A0A096MNU0_PAPAN Loading...

Serine hydroxymethyltransferase

Interconversion of serine and glycine.

AlphaFold DB (H9ES01), UniProt , Accession A0A096MNU0, Species PAPAN (Papio anubis, Olive baboon), Gene SHMT2, Length 504 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	30.3	Very low	230 Å²	230	158.2 Å²	158.2	100%	1.133	77%	0.773	S	S	*	*				0	120.9	0	-120	176.8	166.1	0	0	107.2
2	L	28.9	Very low	31.4	Very low	132 Å²	132	153.7 Å²	153.7	69%	0.691	77%	0.765	S	S	*	*			trans	67.2	105.8	153.3	-68.9	144.8	0	0	0	117.7
3	Y	27.1	Very low	31.6	Very low	197 Å²	197	154.6 Å²	154.6	77%	0.773	77%	0.773	S	S	*	*				77.9	145.1	86.5	-93	-116.7	0	0	0	111.5
4	F	28.6	Very low	31.9	Very low	151 Å²	151	154.5 Å²	154.5	66%	0.662	77%	0.769	S	S	*	*			cis	175.2	158.6	-7.1	-143.5	-92.4	0	0	0	104.5
5	S	31.3	Very low	32.5	Very low	96 Å²	96	157.6 Å²	157.6	67%	0.671	77%	0.768	S	S	*	*			trans	62.9	159.5	149.9	32.8	0	0	0	0	120.9
6	L	29.7	Very low	32.9	Very low	135 Å²	135	164.5 Å²	164.5	71%	0.707	78%	0.784	S	S	*	*			cis	171	143.6	-27.1	-105.1	152.4	0	0	0	105.5
7	F	29.2	Very low	33.5	Very low	158 Å²	158	157.1 Å²	157.1	69%	0.693	76%	0.761	S	S	*	*			trans	75.4	115.6	154.3	-84.4	-103	0	0	0	121.7
8	W	29.2	Very low	34.1	Very low	229 Å²	229	157.8 Å²	157.8	87%	0.867	76%	0.763	S	S	*	*				85.5	144.3	101.2	-93.4	59.8	0	0	0	113.8
9	A	31.3	Very low	34.5	Very low	77 Å²	77	158.2 Å²	158.2	64%	0.636	77%	0.768	S	S	*	*			cis	-158.6	156.7	24.5	0	0	0	0	0	110.2
10	A	30.3	Very low	35	Very low	91 Å²	91	155.3 Å²	155.3	75%	0.752	76%	0.76	S	S	*	*				130.4	142.5	108.7	0	0	0	0	0	107.4
11	R	34.7	Very low	35.4	Very low	244 Å²	244	157.3 Å²	157.3	92%	0.921	76%	0.759	S	S	*	*			cis	-171.2	-173.9	15.7	-119.1	-171.2	-171.3	-167.3	4.6	108.2
12	P	43.2	Very low	35.8	Very low	104 Å²	104	153.8 Å²	153.8	68%	0.675	74%	0.742	S	S	*	*			trans	-115.8	176.2	-136.4	43.9	-31.1	0	0	0	115.4
13	L	34.7	Very low	36.6	Very low	166 Å²	166	150.3 Å²	150.3	87%	0.869	73%	0.733	S	S	*	*			trans	-169.8	90.4	151.8	-99.1	150.4	0	0	0	108.2
14	Q	35.5	Very low	37.4	Very low	153 Å²	153	145 Å²	145	72%	0.715	72%	0.716	S	S	*	*				57.5	118.5	96.7	-95.5	-170.3	-8.3	0	0	117.9
15	R	40.9	Very low	38.1	Very low	201 Å²	201	147.6 Å²	147.6	76%	0.758	72%	0.722	S	S	*	*			trans	68.6	92.6	143.3	-71.5	178.9	167.7	-177.2	-3	117.6
16	W	38.7	Very low	38.7	Very low	268 Å²	268	145.7 Å²	145.7	100%	1.015	71%	0.712	S	S	*	*	S	Bend	trans	-165.3	36.8	137.8	-96.3	94.7	0	0	0	110.8
17	G	43.6	Very low	39.4	Very low	39 Å²	39	146.5 Å²	146.5	40%	0.402	71%	0.712	S	S	.	*			trans	-129.5	9.1	-168.2	0	0	0	0	0	117.5
18	Q	43.3	Very low	40	Very low	170 Å²	170	145.1 Å²	145.1	79%	0.794	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-16.3	-171.9	-93.4	178.2	-30.6	0	0	115.8
19	L	41.8	Very low	40.9	Very low	164 Å²	164	136.8 Å²	136.8	86%	0.859	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-23.5	177	-79.5	160.2	0	0	0	113.9
20	V	46	Very low	41.4	Very low	100 Å²	100	140.6 Å²	140.6	61%	0.606	69%	0.687	S	S	*	*	H	α-helix	trans	-83.2	-23.8	176.4	179	0	0	0	0	112.3	I24	V20-I24 HydrophobicContact CG1-CD1 3.72Å; V20-I24 WeakPolarHBondContact O-CG1 3.37Å
