-S539 PolarHBondContact OD1-N 2.95Å; D535-S539 PolarHBondContact OD1-OG 3.28Å; D535-S539 PolarHBondContact OD2-N 2.9Å; S537-S539 PolarHBondContact O-N 2.97Å; S537-S539 WeakPolarHBondContact OG-CB 3.38Å; S537-S539 PolarHBondContact OG-OG 2.95Å; S537-S539 VanDerWaalsContact OG-OG 3.1Å
540	R	95.9	Very high	96.5	Very high	191 Å²	191	65.7 Å²	65.7	72%	0.721	34%	0.336	S	S	*	.	S	Bend	trans	-123.3	97.6	-175.3	-62.2	-178.8	-170.8	-176	3.2	110	D535	D535-R540 PolarHBondContact OD2-N 3.37Å
541	Q	96.9	Very high	96.4	Very high	88 Å²	88	68.7 Å²	68.7	41%	0.411	36%	0.364	S	S	.	.			trans	-65	135.6	175.2	178.2	179.1	-7	0	0	111.2	Y530	Y530-Q541 HydrophobicContact CE1-CB 4.05Å
542	L	97.9	Very high	96.4	Very high	30 Å²	30	71.8 Å²	71.8	16%	0.157	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-83.1	142.6	168.6	-59.5	-179.1	0	0	0	110.7	F491 L529 D531 E547 Y550	F491-L542 HydrophobicContact CD1-CD1 4.3Å; F491-L542 HydrophobicContact CE1-CD1 4.15Å; L529-L542 HydrophobicContact CB-CB 4.31Å; L529-L542 HydrophobicContact CD2-CB 4.07Å; L529-L542 HydrophobicContact CD2-CD1 4.32Å; L529-L542 HydrophobicContact CG-CB 4.03Å; L529-L542 HydrophobicContact CG-CD1 4.19Å; L529-L542 PolarHBondContact O-N 2.8Å; D531-L542 HydrophobicContact CB-CD1 3.94Å; L542-E547 HydrophobicContact CB-CB 4.14Å; L542-E547 HydrophobicContact CD1-CB 4.27Å; L542-E547 HydrophobicContact CD1-CG 4.31Å; L542-Y550 WeakPolarHBondContact O-CE2 3.5Å
543	T	96.6	Very high	96.3	Very high	41 Å²	41	71.6 Å²	71.6	25%	0.252	38%	0.377	S	S	.	.			trans	-131.9	167.4	-178.7	72.7	0	0	0	0	109.4	E545 T546 E547	T543-E545 WeakPolarHBondContact CB-OE2 3.36Å; T543-E545 PolarHBondContact O-N 3.33Å; T543-E545 VanDerWaalsContact O-N 3.1Å; T543-E545 PolarHBondContact OG1-N 2.88Å; T543-E545 PolarHBondContact OG1-OE2 3.47Å; T543-T546 PolarHBondContact N-OG1 3.43Å; T543-T546 PolarHBondContact O-N 2.87Å; T543-T546 PolarHBondContact O-OG1 3.37Å; T543-T546 PolarHBondContact OG1-N 3.17Å; T543-T546 PolarHBondContact OG1-OG1 3.06Å; T543-E547 PolarHBondContact O-N 3.39Å
544	P	95.9	Very high	96.4	Very high	81 Å²	81	68.2 Å²	68.2	53%	0.526	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-26.1	175.1	-26.1	35.8	0	0	0	114.1	Y550	P544-Y550 HydrophobicContact CG-CD1 3.83Å; P544-Y550 HydrophobicContact CG-CE1 3.97Å; P544-Y550 HydrophobicContact CG-CG 4.18Å
545	E	95.4	Very high	96.5	Very high	160 Å²	160	66.8 Å²	66.8	75%	0.748	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-29.5	177.7	-56.3	73.4	-155.4	0	0	112.9	T543	T543-E545 WeakPolarHBondContact CB-OE2 3.36Å; T543-E545 PolarHBondContact O-N 3.33Å; T543-E545 VanDerWaalsContact O-N 3.1Å; T543-E545 PolarHBondContact OG1-N 2.88Å; T543-E545 PolarHBondContact OG1-OE2 3.47Å
546	T	95.4	Very high	96.5	Very high	85 Å²	85	69.1 Å²	69.1	52%	0.521	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-19.8	-175.6	57.3	0	0	0	0	113.6	T543	T543-T546 PolarHBondContact N-OG1 3.43Å; T543-T546 PolarHBondContact O-N 2.87Å; T543-T546 PolarHBondContact O-OG1 3.37Å; T543-T546 PolarHBondContact OG1-N 3.17Å; T543-T546 PolarHBondContact OG1-OG1 3.06Å
547	E	96.3	Very high	96.6	Very high	33 Å²	33	67.4 Å²	67.4	15%	0.154	36%	0.356	C	S	.	.			trans	-129.6	104.4	179	177.5	48.6	-103.2	0	0	111	L542 T543 R549 Y550 I553	L542-E547 HydrophobicContact CB-CB 4.14Å; L542-E547 HydrophobicContact CD1-CB 4.27Å; L542-E547 HydrophobicContact CD1-CG 4.31Å; T543-E547 PolarHBondContact O-N 3.39Å; E547-R549 PolarHBondContact O-N 3.43Å; E547-R549 VanDerWaalsContact O-N 3.15Å; E547-R549 VanDerWaalsContact OE1-CB 3.31Å; E547-R549 WeakPolarHBondContact OE1-CB 3.27Å; E547-R549 PolarHBondContact OE1-N 2.89Å; E547-Y550 WeakPolarHBondContact O-CB 3.31Å; E547-Y550 PolarHBondContact O-N 2.92Å; E547-I553 HydrophobicContact CG-CD1 3.75Å
548	P	95	Very high	96.6	Very high	127 Å²	127	67.9 Å²	67.9	83%	0.825	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28	179	-25.7	34.9	0	0	0	114.3	Y550	P548-Y550 VanDerWaalsContact C-N 3.31Å
549	R	94.9	Very high	96.7	Very high	87 Å²	87	72.7 Å²	72.7	33%	0.328	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	9.3	179.2	-58.8	176.9	64.6	-161.6	-1.3	113.2	E547 A551 E552 I553	E547-R549 PolarHBondContact O-N 3.43Å; E547-R549 VanDerWaalsContact O-N 3.15Å; E547-R549 VanDerWaalsContact OE1-CB 3.31Å; E547-R549 WeakPolarHBondContact OE1-CB 3.27Å; E547-R549 PolarHBondContact OE1-N 2.89Å; R549-A551 VanDerWaalsContact C-N 3.32Å; R549-A551 PolarHBondContact O-N 3.38Å; R549-E552 HydrophobicContact CB-CB 4.48Å; R549-E552 IonicContact CZ-OE1 3.43Å; R549-E552 IonicContact CZ-OE2 3.98Å; R549-E552 IonicContact NE-OE1 3.89Å; R549-E552 IonicContact NE-OE2 3.25Å; R549-E552 PolarHBondContact NE-OE2 2.79Å; R549-E552 IonicContact NH2-OE1 2.88Å; R549-E552 PolarHBondContact NH2-OE1 2.94Å; R549-E552 IonicContact NH2-OE2 2.65Å; R549-E552 WeakPolarHBondContact O-CB 3.34Å; R549-E552 PolarHBondContact O-N 3.22Å; R549-I553 HydrophobicContact CB-CD1 3.99Å; R549-I553 HydrophobicContact CB-CG1 4.23Å; R549-I553 WeakPolarHBondContact O-CD1 3.47Å; R549-I553 VanDerWaalsContact O-CG1 3.31Å; R549-I553 WeakPolarHBondContact O-CG1 3.44Å; R549-I553 PolarHBondContact O-N 3.16Å