21	R	42.4	Very low	42.2	Very low	198 Å²	198	138.8 Å²	138.8	75%	0.747	67%	0.672	S	S	*	*	H	α-helix	trans	-78.3	-20	179.9	-80.9	-176.3	171.8	-165.1	-1.9	114.8	R25	R21-R25 WeakPolarHBondContact O-CB 3.5Å; R21-R25 PolarHBondContact O-N 2.93Å
22	M	41.4	Very low	42.4	Very low	156 Å²	156	129.6 Å²	129.6	77%	0.768	65%	0.648	S	S	*	*	H	α-helix	trans	-82	-36.1	177.3	-98.3	179.4	163.5	0	0	112.8	A26	M22-A26 PolarHBondContact O-N 3.26Å
23	A	45.3	Very low	42.3	Very low	60 Å²	60	131.2 Å²	131.2	50%	0.496	65%	0.646	S	S	.	*	H	α-helix	trans	-70.4	-38.7	176.2	0	0	0	0	0	112.4	A26 Q27	A23-A26 PolarHBondContact O-N 3.22Å; A23-Q27 PolarHBondContact O-N 3.46Å
24	I	44.9	Very low	42.6	Very low	84 Å²	84	128 Å²	128	43%	0.431	63%	0.634	S	S	.	*	H	α-helix	trans	-73.4	-30.3	178.8	-61	169.6	0	0	0	111.8	V20 H28	V20-I24 HydrophobicContact CG1-CD1 3.72Å; V20-I24 WeakPolarHBondContact O-CG1 3.37Å; I24-H28 WeakPolarHBondContact O-CB 3.47Å; I24-H28 PolarHBondContact O-CD2 3.32Å; I24-H28 PolarHBondContact O-N 2.85Å
25	R	42.1	Very low	43	Very low	207 Å²	207	128.1 Å²	128.1	78%	0.781	63%	0.634	S	S	*	*	H	α-helix	trans	-70.6	-32.4	171.8	-98.5	-177.6	171	-174.6	-3.5	113.5	R21 S29	R21-R25 WeakPolarHBondContact O-CB 3.5Å; R21-R25 PolarHBondContact O-N 2.93Å; R25-S29 WeakPolarHBondContact O-CB 3.13Å; R25-S29 PolarHBondContact O-N 3.43Å
26	A	44.9	Very low	43.1	Very low	55 Å²	55	123.5 Å²	123.5	46%	0.455	63%	0.628	S	S	.	*	H	α-helix	trans	-76.8	-30.5	178.5	0	0	0	0	0	113.1	M22 A23 S29 K30	M22-A26 PolarHBondContact O-N 3.26Å; A23-A26 PolarHBondContact O-N 3.22Å; A26-S29 PolarHBondContact O-OG 3.29Å; A26-K30 PolarHBondContact O-N 3.23Å
27	Q	45	Very low	43.2	Very low	152 Å²	152	113.2 Å²	113.2	71%	0.71	61%	0.606	S	S	*	*	H	α-helix	trans	-79.9	-33.3	173	-81.1	-179.1	-37.4	0	0	112.9	A23 A31	A23-Q27 PolarHBondContact O-N 3.46Å; Q27-A31 PolarHBondContact O-N 3.18Å
28	H	41.7	Very low	43.5	Very low	130 Å²	130	119.4 Å²	119.4	60%	0.602	63%	0.625	S	S	*	*	H	α-helix	trans	-74	-24	169.5	-76.5	-47.1	0	0	0	113.6	I24 A32	I24-H28 WeakPolarHBondContact O-CB 3.47Å; I24-H28 PolarHBondContact O-CD2 3.32Å; I24-H28 PolarHBondContact O-N 2.85Å; H28-A32 WeakPolarHBondContact O-CB 3.27Å; H28-A32 PolarHBondContact O-N 2.92Å
29	S	46.5	Very low	43.9	Very low	54 Å²	54	115.4 Å²	115.4	38%	0.378	62%	0.621	S	S	.	*	H	α-helix	trans	-76.5	-31	173.1	83.4	0	0	0	0	112.8	R25 A26 Q33	R25-S29 WeakPolarHBondContact O-CB 3.13Å; R25-S29 PolarHBondContact O-N 3.43Å; A26-S29 PolarHBondContact O-OG 3.29Å; S29-Q33 WeakPolarHBondContact O-CB 3.24Å; S29-Q33 WeakPolarHBondContact O-CG 3.45Å; S29-Q33 PolarHBondContact O-N 3.19Å; S29-Q33 PolarHBondContact O-OE1 3.44Å
30	K	42.8	Very low	44.4	Very low	157 Å²	157	114.7 Å²	114.7	68%	0.683	62%	0.618	S	S	*	*	H	α-helix	trans	-74	-41	173.8	-87.5	-175.5	174.2	-177.7	0	112.7	A26 Q33 T34	A26-K30 PolarHBondContact O-N 3.23Å; K30-Q33 PolarHBondContact O-N 3.01Å; K30-T34 PolarHBondContact O-N 3.36Å; K30-T34 PolarHBondContact O-OG1 3.21Å
31	A	45.9	Very low	45.2	Very low	53 Å²	53	120.5 Å²	120.5	44%	0.438	63%	0.628	S	S	.	*	H	α-helix	trans	-69.8	-32.8	175.4	0	0	0	0	0	113	Q27 T34 Q35	Q27-A31 PolarHBondContact O-N 3.18Å; A31-T34 WeakPolarHBondContact CA-OG1 3.44Å; A31-T34 PolarHBondContact O-OG1 3.23Å; A31-T34 VanDerWaalsContact O-OG1 3.12Å; A31-Q35 PolarHBondContact O-N 3.01Å