550	Y	96.9	Very high	96.9	Very high	19 Å²	19	69.5 Å²	69.5	8%	0.075	36%	0.362	C	S	.	.	H	α-helix	trans	-49.8	-49.6	-173.9	-175.1	-87.1	0	0	0	112.8	P527 L529 L542 P544 E547 P548 I553 L554	P527-Y550 PolarHBondContact O-OH 2.87Å; L529-Y550 HydrophobicContact CB-CE2 3.97Å; L529-Y550 HydrophobicContact CD2-CD2 3.53Å; L529-Y550 HydrophobicContact CD2-CE2 3.78Å; L529-Y550 HydrophobicContact CD2-CG 4.36Å; L542-Y550 WeakPolarHBondContact O-CE2 3.5Å; P544-Y550 HydrophobicContact CG-CD1 3.83Å; P544-Y550 HydrophobicContact CG-CE1 3.97Å; P544-Y550 HydrophobicContact CG-CG 4.18Å; E547-Y550 WeakPolarHBondContact O-CB 3.31Å; E547-Y550 PolarHBondContact O-N 2.92Å; P548-Y550 VanDerWaalsContact C-N 3.31Å; Y550-I553 PolarHBondContact O-N 3.02Å; Y550-L554 HydrophobicContact CD1-CD1 3.97Å; Y550-L554 HydrophobicContact CD1-CG 4.48Å; Y550-L554 HydrophobicContact CE1-CD1 3.35Å; Y550-L554 HydrophobicContact CE1-CG 4.2Å; Y550-L554 WeakPolarHBondContact O-CG 3.15Å; Y550-L554 PolarHBondContact O-N 3.4Å; Y550-L554 VanDerWaalsContact O-N 3.14Å
551	A	96.8	Very high	97	Very high	76 Å²	76	61 Å²	61	63%	0.628	33%	0.331	S	S	*	.	H	α-helix	trans	-67.1	-37.8	179.8	0	0	0	0	0	113.1	R549 Q555	R549-A551 VanDerWaalsContact C-N 3.32Å; R549-A551 PolarHBondContact O-N 3.38Å; A551-Q555 WeakPolarHBondContact O-CB 3.39Å; A551-Q555 PolarHBondContact O-N 3.42Å
552	E	96.4	Very high	97	Very high	75 Å²	75	63.3 Å²	63.3	35%	0.35	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-47.4	176.7	-175.1	-156.3	148.9	0	0	110.5	R549 L554 Q555 Q556	R549-E552 HydrophobicContact CB-CB 4.48Å; R549-E552 IonicContact CZ-OE1 3.43Å; R549-E552 IonicContact CZ-OE2 3.98Å; R549-E552 IonicContact NE-OE1 3.89Å; R549-E552 IonicContact NE-OE2 3.25Å; R549-E552 PolarHBondContact NE-OE2 2.79Å; R549-E552 IonicContact NH2-OE1 2.88Å; R549-E552 PolarHBondContact NH2-OE1 2.94Å; R549-E552 IonicContact NH2-OE2 2.65Å; R549-E552 WeakPolarHBondContact O-CB 3.34Å; R549-E552 PolarHBondContact O-N 3.22Å; E552-L554 PolarHBondContact O-N 3.29Å; E552-Q555 PolarHBondContact O-N 3.03Å; E552-Q555 VanDerWaalsContact O-N 3.16Å; E552-Q556 WeakPolarHBondContact O-CG 3.36Å; E552-Q556 PolarHBondContact O-N 2.97Å
553	I	97.6	Very high	96.9	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-57.1	-51.2	179.2	-66.7	158.9	0	0	0	110.4	W482 F491 L529 E547 R549 Y550 Q555 Q556 I557	W482-I553 HydrophobicContact CE3-CG1 4.43Å; W482-I553 HydrophobicContact CE3-CG2 4.14Å; W482-I553 HydrophobicContact CZ3-CB 4.21Å; W482-I553 HydrophobicContact CZ3-CG1 3.89Å; W482-I553 HydrophobicContact CZ3-CG2 4.34Å; F491-I553 HydrophobicContact CB-CG2 3.94Å; F491-I553 HydrophobicContact CD1-CD1 3.77Å; F491-I553 HydrophobicContact CD2-CD1 4.03Å; F491-I553 HydrophobicContact CD2-CG1 3.99Å; F491-I553 HydrophobicContact CD2-CG2 4.37Å; F491-I553 HydrophobicContact CE1-CD1 3.56Å; F491-I553 HydrophobicContact CE2-CD1 3.83Å; F491-I553 HydrophobicContact CE2-CG1 4.01Å; F491-I553 HydrophobicContact CG-CD1 4Å; F491-I553 HydrophobicContact CG-CG1 4.24Å; F491-I553 HydrophobicContact CG-CG2 4.05Å; F491-I553 HydrophobicContact CZ-CD1 3.6Å; F491-I553 HydrophobicContact CZ-CG1 4.29Å; L529-I553 HydrophobicContact CD1-CG2 3.76Å; L529-I553 HydrophobicContact CD2-CD1 4.09Å; L529-I553 HydrophobicContact CD2-CG2 4.18Å; E547-I553 HydrophobicContact CG-CD1 3.75Å; R549-I553 HydrophobicContact CB-CD1 3.99Å; R549-I553 HydrophobicContact CB-CG1 4.23Å; R549-I553 WeakPolarHBondContact O-CD1 3.47Å; R549-I553 VanDerWaalsContact O-CG1 3.31Å; R549-I553 WeakPolarHBondContact O-CG1 3.44Å; R549-I553 PolarHBondContact O-N 3.16Å; Y550-I553 PolarHBondContact O-N 3.02Å; I553-Q555 VanDerWaalsContact C-N 3.29Å; I553-Q555 PolarHBondContact O-N 3.47Å; I553-Q556 PolarHBondContact O-N 3.48Å; I553-I557 HydrophobicContact CG2-CD1 3.89Å; I553-I557 WeakPolarHBondContact O-CB 3.45Å; I553-I557 WeakPolarHBondContact O-CG1 3.14Å; I553-I557 PolarHBondContact O-N 3.36Å
554	L	97.8	Very high	96.9	Very high	37 Å²	37	68.3 Å²	68.3	19%	0.194	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-37.3	178.8	-66.9	-172.5	0	0	0	112.1	V493 P526 Y550 E552 A558	V493-L554 HydrophobicContact CG1-CD2 4.38Å; V493-L554 HydrophobicContact CG2-CD2 3.74Å; P526-L554 HydrophobicContact CB-CD1 4.34Å; Y550-L554 HydrophobicContact CD1-CD1 3.97Å; Y550-L554 HydrophobicContact CD1-CG 4.48Å; Y550-L554 HydrophobicContact CE1-CD1 3.35Å; Y550-L554 HydrophobicContact CE1-CG 4.2Å; Y550-L554 WeakPolarHBondContact O-CG 3.15Å; Y550-L554 PolarHBondContact O-N 3.4Å; Y550-L554 VanDerWaalsContact O-N 3.14Å; E552-L554 PolarHBondContact O-N 3.29Å; L554-A558 VanDerWaalsContact O-CB 3.31Å; L554-A558 WeakPolarHBondContact O-CB 3.26Å; L554-A558 PolarHBondContact O-N 2.98Å
555	Q	97.8	Very high	96.8	Very high	108 Å²	108	70.2 Å²	70.2	51%	0.505	36%	0.359	S	S	.	.	H	α-helix	trans	-67	-42.7	177.6	-168.9	-173.5	28.1	0	0	112.4	A551 E552 I553 A558 K559	A551-Q555 WeakPolarHBondContact O-CB 3.39Å; A551-Q555 PolarHBondContact O-N 3.42Å; E552-Q555 PolarHBondContact O-N 3.03Å; E552-Q555 VanDerWaalsContact O-N 3.16Å; I553-Q555 VanDerWaalsContact C-N 3.29Å; I553-Q555 PolarHBondContact O-N 3.47Å; Q555-A558 PolarHBondContact O-N 3.48Å; Q555-K559 WeakPolarHBondContact O-CG 3.3Å; Q555-K559 PolarHBondContact O-N 2.92Å; Q555-K559 VanDerWaalsContact O-N 3.11Å
556	Q	98.1	Very high	96.7	Very high	63 Å²	63	67 Å²	67	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-65.7	-43.7	178	-67.6	-60.8	-13.8	0	0	111.3	W482 E552 I553 A558 K559 A560	W482-Q556 HydrophobicContact CE3-CB 4.46Å; W482-Q556 HydrophobicContact CH2-CB 3.95Å; W482-Q556 HydrophobicContact CH2-CG 3.78Å; W482-Q556 HydrophobicContact CZ2-CB 4.05Å; W482-Q556 HydrophobicContact CZ2-CG 4.05Å; W482-Q556 HydrophobicContact CZ3-CB 4.16Å; W482-Q556 HydrophobicContact CZ3-CG 4.35Å; E552-Q556 WeakPolarHBondContact O-CG 3.36Å; E552-Q556 PolarHBondContact O-N 2.97Å; I553-Q556 PolarHBondContact O-N 3.48Å; Q556-A558 PolarHBondContact O-N 3.29Å; Q556-K559 PolarHBondContact O-N 2.95Å; Q556-A560 PolarHBondContact O-N 3.44Å
557	I	98.1	Very high	96.5	Very high	3 Å²	3	65 Å²	65	2%	0.015	34%	0.342	C	S	.	.	H	α-helix	trans	-62.7	-42.6	176	-73.2	171.5	0	0	0	111	F468 V480 W482 V493 F495 I553 K559 A560 V561	F468-I557 HydrophobicContact CE1-CG1 4.16Å; V480-I557 HydrophobicContact CB-CG2 3.91Å; V480-I557 HydrophobicContact CG1-CG1 4.36Å; V480-I557 HydrophobicContact CG1-CG2 3.89Å; V480-I557 HydrophobicContact CG2-CG2 4.42Å; W482-I557 HydrophobicContact CB-CD1 4.05Å; W482-I557 HydrophobicContact CB-CG1 3.94Å; W482-I557 HydrophobicContact CG-CG1 4.49Å; V493-I557 HydrophobicContact CB-CD1 3.97Å; V493-I557 HydrophobicContact CB-CG2 4.41Å; V493-I557 HydrophobicContact CG2-CD1 3.32Å; F495-I557 HydrophobicContact CZ-CG2 4.35Å; I553-I557 HydrophobicContact CG2-CD1 3.89Å; I553-I557 WeakPolarHBondContact O-CB 3.45Å; I553-I557 WeakPolarHBondContact O-CG1 3.14Å; I553-I557 PolarHBondContact O-N 3.36Å; I557-K559 PolarHBondContact O-N 3.18Å; I557-A560 PolarHBondContact O-N 3.45Å; I557-V561 HydrophobicContact CG2-CG2 4.32Å; I557-V561 VanDerWaalsContact O-CG2 3.29Å; I557-V561 WeakPolarHBondContact O-CG2 3.42Å; I557-V561 PolarHBondContact O-N 2.92Å
558	A	97.9	Very high	96	Very high	45 Å²	45	65.4 Å²	65.4	37%	0.372	34%	0.343	S	S	.	.	H	α-helix	trans	-58.5	-46.3	176.4	0	0	0	0	0	112	L554 Q555 Q556 A560 V561 E562	L554-A558 VanDerWaalsContact O-CB 3.31Å; L554-A558 WeakPolarHBondContact O-CB 3.26Å; L554-A558 PolarHBondContact O-N 2.98Å; Q555-A558 PolarHBondContact O-N 3.48Å; Q556-A558 PolarHBondContact O-N 3.29Å; A558-A560 PolarHBondContact O-N 2.94Å; A558-V561 PolarHBondContact O-N 2.95Å; A558-E562 PolarHBondContact O-N 3.45Å
559	K	98.2	Very high	94.8	Very high	100 Å²	100	62.7 Å²	62.7	44%	0.435	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-43.2	175.6	-70.7	171.4	-177.6	170.5	0	112.2	Q555 Q556 I557 V561 E562 K563	Q555-K559 WeakPolarHBondContact O-CG 3.3Å; Q555-K559 PolarHBondContact O-N 2.92Å; Q555-K559 VanDerWaalsContact O-N 3.11Å; Q556-K559 PolarHBondContact O-N 2.95Å; I557-K559 PolarHBondContact O-N 3.18Å; K559-V561 VanDerWaalsContact C-N 3.34Å; K559-E562 PolarHBondContact O-N 3.43Å; K559-K563 WeakPolarHBondContact O-CB 3.28Å; K559-K563 PolarHBondContact O-N 2.78Å
560	A	98.3	Very high	92.9	Very high	11 Å²	11	63.2 Å²	63.2	9%	0.091	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-38.8	177.8	0	0	0	0	0	112	F468 F470 Q556 I557 A558 K563 H564	F468-A560 HydrophobicContact CD1-CB 3.42Å; F468-A560 VanDerWaalsContact CD1-CB 3.42Å; F468-A560 HydrophobicContact CD2-CB 4Å; F468-A560 HydrophobicContact CE1-CB 3.35Å; F468-A560 HydrophobicContact CE2-CB 3.94Å; F468-A560 HydrophobicContact CG-CB 3.74Å; F468-A560 HydrophobicContact CZ-CB 3.62Å; F470-A560 HydrophobicContact CZ-CB 4.43Å; Q556-A560 PolarHBondContact O-N 3.44Å; I557-A560 PolarHBondContact O-N 3.45Å; A558-A560 PolarHBondContact O-N 2.94Å; A560-K563 PolarHBondContact O-N 2.69Å; A560-H564 VanDerWaalsContact O-CB 3.28Å; A560-H564 WeakPolarHBondContact O-CB 3.39Å; A560-H564 PolarHBondContact O-N 2.89Å
561	V	97.9	Very high	90.5	Very high	12 Å²	12	72.3 Å²	72.3	7%	0.073	38%	0.383	C	S	.	.	H	α-helix	trans	-64.2	-44.6	175.1	169.7	0	0	0	0	111.6	F470 L477 V480 F495 I557 A558 K559 H564 K565	F470-V561 HydrophobicContact CD1-CG2 4.47Å; F470-V561 HydrophobicContact CE1-CG2 4.11Å; L477-V561 HydrophobicContact CD2-CB 4.44Å; L477-V561 HydrophobicContact CD2-CG1 3.69Å; L477-V561 HydrophobicContact CD2-CG2 3.86Å; V480-V561 HydrophobicContact CG2-CG2 3.71Å; F495-V561 HydrophobicContact CE2-CG2 4.38Å; F495-V561 HydrophobicContact CZ-CG2 4.12Å; I557-V561 HydrophobicContact CG2-CG2 4.32Å; I557-V561 VanDerWaalsContact O-CG2 3.29Å; I557-V561 WeakPolarHBondContact O-CG2 3.42Å; I557-V561 PolarHBondContact O-N 2.92Å; A558-V561 PolarHBondContact O-N 2.95Å; K559-V561 VanDerWaalsContact C-N 3.34Å; V561-H564 PolarHBondContact O-N 3Å; V561-K565 HydrophobicContact CG1-CD 3.94Å; V561-K565 HydrophobicContact CG1-CG 4.36Å; V561-K565 WeakPolarHBondContact O-CB 3.35Å; V561-K565 WeakPolarHBondContact O-CG 3.46Å; V561-K565 PolarHBondContact O-N 2.86Å
562	E	97.3	Very high	87.4	Confident	137 Å²	137	77.1 Å²	77.1	64%	0.64	39%	0.392	S	S	*	.	H	α-helix	trans	-60	-49.1	175.7	-74	175.9	-179	0	0	111.3	A558 K559 H564 K565 S566	A558-E562 PolarHBondContact O-N 3.45Å; K559-E562 PolarHBondContact O-N 3.43Å; E562-H564 VanDerWaalsContact C-N 3.33Å; E562-H564 PolarHBondContact O-N 3.22Å; E562-K565 PolarHBondContact O-N 2.87Å; E562-S566 PolarHBondContact O-N 3.44Å
563	K	96.8	Very high	84.4	Confident	162 Å²	162	76.9 Å²	76.9	70%	0.704	41%	0.41	S	S	*	.	H	α-helix	trans	-60.1	-41.2	176.5	-176.7	-178.7	177.6	-174.4	0	112.2	K559 A560 S566 T567	K559-K563 WeakPolarHBondContact O-CB 3.28Å; K559-K563 PolarHBondContact O-N 2.78Å; A560-K563 PolarHBondContact O-N 2.69Å; K563-S566 PolarHBondContact O-OG 3.43Å; K563-T567 WeakPolarHBondContact O-CG2 3.41Å