32	A	40	Very low	47.1	Very low	51 Å²	51	113.5 Å²	113.5	42%	0.421	62%	0.618	S	S	.	*	H	α-helix	trans	-81.4	-18.3	172.7	0	0	0	0	0	113.8	H28 T36	H28-A32 WeakPolarHBondContact O-CB 3.27Å; H28-A32 PolarHBondContact O-N 2.92Å; A32-T36 WeakPolarHBondContact O-CB 3.49Å; A32-T36 WeakPolarHBondContact O-CG2 3.43Å; A32-T36 PolarHBondContact O-N 3.49Å; A32-T36 PolarHBondContact O-OG1 3.27Å
33	Q	40.7	Very low	49.6	Very low	137 Å²	137	116.6 Å²	116.6	64%	0.64	62%	0.621	S	S	*	*	H	α-helix	trans	-84.8	-22.8	170.7	-81.7	174.7	-29.8	0	0	112.9	S29 K30 T36	S29-Q33 WeakPolarHBondContact O-CB 3.24Å; S29-Q33 WeakPolarHBondContact O-CG 3.45Å; S29-Q33 PolarHBondContact O-N 3.19Å; S29-Q33 PolarHBondContact O-OE1 3.44Å; K30-Q33 PolarHBondContact O-N 3.01Å; Q33-T36 WeakPolarHBondContact CA-OG1 3.21Å
34	T	41.7	Very low	52.1	Low	100 Å²	100	117.6 Å²	117.6	61%	0.613	62%	0.622	S	S	*	*	H	α-helix	trans	-81.1	-25.1	170.3	42	0	0	0	0	113.1	K30 A31	K30-T34 PolarHBondContact O-N 3.36Å; K30-T34 PolarHBondContact O-OG1 3.21Å; A31-T34 WeakPolarHBondContact CA-OG1 3.44Å; A31-T34 PolarHBondContact O-OG1 3.23Å; A31-T34 VanDerWaalsContact O-OG1 3.12Å
35	Q	43.9	Very low	54.5	Low	155 Å²	155	116.1 Å²	116.1	72%	0.724	63%	0.627	S	S	*	*	H	α-helix	trans	-90	-11.6	174.9	-82.3	-174.7	-16.1	0	0	114.8	A31	A31-Q35 PolarHBondContact O-N 3.01Å
36	T	41.5	Very low	57.1	Low	103 Å²	103	114.5 Å²	114.5	63%	0.632	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-2.9	175.9	46.7	0	0	0	0	113.8	A32 Q33	A32-T36 WeakPolarHBondContact O-CB 3.49Å; A32-T36 WeakPolarHBondContact O-CG2 3.43Å; A32-T36 PolarHBondContact O-N 3.49Å; A32-T36 PolarHBondContact O-OG1 3.27Å; Q33-T36 WeakPolarHBondContact CA-OG1 3.21Å
37	G	42.3	Very low	59.7	Low	53 Å²	53	115.3 Å²	115.3	55%	0.546	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.3	-22.7	177.4	0	0	0	0	0	115.7
38	E	50.3	Low	62.2	Low	169 Å²	169	110.5 Å²	110.5	79%	0.79	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-26.4	-178.9	-78.1	179.3	163.7	0	0	113.2	N40	E38-N40 PolarHBondContact O-N 3.16Å
39	A	50.6	Low	64.9	Low	86 Å²	86	107.9 Å²	107.9	71%	0.711	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	10.9	-174.2	0	0	0	0	0	115.2
40	N	52.5	Low	67.4	Low	149 Å²	149	107.6 Å²	107.6	80%	0.797	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.9	23.9	-177.2	-140.1	14.5	0	0	0	115	E38 G42	E38-N40 PolarHBondContact O-N 3.16Å; N40-G42 PolarHBondContact O-N 3.08Å
41	R	63.6	Low	70	Confident	221 Å²	221	106.2 Å²	106.2	83%	0.834	59%	0.594	S	S	*	*			trans	-80.7	96	157.8	-70.4	-169.7	-174.1	-171.3	3.9	106.4
42	G	81.9	Confident	72.5	Confident	51 Å²	51	107.4 Å²	107.4	53%	0.526	60%	0.599	S	S	.	*			trans	-55.6	155.2	175.3	0	0	0	0	0	111.1	N40 T44	N40-G42 PolarHBondContact O-N 3.08Å; G42-T44 WeakPolarHBondContact O-CG2 3.33Å; G42-T44 PolarHBondContact O-N 2.83Å; G42-T44 VanDerWaalsContact O-N 3.1Å
43	W	93.8	Very high	75.2	Confident	221 Å²	221	108 Å²	108	84%	0.837	60%	0.596	S	S	*	*			trans	-57.1	115.2	179	-178.2	76.6	0	0	0	110.7