564	H	95.8	Very high	81.2	Confident	13 Å²	13	82 Å²	82	6%	0.06	45%	0.446	C	S	.	.	H	α-helix	trans	-66.8	-45.2	177.5	174.4	69.4	0	0	0	111.4	Y114 F470 Y472 A560 V561 E562 S566 T567 F568	Y114-H564 AromaticContact CD2-CE1 3.7Å; Y114-H564 AromaticContact CE2-CE1 3.79Å; F470-H564 HydrophobicContact CD1-CB 4.14Å; F470-H564 AromaticContact CD1-CD2 3.65Å; F470-H564 AromaticContact CD1-CG 3.88Å; F470-H564 HydrophobicContact CD2-CB 4.29Å; F470-H564 AromaticContact CD2-CD2 3.93Å; F470-H564 AromaticContact CD2-CE1 3.74Å; F470-H564 AromaticContact CD2-CG 3.69Å; F470-H564 AromaticContact CD2-ND1 3.57Å; F470-H564 AromaticContact CD2-NE2 3.97Å; F470-H564 HydrophobicContact CE1-CB 3.57Å; F470-H564 AromaticContact CE1-CG 3.82Å; F470-H564 HydrophobicContact CE2-CB 3.74Å; F470-H564 AromaticContact CE2-CG 3.62Å; F470-H564 AromaticContact CE2-ND1 3.63Å; F470-H564 HydrophobicContact CG-CB 4.5Å; F470-H564 AromaticContact CG-CD2 3.63Å; F470-H564 AromaticContact CG-CG 3.85Å; F470-H564 AromaticContact CG-NE2 3.77Å; F470-H564 HydrophobicContact CZ-CB 3.36Å; F470-H564 AromaticContact CZ-CG 3.7Å; Y472-H564 AromaticContact CE2-NE2 3.66Å; Y472-H564 AromaticContact CZ-NE2 3.64Å; Y472-H564 PolarHBondContact OH-CD2 3.45Å; Y472-H564 PolarHBondContact OH-NE2 3.4Å; A560-H564 VanDerWaalsContact O-CB 3.28Å; A560-H564 WeakPolarHBondContact O-CB 3.39Å; A560-H564 PolarHBondContact O-N 2.89Å; V561-H564 PolarHBondContact O-N 3Å; E562-H564 VanDerWaalsContact C-N 3.33Å; E562-H564 PolarHBondContact O-N 3.22Å; H564-S566 VanDerWaalsContact C-N 3.28Å; H564-S566 PolarHBondContact O-N 2.86Å; H564-T567 WeakPolarHBondContact O-CB 3.4Å; H564-T567 PolarHBondContact O-N 3.27Å; H564-T567 PolarHBondContact O-OG1 2.93Å; H564-F568 AromaticContact CD2-CE2 3.81Å; H564-F568 AromaticContact CE1-CE2 3.81Å; H564-F568 AromaticContact CE1-CZ 3.83Å; H564-F568 AromaticContact NE2-CE2 3.39Å; H564-F568 WeakPolarHBondContact NE2-CE2 3.45Å; H564-F568 AromaticContact NE2-CZ 3.58Å
565	K	93.5	Very high	78.1	Confident	122 Å²	122	88.3 Å²	88.3	53%	0.53	48%	0.48	S	S	.	.	H	α-helix	trans	-61.3	-35.2	178.5	-77.4	179.2	177.4	177.7	0	112.5	V561 E562 T567 F568	V561-K565 HydrophobicContact CG1-CD 3.94Å; V561-K565 HydrophobicContact CG1-CG 4.36Å; V561-K565 WeakPolarHBondContact O-CB 3.35Å; V561-K565 WeakPolarHBondContact O-CG 3.46Å; V561-K565 PolarHBondContact O-N 2.86Å; E562-K565 PolarHBondContact O-N 2.87Å; K565-T567 PolarHBondContact O-N 2.88Å; K565-F568 PolarHBondContact O-N 3.4Å
566	S	93.1	Very high	74.9	Confident	93 Å²	93	90.1 Å²	90.1	65%	0.65	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.3	176	73.9	0	0	0	0	114	E562 K563 H564	E562-S566 PolarHBondContact O-N 3.44Å; K563-S566 PolarHBondContact O-OG 3.43Å; H564-S566 VanDerWaalsContact C-N 3.28Å; H564-S566 PolarHBondContact O-N 2.86Å
567	T	91.9	Very high	72.1	Confident	42 Å²	42	94.1 Å²	94.1	26%	0.258	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-9.5	174.9	72.6	0	0	0	0	113.6	R117 K563 H564 K565	R117-T567 PolarHBondContact NH1-O 3.4Å; R117-T567 PolarHBondContact NH1-OG1 2.91Å; R117-T567 PolarHBondContact NH2-OG1 3.37Å; K563-T567 WeakPolarHBondContact O-CG2 3.41Å; H564-T567 WeakPolarHBondContact O-CB 3.4Å; H564-T567 PolarHBondContact O-N 3.27Å; H564-T567 PolarHBondContact O-OG1 2.93Å; K565-T567 PolarHBondContact O-N 2.88Å
568	F	85.6	Confident	68.7	Low	41 Å²	41	102.3 Å²	102.3	18%	0.18	56%	0.559	C	S	.	*	S	Bend	trans	-86.6	145.5	172.1	-63.4	-80.3	0	0	0	109.8	L116 R117 H564 K565 S570	L116-F568 HydrophobicContact CB-CD1 4.42Å; L116-F568 HydrophobicContact CB-CE1 3.6Å; L116-F568 HydrophobicContact CB-CZ 4.09Å; L116-F568 HydrophobicContact CD2-CZ 4.44Å; R117-F568 HydrophobicContact CG-CD1 4.28Å; R117-F568 HydrophobicContact CG-CE1 3.67Å; H564-F568 AromaticContact CD2-CE2 3.81Å; H564-F568 AromaticContact CE1-CE2 3.81Å; H564-F568 AromaticContact CE1-CZ 3.83Å; H564-F568 AromaticContact NE2-CE2 3.39Å; H564-F568 WeakPolarHBondContact NE2-CE2 3.45Å; H564-F568 AromaticContact NE2-CZ 3.58Å; K565-F568 PolarHBondContact O-N 3.4Å; F568-S570 PolarHBondContact O-N 2.9Å
569	P	71.2	Confident	65.7	Low	71 Å²	71	107 Å²	107	46%	0.461	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-55.3	126.6	173.4	-21.3	32.4	0	0	0	110.2	I584	P569-I584 HydrophobicContact CG-CD1 3.87Å; P569-I584 HydrophobicContact CG-CG1 4.09Å
570	S	53.4	Low	62.4	Low	98 Å²	98	109 Å²	109	69%	0.685	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-66.4	130.9	-179.6	44.8	0	0	0	0	111.3	F568 E572	F568-S570 PolarHBondContact O-N 2.9Å; S570-E572 VanDerWaalsContact C-N 3.27Å; S570-E572 PolarHBondContact O-N 3.32Å; S570-E572 VanDerWaalsContact O-N 3.17Å
571	K	46.5	Very low	59.6	Low	209 Å²	209	114.1 Å²	114.1	91%	0.909	63%	0.626	S	S	*	*			trans	-80.5	76.2	160.7	-76.8	-172.7	176.6	-176.1	0	108.6
572	E	32.2	Very low	57	Low	178 Å²	178	119.6 Å²	119.6	83%	0.832	66%	0.655	S	S	*	*			trans	-118.2	121.3	166.8	-76.1	-171.2	168.5	0	0	109.3	S570	S570-E572 VanDerWaalsContact C-N 3.27Å; S570-E572 PolarHBondContact O-N 3.32Å; S570-E572 VanDerWaalsContact O-N 3.17Å
573	G	33	Very low	55.4	Low	69 Å²	69	117.9 Å²	117.9	71%	0.711	65%	0.654	S	S	*	*			trans	122.5	97.7	160	0	0	0	0	0	117.5
574	S	30	Very low	54.6	Low	109 Å²	109	113.1 Å²	113.1	76%	0.762	64%	0.636	S	S	*	*			trans	57.1	141.2	132.1	57.1	0	0	0	0	122.9	D576	S574-D576 PolarHBondContact O-N 2.91Å
575	D	34.6	Very low	54.2	Low	169 Å²	169	117.6 Å²	117.6	90%	0.904	66%	0.657	S	S	*	*	S	Bend	trans	-53.8	50.4	171.2	-66.3	-56.1	0	0	0	116.7
576	D	30	Very low	54.1	Low	146 Å²	146	114 Å²	114	78%	0.781	64%	0.643	S	S	*	*			trans	-128.2	123.8	171	-93.7	-40	0	0	0	112.8	S574 Q578	S574-D576 PolarHBondContact O-N 2.91Å; D576-Q578 VanDerWaalsContact C-N 3.31Å; D576-Q578 PolarHBondContact O-N 2.96Å