44	T	96.8	Very high	78	Confident	82 Å²	82	105.1 Å²	105.1	50%	0.503	59%	0.588	S	S	.	*			trans	-102.8	-20.5	-177	57.2	0	0	0	0	113	G42 Q46 E47	G42-T44 WeakPolarHBondContact O-CG2 3.33Å; G42-T44 PolarHBondContact O-N 2.83Å; G42-T44 VanDerWaalsContact O-N 3.1Å; T44-Q46 VanDerWaalsContact C-N 3.25Å; T44-Q46 PolarHBondContact OG1-N 3.03Å; T44-E47 PolarHBondContact N-OE1 3.13Å; T44-E47 VanDerWaalsContact OG1-CD 3.27Å; T44-E47 PolarHBondContact OG1-OE1 3.08Å; T44-E47 PolarHBondContact OG1-OE2 3.14Å
45	G	96.7	Very high	80.7	Confident	53 Å²	53	107.6 Å²	107.6	55%	0.546	59%	0.593	S	S	.	*	S	Bend	trans	70.6	23.7	-169.2	0	0	0	0	0	112.6	E47	G45-E47 WeakPolarHBondContact CA-OE2 3.4Å; G45-E47 PolarHBondContact N-OE2 3.1Å
46	Q	97.1	Very high	83.3	Confident	172 Å²	172	104.2 Å²	104.2	80%	0.804	58%	0.578	S	S	*	*			trans	-127.9	0.8	-179.5	-59.6	177.4	38	0	0	112.3	T44	T44-Q46 VanDerWaalsContact C-N 3.25Å; T44-Q46 PolarHBondContact OG1-N 3.03Å
47	E	97.6	Very high	86	Confident	72 Å²	72	101 Å²	101	34%	0.336	55%	0.554	S	S	.	*	S	Bend	trans	-61.1	146.6	173.1	-58.4	78.9	-173.4	0	0	110	T44 G45	T44-E47 PolarHBondContact N-OE1 3.13Å; T44-E47 VanDerWaalsContact OG1-CD 3.27Å; T44-E47 PolarHBondContact OG1-OE1 3.08Å; T44-E47 PolarHBondContact OG1-OE2 3.14Å; G45-E47 WeakPolarHBondContact CA-OE2 3.4Å; G45-E47 PolarHBondContact N-OE2 3.1Å
48	S	98.3	Very high	88.7	Confident	52 Å²	52	103.4 Å²	103.4	36%	0.364	55%	0.552	S	S	.	*			trans	-68.2	153.3	173.6	82.4	0	0	0	0	110	S50 D51 S52	S48-S50 PolarHBondContact O-N 2.68Å; S48-D51 PolarHBondContact O-N 3.08Å; S48-D51 PolarHBondContact OG-N 2.98Å; S48-D51 VanDerWaalsContact OG-N 3.12Å; S48-D51 PolarHBondContact OG-OD2 3.03Å; S48-S52 VanDerWaalsContact O-CB 3.26Å; S48-S52 WeakPolarHBondContact O-CB 3.45Å; S48-S52 PolarHBondContact O-N 2.83Å
49	L	98.4	Very high	91	Very high	74 Å²	74	99 Å²	99	39%	0.387	53%	0.533	S	S	.	.	H	α-helix	trans	-61.7	-36.2	174.8	-175.9	63.1	0	0	0	111.4	D51 S52 D53 M56 W57 L60	L49-D51 VanDerWaalsContact C-N 3.29Å; L49-D51 PolarHBondContact O-N 2.94Å; L49-S52 PolarHBondContact O-N 2.8Å; L49-D53 HydrophobicContact CD1-CB 3.88Å; L49-D53 CarbonylContact O-C 3.39Å; L49-D53 WeakPolarHBondContact O-CA 3.46Å; L49-D53 PolarHBondContact O-N 3.28Å; L49-D53 VanDerWaalsContact O-O 3.11Å; L49-M56 HydrophobicContact CD1-CB 4.48Å; L49-M56 HydrophobicContact CD1-CG 4.46Å; L49-M56 HydrophobicContact CD2-CG 4.26Å; L49-W57 HydrophobicContact CB-CE3 4.38Å; L49-W57 HydrophobicContact CD2-CE3 4.32Å; L49-W57 HydrophobicContact CG-CE3 4.47Å; L49-L60 HydrophobicContact CD2-CD1 3.56Å
50	S	98.4	Very high	93.3	Very high	49 Å²	49	97.6 Å²	97.6	34%	0.343	51%	0.513	S	S	.	.	H	α-helix	trans	-60.5	-36.5	177.4	-174.9	0	0	0	0	112.8	S48	S48-S50 PolarHBondContact O-N 2.68Å
51	D	97.6	Very high	95.5	Very high	128 Å²	128	93.3 Å²	93.3	68%	0.684	49%	0.488	S	S	*	.	H	α-helix	trans	-84.5	-41.5	178.1	-58.2	-47.3	0	0	0	111.7	S48 L49	S48-D51 PolarHBondContact O-N 3.08Å; S48-D51 PolarHBondContact OG-N 2.98Å; S48-D51 VanDerWaalsContact OG-N 3.12Å; S48-D51 PolarHBondContact OG-OD2 3.03Å; L49-D51 VanDerWaalsContact C-N 3.29Å; L49-D51 PolarHBondContact O-N 2.94Å
52	S	98.1	Very high	97.2	Very high	78 Å²	78	90.5 Å²	90.5	55%	0.545	48%	0.478	S	S	.	.	H	α-helix	trans	-75.7	-37.9	-174.1	-176.2	0	0	0	0	113.2	S48 L49	S48-S52 VanDerWaalsContact O-CB 3.26Å; S48-S52 WeakPolarHBondContact O-CB 3.45Å; S48-S52 PolarHBondContact O-N 2.83Å; L49-S52 PolarHBondContact O-N 2.8Å
53	D	98.4	Very high	98	Very high	64 Å²	64	91.7 Å²	91.7	34%	0.342	47%	0.47	S	S	.	.			trans	-146.1	77.9	-178.1	-168.7	-19.2	0	0	0	110.1	L49 E55 M56 W57	L49-D53 HydrophobicContact CD1-CB 3.88Å; L49-D53 CarbonylContact O-C 3.39Å; L49-D53 WeakPolarHBondContact O-CA 3.46Å; L49-D53 PolarHBondContact O-N 3.28Å; L49-D53 VanDerWaalsContact O-O 3.11Å; D53-E55 PolarHBondContact O-N 3.16Å; D53-E55 PolarHBondContact OD1-N 3.37Å; D53-M56 HydrophobicContact CB-CB 4.17Å; D53-M56 VanDerWaalsContact CG-CB 3.5Å; D53-M56 PolarHBondContact O-N 3.05Å; D53-M56 PolarHBondContact OD1-N 3.16Å; D53-W57 PolarHBondContact O-N 3.46Å
54	P	98.4	Very high	98.3	Very high	75 Å²	75	81.9 Å²	81.9	49%	0.487	43%	0.433	S	S	.	.	H	α-helix	trans	-63.7	-25.6	179.3	24.5	-34.1	0	0	0	112.8	W57 E58	P54-W57 PolarHBondContact O-N 3.26Å; P54-E58 VanDerWaalsContact O-CG 3.31Å; P54-E58 WeakPolarHBondContact O-CG 3.44Å; P54-E58 PolarHBondContact O-N 2.8Å
55	E	98.7	Very high	98.4	Very high	153 Å²	153	80.7 Å²	80.7	72%	0.715	42%	0.424	S	S	*	.	H	α-helix	trans	-66.3	-47.2	176.7	-177.5	177.1	-171.4	0	0	110.7	D53 W57 L59	D53-E55 PolarHBondContact O-N 3.16Å; D53-E55 PolarHBondContact OD1-N 3.37Å; E55-W57 VanDerWaalsContact C-N 3.35Å; E55-L59 WeakPolarHBondContact O-CG 3.34Å; E55-L59 PolarHBondContact O-N 2.7Å
56	M	98.8	Very high	98.5	Very high	83 Å²	83	81.1 Å²	81.1	41%	0.409	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-40.6	174.7	-175.3	56.8	60.8	0	0	111.7	L49 D53 E58 L59 L60	L49-M56 HydrophobicContact CD1-CB 4.48Å; L49-M56 HydrophobicContact CD1-CG 4.46Å; L49-M56 HydrophobicContact CD2-CG 4.26Å; D53-M56 HydrophobicContact CB-CB 4.17Å; D53-M56 VanDerWaalsContact CG-CB 3.5Å; D53-M56 PolarHBondContact O-N 3.05Å; D53-M56 PolarHBondContact OD1-N 3.16Å; M56-E58 PolarHBondContact O-N 2.63Å; M56-L59 WeakPolarHBondContact O-CB 3.31Å; M56-L59 PolarHBondContact O-N 3Å; M56-L60 WeakPolarHBondContact O-CG 3.3Å; M56-L60 PolarHBondContact O-N 3.04Å; M56-L60 VanDerWaalsContact O-N 3.09Å
57	W	98.8	Very high	98.6	Very high	35 Å²	35	75.3 Å²	75.3	13%	0.133	38%	0.381	C	S	.	.	H	α-helix	trans	-58.6	-46.9	178.6	-178.5	-106.3	0	0	0	112.7	L49 D53 P54 E55 L59 L60 Q61 E503 H504	L49-W57 HydrophobicContact CB-CE3 4.38Å; L49-W57 HydrophobicContact CD2-CE3 4.32Å; L49-W57 HydrophobicContact CG-CE3 4.47Å; D53-W57 PolarHBondContact O-N 3.46Å; P54-W57 PolarHBondContact O-N 3.26Å; E55-W57 VanDerWaalsContact C-N 3.35Å; W57-L59 VanDerWaalsContact C-N 3.28Å; W57-L59 PolarHBondContact O-N 3.19Å; W57-L60 HydrophobicContact CE3-CD1 4.44Å; W57-L60 WeakPolarHBondContact O-CB 3.35Å; W57-L60 PolarHBondContact O-N 3.39Å; W57-L60 VanDerWaalsContact O-N 3.09Å; W57-Q61 HydrophobicContact CZ2-CG 4.47Å; W57-Q61 VanDerWaalsContact NE1-CD 3.29Å; W57-Q61 PolarHBondContact O-N 3.42Å; W57-E503 HydrophobicContact CH2-CB 4.08Å; W57-E503 HydrophobicContact CZ2-CB 3.98Å; W57-H504 HydrophobicContact CH2-CB 4.45Å; W57-H504 AromaticContact CH2-ND1 3.77Å; W57-H504 HydrophobicContact CZ3-CB 4.21Å; W57-H504 AromaticContact CZ3-ND1 3.85Å