577	V	37.9	Very low	54.2	Low	146 Å²	146	109.9 Å²	109.9	89%	0.885	61%	0.614	S	S	*	*			trans	-70.4	82.2	178.8	179.9	0	0	0	0	109.1
578	Q	27.5	Very low	54.3	Low	175 Å²	175	108 Å²	108	82%	0.818	60%	0.602	S	S	*	*			trans	-139.2	116	151.9	-73.3	-158.6	-12.6	0	0	109.8	D576 Q580	D576-Q578 VanDerWaalsContact C-N 3.31Å; D576-Q578 PolarHBondContact O-N 2.96Å; Q578-Q580 PolarHBondContact O-N 3.47Å
579	V	34.5	Very low	54.6	Low	144 Å²	144	107.1 Å²	107.1	87%	0.873	60%	0.601	S	S	*	*			trans	-59.5	104.4	-176.7	177.9	0	0	0	0	110.3
580	Q	30.3	Very low	55.5	Low	141 Å²	141	109.1 Å²	109.1	66%	0.659	60%	0.599	S	S	*	*			trans	-69.6	127.5	167.9	-75	-92.3	-8.2	0	0	109.8	Q578 N582 T583	Q578-Q580 PolarHBondContact O-N 3.47Å; Q580-N582 PolarHBondContact O-N 3.39Å; Q580-N582 VanDerWaalsContact O-N 3.12Å; Q580-T583 PolarHBondContact O-OG1 3.28Å
581	P	37.8	Very low	57.3	Low	119 Å²	119	110 Å²	110	77%	0.773	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-2.9	-177.3	26.2	-32.3	0	0	0	114.9
582	N	44.9	Very low	59.5	Low	127 Å²	127	101.4 Å²	101.4	68%	0.679	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	12	-174.6	-79.7	-12	0	0	0	115	Q580 I584	Q580-N582 PolarHBondContact O-N 3.39Å; Q580-N582 VanDerWaalsContact O-N 3.12Å; N582-I584 PolarHBondContact O-N 2.94Å
583	T	62.1	Low	62.3	Low	101 Å²	101	93.1 Å²	93.1	62%	0.62	52%	0.516	S	S	*	.			trans	-80.7	118	176.4	-23	0	0	0	0	109.8	Q580 Q585	Q580-T583 PolarHBondContact O-OG1 3.28Å; T583-Q585 PolarHBondContact O-N 2.88Å
584	I	81.3	Confident	65.1	Low	63 Å²	63	93.6 Å²	93.6	32%	0.323	50%	0.503	S	S	.	.			trans	-64.1	109.2	174.1	-60.8	170.4	0	0	0	108	P569 N582 N586	P569-I584 HydrophobicContact CG-CD1 3.87Å; P569-I584 HydrophobicContact CG-CG1 4.09Å; N582-I584 PolarHBondContact O-N 2.94Å; I584-N586 PolarHBondContact O-N 3.47Å
585	Q	87.1	Confident	68.1	Low	106 Å²	106	90.7 Å²	90.7	50%	0.495	48%	0.475	S	S	.	.			trans	-71.6	125.7	176.5	-174.6	178.2	19.8	0	0	109.7	T583 Q587 K592	T583-Q585 PolarHBondContact O-N 2.88Å; Q585-Q587 PolarHBondContact O-N 2.85Å; Q585-K592 VanDerWaalsContact NE2-CE 3.27Å
586	N	91.1	Very high	70.9	Confident	47 Å²	47	85.8 Å²	85.8	25%	0.251	44%	0.444	S	S	.	.			trans	-68.1	113.1	172.7	-177.2	-0.4	0	0	0	109.9	A121 P123 I584 M588 S589	A121-N586 PolarHBondContact O-OD1 3.14Å; P123-N586 WeakPolarHBondContact CD-ND2 3.37Å; I584-N586 PolarHBondContact O-N 3.47Å; N586-M588 VanDerWaalsContact C-N 3.27Å; N586-M588 WeakPolarHBondContact OD1-CA 3.33Å; N586-M588 PolarHBondContact OD1-N 3.38Å; N586-S589 PolarHBondContact O-OG 2.88Å; N586-S589 PolarHBondContact OD1-N 3.41Å
587	Q	95.2	Very high	73.9	Confident	7 Å²	7	81.1 Å²	81.1	3%	0.033	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.4	178	-62.2	-59.2	-40.5	0	0	112.7	G119 M120 G136 G137 P139 Q585 K592	G119-Q587 PolarHBondContact O-N 3.17Å; M120-Q587 HydrophobicContact SD-CB 3.6Å; M120-Q587 VanDerWaalsContact SD-CB 3.6Å; M120-Q587 HydrophobicContact SD-CG 3.97Å; G136-Q587 WeakPolarHBondContact CA-O 3.3Å; G137-Q587 VanDerWaalsContact O-CG 3.26Å; G137-Q587 WeakPolarHBondContact O-CG 3.39Å; G137-Q587 PolarHBondContact O-OE1 3.1Å; P139-Q587 HydrophobicContact CG-CG 3.74Å; Q585-Q587 PolarHBondContact O-N 2.85Å; Q587-K592 WeakPolarHBondContact O-CB 3.32Å
588	M	93.1	Very high	76.6	Confident	2 Å²	2	81.5 Å²	81.5	1%	0.01	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	22.9	-176.8	-52.1	-57.7	-68.2	0	0	112.2	T103 M120 S122 L129 N586 I593	T103-M588 HydrophobicContact CG2-CE 4.1Å; T103-M588 HydrophobicContact CG2-SD 4.09Å; M120-M588 HydrophobicContact CE-SD 4.04Å; S122-M588 PolarHBondContact OG-O 3.36Å; L129-M588 HydrophobicContact CD2-CE 4.07Å; L129-M588 HydrophobicContact CD2-SD 3.73Å; L129-M588 HydrophobicContact CG-CE 4.24Å; L129-M588 HydrophobicContact CG-SD 4.22Å; N586-M588 VanDerWaalsContact C-N 3.27Å; N586-M588 WeakPolarHBondContact OD1-CA 3.33Å; N586-M588 PolarHBondContact OD1-N 3.38Å; M588-I593 HydrophobicContact CB-CD1 4.15Å; M588-I593 HydrophobicContact CE-CD1 4.13Å; M588-I593 VanDerWaalsContact O-CD1 3.22Å; M588-I593 WeakPolarHBondContact O-CD1 3.27Å
589	S	92	Very high	79.8	Confident	22 Å²	22	73.1 Å²	73.1	15%	0.154	37%	0.368	C	S	.	.	S	Bend	trans	-75.3	156.8	171.3	60.4	0	0	0	0	111	N586 E591 K592 I593	N586-S589 PolarHBondContact O-OG 2.88Å; N586-S589 PolarHBondContact OD1-N 3.41Å; S589-E591 VanDerWaalsContact C-N 3.26Å; S589-E591 PolarHBondContact O-N 3.35Å; S589-E591 WeakPolarHBondContact OG-CG 3.38Å; S589-E591 PolarHBondContact OG-OE1 3.22Å; S589-K592 PolarHBondContact O-N 3.01Å; S589-K592 WeakPolarHBondContact OG-CG 3.31Å; S589-I593 WeakPolarHBondContact O-CG1 3.48Å; S589-I593 PolarHBondContact O-N 3.36Å
590	W	90.3	Very high	82.8	Confident	114 Å²	114	66.3 Å²	66.3	43%	0.432	33%	0.326	S	S	.	.	H	α-helix	trans	-57.2	-39.6	177.7	-80.4	113.6	0	0	0	112.7	R125 V126 L206 K592 I593 L594	R125-W590 HydrophobicContact CG-CZ2 4.46Å; V126-W590 HydrophobicContact CB-CH2 4.45Å; V126-W590 HydrophobicContact CG2-CH2 3.45Å; V126-W590 VanDerWaalsContact CG2-CH2 3.45Å; V126-W590 HydrophobicContact CG2-CZ2 3.9Å; V126-W590 HydrophobicContact CG2-CZ3 4.08Å; L206-W590 HydrophobicContact CD1-CZ3 4.38Å; L206-W590 HydrophobicContact CD2-CH2 3.99Å; L206-W590 HydrophobicContact CD2-CZ3 4.34Å; W590-K592 PolarHBondContact O-N 3.45Å; W590-I593 PolarHBondContact O-N 2.84Å; W590-L594 HydrophobicContact CB-CD1 4.46Å; W590-L594 HydrophobicContact CE3-CD2 3.87Å; W590-L594 HydrophobicContact CE3-CG 4Å; W590-L594 HydrophobicContact CZ3-CD2 4.12Å; W590-L594 VanDerWaalsContact O-CB 3.3Å; W590-L594 WeakPolarHBondContact O-CB 3.31Å; W590-L594 WeakPolarHBondContact O-CG 3.47Å; W590-L594 PolarHBondContact O-N 2.96Å