58	E	98.8	Very high	98.6	Very high	105 Å²	105	73.1 Å²	73.1	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-34.9	177	-73.2	-68.3	159.8	0	0	112.4	P54 M56 Q61 R62	P54-E58 VanDerWaalsContact O-CG 3.31Å; P54-E58 WeakPolarHBondContact O-CG 3.44Å; P54-E58 PolarHBondContact O-N 2.8Å; M56-E58 PolarHBondContact O-N 2.63Å; E58-Q61 PolarHBondContact O-N 2.99Å; E58-R62 WeakPolarHBondContact O-CB 3.43Å; E58-R62 WeakPolarHBondContact O-CD 3.49Å; E58-R62 VanDerWaalsContact O-CG 3.24Å; E58-R62 WeakPolarHBondContact O-CG 3.47Å; E58-R62 PolarHBondContact O-N 3.31Å
59	L	98.9	Very high	98.6	Very high	77 Å²	77	72.9 Å²	72.9	40%	0.403	37%	0.365	S	S	.	.	H	α-helix	trans	-65	-41	173.8	-68.6	172.9	0	0	0	111.8	E55 M56 W57 R62 E63	E55-L59 WeakPolarHBondContact O-CG 3.34Å; E55-L59 PolarHBondContact O-N 2.7Å; M56-L59 WeakPolarHBondContact O-CB 3.31Å; M56-L59 PolarHBondContact O-N 3Å; W57-L59 VanDerWaalsContact C-N 3.28Å; W57-L59 PolarHBondContact O-N 3.19Å; L59-R62 PolarHBondContact O-N 3.08Å; L59-E63 PolarHBondContact O-N 2.64Å; L59-E63 VanDerWaalsContact O-N 3.08Å
60	L	98.8	Very high	98.6	Very high	55 Å²	55	69.6 Å²	69.6	29%	0.288	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-46.4	175.5	-63.7	-179.9	0	0	0	111.3	L49 M56 W57 R62 E63 K64 H504	L49-L60 HydrophobicContact CD2-CD1 3.56Å; M56-L60 WeakPolarHBondContact O-CG 3.3Å; M56-L60 PolarHBondContact O-N 3.04Å; M56-L60 VanDerWaalsContact O-N 3.09Å; W57-L60 HydrophobicContact CE3-CD1 4.44Å; W57-L60 WeakPolarHBondContact O-CB 3.35Å; W57-L60 PolarHBondContact O-N 3.39Å; W57-L60 VanDerWaalsContact O-N 3.09Å; L60-R62 VanDerWaalsContact C-N 3.32Å; L60-R62 PolarHBondContact O-N 2.75Å; L60-E63 PolarHBondContact O-N 2.79Å; L60-K64 WeakPolarHBondContact O-CB 3.31Å; L60-K64 PolarHBondContact O-N 2.99Å; L60-H504 HydrophobicContact CB-CB 3.98Å; L60-H504 HydrophobicContact CD1-CB 4.22Å
61	Q	98.8	Very high	98.7	Very high	59 Å²	59	67.2 Å²	67.2	28%	0.276	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-39.4	178.8	-68.7	-169.5	-53.4	0	0	112.2	W57 E58 K64 D65	W57-Q61 HydrophobicContact CZ2-CG 4.47Å; W57-Q61 VanDerWaalsContact NE1-CD 3.29Å; W57-Q61 PolarHBondContact O-N 3.42Å; E58-Q61 PolarHBondContact O-N 2.99Å; Q61-K64 PolarHBondContact O-N 3.23Å; Q61-D65 WeakPolarHBondContact O-CB 3.28Å; Q61-D65 PolarHBondContact O-N 3.32Å
62	R	98.8	Very high	98.7	Very high	163 Å²	163	61.3 Å²	61.3	62%	0.615	30%	0.3	S	S	*	.	H	α-helix	trans	-66.8	-39.5	176.8	-74.2	165.1	56.4	-160.3	-5.2	113.1	E58 L59 L60 R66	E58-R62 WeakPolarHBondContact O-CB 3.43Å; E58-R62 WeakPolarHBondContact O-CD 3.49Å; E58-R62 VanDerWaalsContact O-CG 3.24Å; E58-R62 WeakPolarHBondContact O-CG 3.47Å; E58-R62 PolarHBondContact O-N 3.31Å; L59-R62 PolarHBondContact O-N 3.08Å; L60-R62 VanDerWaalsContact C-N 3.32Å; L60-R62 PolarHBondContact O-N 2.75Å; R62-R66 PolarHBondContact O-N 2.87Å