591	E	91.4	Very high	85.9	Confident	116 Å²	116	59.9 Å²	59.9	54%	0.542	30%	0.297	S	S	.	.	H	α-helix	trans	-57.1	-34.6	175	55	170.8	-166.9	0	0	112.5	S589 R596	S589-E591 VanDerWaalsContact C-N 3.26Å; S589-E591 PolarHBondContact O-N 3.35Å; S589-E591 WeakPolarHBondContact OG-CG 3.38Å; S589-E591 PolarHBondContact OG-OE1 3.22Å; E591-R596 PolarHBondContact O-NE 3.47Å; E591-R596 PolarHBondContact O-NH2 3.44Å
592	K	93.1	Very high	88.6	Confident	29 Å²	29	54.8 Å²	54.8	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-86.5	-35.9	-177.3	-72.5	-58.9	-161.1	158.7	0	112.5	G134 S135 G136 Q585 Q587 S589 W590	G134-K592 CarbonylContact C-O 3.59Å; G134-K592 WeakPolarHBondContact CA-O 3.5Å; S135-K592 PolarHBondContact N-O 3.45Å; S135-K592 PolarHBondContact O-NZ 3.4Å; S135-K592 WeakPolarHBondContact OG-CD 3.31Å; G136-K592 PolarHBondContact N-O 3.32Å; G136-K592 VanDerWaalsContact N-O 3.09Å; Q585-K592 VanDerWaalsContact NE2-CE 3.27Å; Q587-K592 WeakPolarHBondContact O-CB 3.32Å; S589-K592 PolarHBondContact O-N 3.01Å; S589-K592 WeakPolarHBondContact OG-CG 3.31Å; W590-K592 PolarHBondContact O-N 3.45Å
593	I	91.2	Very high	90.9	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-80.1	-37.6	-177.3	-66.6	174.7	0	0	0	112.2	V126 L129 L130 F131 M588 S589 W590	V126-I593 HydrophobicContact CB-CD1 4.42Å; V126-I593 HydrophobicContact CG1-CD1 3.9Å; V126-I593 HydrophobicContact CG1-CG2 4.17Å; L129-I593 HydrophobicContact CD2-CG1 4.4Å; L130-I593 HydrophobicContact CB-CG2 4.12Å; L130-I593 HydrophobicContact CD1-CG2 4.5Å; L130-I593 HydrophobicContact CG-CG2 4.32Å; F131-I593 WeakPolarHBondContact CD2-O 3.28Å; M588-I593 HydrophobicContact CB-CD1 4.15Å; M588-I593 HydrophobicContact CE-CD1 4.13Å; M588-I593 VanDerWaalsContact O-CD1 3.22Å; M588-I593 WeakPolarHBondContact O-CD1 3.27Å; S589-I593 WeakPolarHBondContact O-CG1 3.48Å; S589-I593 PolarHBondContact O-N 3.36Å; W590-I593 PolarHBondContact O-N 2.84Å
594	L	90.8	Very high	92.1	Very high	80 Å²	80	47.4 Å²	47.4	42%	0.419	24%	0.235	S	C	.	.	S	Bend	trans	-59.4	143.9	-175.3	-74.6	172.2	0	0	0	111.9	W590 R596	W590-L594 HydrophobicContact CB-CD1 4.46Å; W590-L594 HydrophobicContact CE3-CD2 3.87Å; W590-L594 HydrophobicContact CE3-CG 4Å; W590-L594 HydrophobicContact CZ3-CD2 4.12Å; W590-L594 VanDerWaalsContact O-CB 3.3Å; W590-L594 WeakPolarHBondContact O-CB 3.31Å; W590-L594 WeakPolarHBondContact O-CG 3.47Å; W590-L594 PolarHBondContact O-N 2.96Å; L594-R596 PolarHBondContact O-N 2.94Å
595	W	93.4	Very high	92.5	Very high	47 Å²	47	49.8 Å²	49.8	18%	0.178	25%	0.253	C	S	.	.			trans	-61.9	129.5	179.8	-179.6	72.4	0	0	0	112	F131 V259 P260 W267 P597 F606	F131-W595 HydrophobicContact CB-CB 4.2Å; F131-W595 HydrophobicContact CD1-CB 3.8Å; F131-W595 HydrophobicContact CD1-CG 4.31Å; F131-W595 HydrophobicContact CD2-CB 4.34Å; F131-W595 HydrophobicContact CE1-CB 4.21Å; F131-W595 HydrophobicContact CG-CB 3.86Å; V259-W595 HydrophobicContact CG1-CH2 4.21Å; V259-W595 HydrophobicContact CG1-CZ3 4.29Å; P260-W595 HydrophobicContact CB-CE3 4.23Å; W267-W595 HydrophobicContact CD2-CZ2 4.21Å; W267-W595 HydrophobicContact CE3-CD2 4.48Å; W267-W595 AromaticContact CE3-CE2 3.65Å; W267-W595 HydrophobicContact CE3-CH2 4.29Å; W267-W595 AromaticContact CE3-CZ2 3.57Å; W267-W595 HydrophobicContact CE3-CZ2 3.57Å; W267-W595 AromaticContact CE3-NE1 3.74Å; W267-W595 AromaticContact CH2-CH2 3.27Å; W267-W595 HydrophobicContact CH2-CH2 3.27Å; W267-W595 AromaticContact CH2-CZ2 3.24Å; W267-W595 HydrophobicContact CH2-CZ2 3.24Å; W267-W595 HydrophobicContact CH2-CZ3 4.22Å; W267-W595 HydrophobicContact CZ2-CH2 4.22Å; W267-W595 AromaticContact CZ2-CZ2 3.92Å; W267-W595 HydrophobicContact CZ2-CZ2 3.92Å; W267-W595 HydrophobicContact CZ3-CD2 4.14Å; W267-W595 AromaticContact CZ3-CE2 3.46Å; W267-W595 VanDerWaalsContact CZ3-CE2 3.46Å; W267-W595 HydrophobicContact CZ3-CE3 4.36Å; W267-W595 AromaticContact CZ3-CH2 3.33Å; W267-W595 HydrophobicContact CZ3-CH2 3.33Å; W267-W595 AromaticContact CZ3-CZ2 3.04Å; W267-W595 HydrophobicContact CZ3-CZ2 3.04Å; W267-W595 AromaticContact CZ3-CZ3 3.99Å; W267-W595 HydrophobicContact CZ3-CZ3 3.99Å; W595-P597 HydrophobicContact CE3-CG 4.26Å; W595-P597 HydrophobicContact CH2-CB 3.93Å; W595-P597 HydrophobicContact CH2-CG 3.6Å; W595-P597 HydrophobicContact CZ2-CB 4.14Å; W595-P597 HydrophobicContact CZ2-CG 4.16Å; W595-P597 HydrophobicContact CZ3-CB 4.48Å; W595-P597 HydrophobicContact CZ3-CG 3.66Å; W595-F606 HydrophobicContact CH2-CZ 4.3Å; W595-F606 HydrophobicContact CZ2-CE2 4.31Å; W595-F606 HydrophobicContact CZ2-CZ 4.08Å
596	R	93.4	Very high	92.7	Very high	66 Å²	66	48.1 Å²	48.1	25%	0.249	24%	0.244	C	C	.	.			trans	-121.2	116.5	176.8	-62.9	172	177.5	-145.7	-0.7	109.5	G133 S135 E591 L594 W598 L599	G133-R596 WeakPolarHBondContact O-CA 3.43Å; G133-R596 WeakPolarHBondContact O-CB 3.42Å; G133-R596 PolarHBondContact O-N 2.86Å; S135-R596 PolarHBondContact OG-NE 3.34Å; E591-R596 PolarHBondContact O-NE 3.47Å; E591-R596 PolarHBondContact O-NH2 3.44Å; L594-R596 PolarHBondContact O-N 2.94Å; R596-W598 VanDerWaalsContact C-N 3.26Å; R596-W598 HydrophobicContact CB-CD2 4.24Å; R596-W598 HydrophobicContact CB-CH2 4.32Å; R596-W598 HydrophobicContact CB-CZ2 3.94Å; R596-W598 HydrophobicContact CG-CH2 4.31Å; R596-W598 HydrophobicContact CG-CZ2 3.92Å; R596-W598 PolarHBondContact O-N 3.42Å; R596-W598 VanDerWaalsContact O-N 3.16Å; R596-L599 HydrophobicContact CB-CB 4.32Å; R596-L599 HydrophobicContact CB-CD1 3.94Å; R596-L599 HydrophobicContact CB-CG 3.99Å; R596-L599 HydrophobicContact CG-CD1 4.33Å; R596-L599 PolarHBondContact O-N 3Å