63	E	98.9	Very high	98.8	Very high	76 Å²	76	57.6 Å²	57.6	36%	0.355	27%	0.274	S	S	.	.	H	α-helix	trans	-70.6	-38.8	174.5	175.8	53.8	-158	0	0	111.3	L59 L60 D65 R66 Q67	L59-E63 PolarHBondContact O-N 2.64Å; L59-E63 VanDerWaalsContact O-N 3.08Å; L60-E63 PolarHBondContact O-N 2.79Å; E63-D65 VanDerWaalsContact C-N 3.34Å; E63-D65 PolarHBondContact O-N 3.23Å; E63-R66 VanDerWaalsContact CD-NE 3.34Å; E63-R66 WeakPolarHBondContact O-CB 3.5Å; E63-R66 PolarHBondContact O-N 3.01Å; E63-R66 VanDerWaalsContact O-N 3.17Å; E63-R66 IonicContact OE1-CZ 2.65Å; E63-R66 IonicContact OE1-NE 2.86Å; E63-R66 PolarHBondContact OE1-NE 3.29Å; E63-R66 IonicContact OE1-NH2 2.98Å; E63-R66 PolarHBondContact OE1-NH2 3.44Å; E63-R66 WeakPolarHBondContact OE2-CD 3.44Å; E63-R66 IonicContact OE2-CZ 2.82Å; E63-R66 IonicContact OE2-NE 3.81Å; E63-R66 PolarHBondContact OE2-NE 2.88Å; E63-Q67 WeakPolarHBondContact O-CG 3.48Å; E63-Q67 PolarHBondContact O-N 3Å; E63-Q67 WeakPolarHBondContact OE1-CG 3.33Å; E63-Q67 PolarHBondContact OE1-NE2 3.29Å
64	K	98.8	Very high	98.8	Very high	15 Å²	15	55.8 Å²	55.8	7%	0.065	26%	0.264	C	S	.	.	H	α-helix	trans	-57.3	-48.5	173.3	-175.7	57	164.6	-145.5	0	111.3	L60 Q61 R66 Q67 C68 F501 H504	L60-K64 WeakPolarHBondContact O-CB 3.31Å; L60-K64 PolarHBondContact O-N 2.99Å; Q61-K64 PolarHBondContact O-N 3.23Å; K64-R66 VanDerWaalsContact C-N 3.33Å; K64-R66 PolarHBondContact O-N 3.21Å; K64-Q67 PolarHBondContact O-N 2.74Å; K64-C68 PolarHBondContact O-N 3.05Å; K64-C68 PolarHBondContact O-SG 2.62Å; K64-F501 WeakPolarHBondContact CE-O 3.42Å; K64-F501 PolarHBondContact NZ-O 3.36Å; K64-H504 PolarHBondContact NZ-O 3.34Å
65	D	98.8	Very high	98.8	Very high	57 Å²	57	52.3 Å²	52.3	31%	0.305	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-38.5	176.7	-172	63.3	0	0	0	112.3	Q61 E63 Q67 C68 R69 R494	Q61-D65 WeakPolarHBondContact O-CB 3.28Å; Q61-D65 PolarHBondContact O-N 3.32Å; E63-D65 VanDerWaalsContact C-N 3.34Å; E63-D65 PolarHBondContact O-N 3.23Å; D65-Q67 PolarHBondContact O-N 3.37Å; D65-C68 PolarHBondContact O-N 2.84Å; D65-R69 WeakPolarHBondContact O-CB 3.36Å; D65-R69 VanDerWaalsContact O-CG 3.29Å; D65-R69 WeakPolarHBondContact O-CG 3.42Å; D65-R69 PolarHBondContact O-N 2.75Å; D65-R69 WeakPolarHBondContact OD2-CD 3.36Å; D65-R69 IonicContact OD2-CZ 3.05Å; D65-R69 IonicContact OD2-NE 3.15Å; D65-R69 IonicContact OD2-NH1 3.91Å; D65-R69 PolarHBondContact OD2-NH1 3.15Å; D65-R494 VanDerWaalsContact CG-NH2 3.28Å; D65-R494 IonicContact OD1-CZ 3.91Å; D65-R494 IonicContact OD1-NH1 2.75Å; D65-R494 PolarHBondContact OD1-NH1 2.72Å; D65-R494 IonicContact OD1-NH2 3.93Å; D65-R494 PolarHBondContact OD1-NH2 3.36Å; D65-R494 IonicContact OD2-NH2 2.88Å; D65-R494 PolarHBondContact OD2-NH2 3.36Å
66	R	98.8	Very high	98.7	Very high	62 Å²	62	46.6 Å²	46.6	23%	0.234	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-47.1	174.6	-171.6	-154	67.2	83.3	-3.9	111.1	R62 E63 K64 G70 E72	R62-R66 PolarHBondContact O-N 2.87Å; E63-R66 VanDerWaalsContact CD-NE 3.34Å; E63-R66 WeakPolarHBondContact O-CB 3.5Å; E63-R66 PolarHBondContact O-N 3.01Å; E63-R66 VanDerWaalsContact O-N 3.17Å; E63-R66 IonicContact OE1-CZ 2.65Å; E63-R66 IonicContact OE1-NE 2.86Å; E63-R66 PolarHBondContact OE1-NE 3.29Å; E63-R66 IonicContact OE1-NH2 2.98Å; E63-R66 PolarHBondContact OE1-NH2 3.44Å; E63-R66 WeakPolarHBondContact OE2-CD 3.44Å; E63-R66 IonicContact OE2-CZ 2.82Å; E63-R66 IonicContact OE2-NE 3.81Å; E63-R66 PolarHBondContact OE2-NE 2.88Å; K64-R66 VanDerWaalsContact C-N 3.33Å; K64-R66 PolarHBondContact O-N 3.21Å; R66-G70 PolarHBondContact O-N 3.44Å; R66-E72 IonicContact CZ-OE2 3.67Å; R66-E72 IonicContact NH1-OE2 2.65Å; R66-E72 PolarHBondContact NH1-OE2 3.34Å; R66-E72 IonicContact NH2-OE2 3.96Å