597	P	92.9	Very high	92.5	Very high	49 Å²	49	48 Å²	48	32%	0.318	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-54.1	-38.4	-176.7	-24.6	28.1	0	0	0	114.4	W595 L599 Q600 F606	W595-P597 HydrophobicContact CE3-CG 4.26Å; W595-P597 HydrophobicContact CH2-CB 3.93Å; W595-P597 HydrophobicContact CH2-CG 3.6Å; W595-P597 HydrophobicContact CZ2-CB 4.14Å; W595-P597 HydrophobicContact CZ2-CG 4.16Å; W595-P597 HydrophobicContact CZ3-CB 4.48Å; W595-P597 HydrophobicContact CZ3-CG 3.66Å; P597-L599 PolarHBondContact O-N 3.21Å; P597-Q600 WeakPolarHBondContact O-CB 3.45Å; P597-Q600 PolarHBondContact O-N 2.92Å; P597-F606 HydrophobicContact CB-CE1 4.29Å; P597-F606 HydrophobicContact CB-CZ 3.89Å
598	W	94.6	Very high	92.2	Very high	153 Å²	153	56 Å²	56	58%	0.58	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-76.9	-6.3	-177.1	59.7	88	0	0	0	114.4	R171 R596	R171-W598 VanDerWaalsContact CB-O 3.25Å; R171-W598 WeakPolarHBondContact CB-O 3.37Å; R171-W598 PolarHBondContact N-O 3.34Å; R171-W598 VanDerWaalsContact N-O 3.09Å; R596-W598 VanDerWaalsContact C-N 3.26Å; R596-W598 HydrophobicContact CB-CD2 4.24Å; R596-W598 HydrophobicContact CB-CH2 4.32Å; R596-W598 HydrophobicContact CB-CZ2 3.94Å; R596-W598 HydrophobicContact CG-CH2 4.31Å; R596-W598 HydrophobicContact CG-CZ2 3.92Å; R596-W598 PolarHBondContact O-N 3.42Å; R596-W598 VanDerWaalsContact O-N 3.16Å
599	L	96.3	Very high	92.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-101.9	-12.9	174.1	-61.1	-175.9	0	0	0	112.9	N167 E169 R596 P597 P601	N167-L599 HydrophobicContact CB-CB 4.47Å; N167-L599 HydrophobicContact CB-CD2 4.23Å; N167-L599 PolarHBondContact ND2-O 3.32Å; E169-L599 WeakPolarHBondContact O-CD2 3.45Å; R596-L599 HydrophobicContact CB-CB 4.32Å; R596-L599 HydrophobicContact CB-CD1 3.94Å; R596-L599 HydrophobicContact CB-CG 3.99Å; R596-L599 HydrophobicContact CG-CD1 4.33Å; R596-L599 PolarHBondContact O-N 3Å; P597-L599 PolarHBondContact O-N 3.21Å; L599-P601 WeakPolarHBondContact O-CD 3.47Å
600	Q	95.9	Very high	92.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.296	C	S	.	.			trans	-62.6	115	-169.9	-177.6	54.8	56.6	0	0	111.6	R171 W267 P597 C602 F606	R171-Q600 VanDerWaalsContact CD-O 3.3Å; R171-Q600 WeakPolarHBondContact CD-O 3.42Å; W267-Q600 HydrophobicContact CB-CG 4.36Å; W267-Q600 HydrophobicContact CD2-CG 4.45Å; W267-Q600 HydrophobicContact CG-CG 4.09Å; W267-Q600 PolarHBondContact O-NE2 2.96Å; P597-Q600 WeakPolarHBondContact O-CB 3.45Å; P597-Q600 PolarHBondContact O-N 2.92Å; Q600-C602 PolarHBondContact O-N 3.29Å; Q600-F606 HydrophobicContact CB-CD2 4.46Å; Q600-F606 HydrophobicContact CB-CE2 3.96Å; Q600-F606 HydrophobicContact CG-CD2 4.4Å; Q600-F606 HydrophobicContact CG-CE2 3.97Å
601	P	95.1	Very high	92.5	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.039	29%	0.288	C	S	.	.			trans	-59.9	135.4	168.7	-21.3	34.1	0	0	0	110	L132 V166 I270 V277 Q280 L599	L132-P601 HydrophobicContact CB-CG 4.39Å; V166-P601 HydrophobicContact CG1-CG 4.17Å; I270-P601 HydrophobicContact CD1-CB 3.82Å; I270-P601 HydrophobicContact CD1-CG 4.48Å; V277-P601 HydrophobicContact CG2-CB 3.92Å; Q280-P601 PolarHBondContact NE2-O 3.47Å; L599-P601 WeakPolarHBondContact O-CD 3.47Å
602	C	94.7	Very high	92.5	Very high	12 Å²	12	56.7 Å²	56.7	8%	0.081	30%	0.3	C	S	.	.			trans	-158.2	128.1	-171.4	171.4	0	0	0	0	108.9	R171 Q280 Q600 C609	R171-C602 VanDerWaalsContact CZ-CB 3.45Å; R171-C602 VanDerWaalsContact NH2-CB 3.27Å; R171-C602 PolarHBondContact NH2-O 3.09Å; Q280-C602 VanDerWaalsContact OE1-CA 3.3Å; Q600-C602 PolarHBondContact O-N 3.29Å; C602-C609 HydrophobicContact CB-CB 3.78Å; C602-C609 WeakPolarHBondContact CB-SG 3.31Å; C602-C609 WeakPolarHBondContact SG-CB 3.48Å; C602-C609 CovalentContact SG-SG 2.02Å; C602-C609 PolarHBondContact SG-SG 2.84Å
603	C	93.3	Very high	92.3	Very high	16 Å²	16	57.2 Å²	57.2	11%	0.108	30%	0.302	C	S	.	.	S	Bend	trans	-95	139	163.6	58.1	0	0	0	0	109	V277 Q280 C609 G610 C611	V277-C603 HydrophobicContact CB-CB 4.16Å; V277-C603 HydrophobicContact CG1-CB 4.18Å; Q280-C603 WeakPolarHBondContact CB-SG 3.35Å; Q280-C603 PolarHBondContact OE1-SG 2.61Å; C603-C609 CarbonylContact O-C 3.38Å; C603-C609 VanDerWaalsContact O-CA 3.25Å; C603-C609 WeakPolarHBondContact O-CA 3.47Å; C603-G610 PolarHBondContact O-N 3.17Å; C603-C611 HydrophobicContact CB-CB 3.7Å; C603-C611 WeakPolarHBondContact CB-SG 3.49Å; C603-C611 WeakPolarHBondContact SG-CB 3.27Å; C603-C611 PolarHBondContact SG-N 3.35Å; C603-C611 CovalentContact SG-SG 2.02Å; C603-C611 PolarHBondContact SG-SG 3.15Å
604	G	88.1	Confident	91.6	Very high	57 Å²	57	62.2 Å²	62.2	59%	0.588	33%	0.329	S	S	*	.	S	Bend	trans	76.1	-152	-171.4	0	0	0	0	0	113.7
605	T	89.6	Confident	90.3	Very high	113 Å²	113	68 Å²	68	69%	0.693	35%	0.351	S	S	*	.	S	Bend	trans	-91.8	117.4	-169.8	-52.7	0	0	0	0	111.7	F608 C609	T605-F608 CarbonylContact O-C 3.55Å; T605-F608 VanDerWaalsContact O-C 3.3Å; T605-F608 WeakPolarHBondContact O-CA 3.49Å; T605-F608 PolarHBondContact O-N 3.31Å; T605-C609 PolarHBondContact O-N 3.23Å
606	F	90.5	Very high	88	Confident	71 Å²	71	73.3 Å²	73.3	31%	0.311	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	137.8	172.6	-177.6	-91.8	0	0	0	110.6	W267 W595 P597 Q600	W267-F606 HydrophobicContact CZ2-CE2 4.12Å; W267-F606 HydrophobicContact CZ2-CZ 4.3Å; W595-F606 HydrophobicContact CH2-CZ 4.3Å; W595-F606 HydrophobicContact CZ2-CE2 4.31Å; W595-F606 HydrophobicContact CZ2-CZ 4.08Å; P597-F606 HydrophobicContact CB-CE1 4.29Å; P597-F606 HydrophobicContact CB-CZ 3.89Å; Q600-F606 HydrophobicContact CB-CD2 4.46Å; Q600-F606 HydrophobicContact CB-CE2 3.96Å; Q600-F606 HydrophobicContact CG-CD2 4.4Å; Q600-F606 HydrophobicContact CG-CE2 3.97Å
607	P	87.7	Confident	85.7	Confident	45 Å²	45	77.8 Å²	77.8	29%	0.292	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.9	-7	5.4	32.8	-34.9	0	0	0	116	W267 C609	W267-P607 HydrophobicContact CZ2-CB 3.85Å; W267-P607 PolarHBondContact NE1-O 2.86Å; W267-P607 VanDerWaalsContact NE1-O 3.08Å; P607-C609 PolarHBondContact O-N 3.32Å
608	F	88.8	Confident	85.4	Confident	175 Å²	175	79.2 Å²	79.2	77%	0.768	42%	0.415	S	S	*	.	S	Bend	trans	-84.4	40.2	-173	-52.4	-72.1	0	0	0	113.8	T605 G610	T605-F608 CarbonylContact O-C 3.55Å; T605-F608 VanDerWaalsContact O-C 3.3Å; T605-F608 WeakPolarHBondContact O-CA 3.49Å; T605-F608 PolarHBondContact O-N 3.31Å; F608-G610 PolarHBondContact O-N 2.94Å
609	C	92.5	Very high	84.9	Confident	6 Å²	6	75.3 Å²	75.3	4%	0.041	41%	0.406	C	S	.	.			trans	-51	134.8	-174.3	-49.3	0	0	0	0	112.1	T266 Q280 C602 C603 T605 P607	T266-C609 HydrophobicContact CG2-CB 4.27Å; T266-C609 WeakPolarHBondContact CG2-O 3.49Å; Q280-C609 VanDerWaalsContact CD-CB 3.47Å; Q280-C609 HydrophobicContact CG-CB 4.31Å; Q280-C609 VanDerWaalsContact OE1-CB 3.31Å; C602-C609 HydrophobicContact CB-CB 3.78Å; C602-C609 WeakPolarHBondContact CB-SG 3.31Å; C602-C609 WeakPolarHBondContact SG-CB 3.48Å; C602-C609 CovalentContact SG-SG 2.02Å; C602-C609 PolarHBondContact SG-SG 2.84Å; C603-C609 CarbonylContact O-C 3.38Å; C603-C609 VanDerWaalsContact O-CA 3.25Å; C603-C609 WeakPolarHBondContact O-CA 3.47Å; T605-C609 PolarHBondContact O-N 3.23Å; P607-C609 PolarHBondContact O-N 3.32Å
610	G	94.2	Very high	84.2	Confident	43 Å²	43	79.5 Å²	79.5	44%	0.443	43%	0.429	S	S	.	.			trans	-170.3	128.7	-176	0	0	0	0	0	113.6	Q280 C603 F608	Q280-G610 WeakPolarHBondContact O-CA 3.47Å; C603-G610 PolarHBondContact O-N 3.17Å; F608-G610 PolarHBondContact O-N 2.94Å
611	C	94.7	Very high	83.6	Confident	37 Å²	37	84.2 Å²	84.2	25%	0.25	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-161	161.8	172.8	57.3	0	0	0	0	109.9	Q280 C603	Q280-C611 PolarHBondContact N-O 2.87Å; Q280-C611 PolarHBondContact O-N 2.89Å; Q280-C611 VanDerWaalsContact O-N 3.16Å; C603-C611 HydrophobicContact CB-CB 3.7Å; C603-C611 WeakPolarHBondContact CB-SG 3.49Å; C603-C611 WeakPolarHBondContact SG-CB 3.27Å; C603-C611 PolarHBondContact SG-N 3.35Å; C603-C611 CovalentContact SG-SG 2.02Å; C603-C611 PolarHBondContact SG-SG 3.15Å
612	K	92.3	Very high	82.8	Confident	183 Å²	183	89.1 Å²	89.1	80%	0.796	48%	0.48	S	S	*	.			trans	-125	146	172.8	-68.3	-170.6	175.6	-174.6	0	109.1	I278 D614	I278-K612 CarbonylContact O-C 3.5Å; K612-D614 PolarHBondContact O-N 3.28Å
613	E	88.4	Confident	82	Confident	39 Å²	39	94.2 Å²	94.2	18%	0.182	51%	0.506	C	S	.	.			trans	-64.4	130.6	174.1	-178.2	172.8	-144.5	0	0	109.2	Y187 R273 I278 E279 R290 K615	Y187-E613 WeakPolarHBondContact CE2-OE1 3.4Å; Y187-E613 PolarHBondContact OH-OE1 2.91Å; Y187-E613 PolarHBondContact OH-OE2 2.74Å; R273-E613 IonicContact CZ-OE1 4Å; R273-E613 IonicContact NE-OE1 3.21Å; R273-E613 IonicContact NH2-OE1 2.74Å; R273-E613 PolarHBondContact NH2-OE1 2.99Å; I278-E613 HydrophobicContact CD1-CB 4.4Å; I278-E613 HydrophobicContact CD1-CG 4Å; I278-E613 VanDerWaalsContact CD1-OE1 3.24Å; I278-E613 WeakPolarHBondContact CD1-OE1 3.31Å; I278-E613 WeakPolarHBondContact O-CA 3.36Å; I278-E613 PolarHBondContact O-N 3.07Å; E279-E613 HydrophobicContact CB-CB 4.48Å; R290-E613 IonicContact CZ-OE2 2.82Å; R290-E613 IonicContact NE-OE2 3.42Å; R290-E613 PolarHBondContact NE-OE2 3.19Å; R290-E613 IonicContact NH2-OE2 2.74Å; R290-E613 PolarHBondContact NH2-OE2 3.11Å; E613-K615 PolarHBondContact O-N 3.26Å
614	D	75.6	Confident	81.2	Confident	108 Å²	108	99.8 Å²	99.8	58%	0.578	54%	0.535	S	S	*	.			trans	-67.9	115.6	173.4	-97.1	-32.4	0	0	0	109.5	K612 N616 I617	K612-D614 PolarHBondContact O-N 3.28Å; D614-N616 PolarHBondContact O-N 3.34Å; D614-I617 HydrophobicContact CB-CD1 4.14Å; D614-I617 HydrophobicContact CB-CG1 4.4Å; D614-I617 PolarHBondContact O-N 3.5Å
615	K	64.1	Low	80.7	Confident	202 Å²	202	103.1 Å²	103.1	88%	0.878	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	0.1	-178.2	-63.4	-174.1	177.5	-175.1	0	114.6	E613	E613-K615 PolarHBondContact O-N 3.26Å
616	N	45.7	Very low	80	Confident	158 Å²	158	102.3 Å²	102.3	85%	0.845	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	4.5	-174.1	-66.3	-27.1	0	0	0	113.3	D614	D614-N616 PolarHBondContact O-N 3.34Å
617	I	45.4	Very low	79	Confident	160 Å²	160	105.1 Å²	105.1	82%	0.821	54%	0.536	S	S	*	.			trans	-123.2	0	-179.4	-54.1	175.4	0	0	0	108.2	D614	D614-I617 HydrophobicContact CB-CD1 4.14Å; D614-I617 HydrophobicContact CB-CG1 4.4Å; D614-I617 PolarHBondContact O-N 3.5Å

Retrieved 617 of 617 residues in 256.4 ms (Link to these results)

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