67	Q	98.8	Very high	98.7	Very high	49 Å²	49	46.1 Å²	46.1	23%	0.229	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-41.8	178.5	-69	178.6	24.3	0	0	111.7	E63 K64 D65 R69 F79 R434 M498	E63-Q67 WeakPolarHBondContact O-CG 3.48Å; E63-Q67 PolarHBondContact O-N 3Å; E63-Q67 WeakPolarHBondContact OE1-CG 3.33Å; E63-Q67 PolarHBondContact OE1-NE2 3.29Å; K64-Q67 PolarHBondContact O-N 2.74Å; D65-Q67 PolarHBondContact O-N 3.37Å; Q67-R69 PolarHBondContact O-N 2.99Å; Q67-F79 HydrophobicContact CB-CE1 4.08Å; Q67-F79 HydrophobicContact CG-CE1 4.25Å; Q67-R434 PolarHBondContact O-NH1 3.32Å; Q67-M498 VanDerWaalsContact C-CE 3.42Å; Q67-M498 HydrophobicContact CB-CE 3.97Å; Q67-M498 WeakPolarHBondContact O-CE 3.35Å
68	C	98.7	Very high	98.7	Very high	26 Å²	26	46 Å²	46	18%	0.176	22%	0.217	C	C	.	.	H	α-helix	trans	-63.8	-38.9	179.7	-72.9	0	0	0	0	112.7	K64 D65 R434	K64-C68 PolarHBondContact O-N 3.05Å; K64-C68 PolarHBondContact O-SG 2.62Å; D65-C68 PolarHBondContact O-N 2.84Å; C68-R434 PolarHBondContact O-NH1 3.05Å; C68-R434 PolarHBondContact O-NH2 2.96Å
69	R	98.6	Very high	98.7	Very high	48 Å²	48	41.5 Å²	41.5	18%	0.181	20%	0.196	C	C	.	.	H	α-helix	trans	-91	-12.1	-177.7	81.6	-170.2	-177.1	-107.5	-11.1	114.7	D65 Q67 E490 A493 R494	D65-R69 WeakPolarHBondContact O-CB 3.36Å; D65-R69 VanDerWaalsContact O-CG 3.29Å; D65-R69 WeakPolarHBondContact O-CG 3.42Å; D65-R69 PolarHBondContact O-N 2.75Å; D65-R69 WeakPolarHBondContact OD2-CD 3.36Å; D65-R69 IonicContact OD2-CZ 3.05Å; D65-R69 IonicContact OD2-NE 3.15Å; D65-R69 IonicContact OD2-NH1 3.91Å; D65-R69 PolarHBondContact OD2-NH1 3.15Å; Q67-R69 PolarHBondContact O-N 2.99Å; R69-E490 HydrophobicContact CB-CB 4.13Å; R69-E490 HydrophobicContact CB-CG 3.96Å; R69-E490 WeakPolarHBondContact CD-OE1 3.48Å; R69-E490 HydrophobicContact CG-CG 3.92Å; R69-E490 IonicContact NE-OE1 3.05Å; R69-E490 PolarHBondContact NE-OE1 3.34Å; R69-E490 WeakPolarHBondContact O-CA 3.27Å; R69-A493 WeakPolarHBondContact O-CB 3.18Å; R69-R494 HydrophobicContact CB-CG 4.26Å
70	G	98.7	Very high	98.7	Very high	4 Å²	4	39 Å²	39	4%	0.041	19%	0.185	C	C	.	.	S	Bend	trans	-89.6	153	-177	0	0	0	0	0	114.1	R66 S404 R434	R66-G70 PolarHBondContact O-N 3.44Å; G70-S404 CarbonylContact C-O 3.59Å; G70-S404 WeakPolarHBondContact CA-O 3.48Å; G70-R434 PolarHBondContact O-NH1 3.23Å
71	L	98.9	Very high	98.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	95.3	163.3	-66.8	177.4	0	0	0	109.6	L73 S404 I405 T406 L431 F436 V444 F447 V489 F492 A493	L71-L73 PolarHBondContact O-N 2.92Å; L71-S404 PolarHBondContact N-O 3.39Å; L71-I405 HydrophobicContact CB-CG1 4.22Å; L71-I405 HydrophobicContact CD1-CD1 4.42Å; L71-I405 HydrophobicContact CD1-CG1 4.16Å; L71-T406 PolarHBondContact O-N 3.43Å; L71-T406 VanDerWaalsContact O-N 3.07Å; L71-L431 HydrophobicContact CB-CD1 4.36Å; L71-L431 HydrophobicContact CD2-CD1 4.01Å; L71-L431 HydrophobicContact CD2-CD2 4.13Å; L71-F436 HydrophobicContact CD2-CE1 3.78Å; L71-F436 HydrophobicContact CD2-CZ 3.68Å; L71-V444 HydrophobicContact CD1-CG1 4.49Å; L71-V444 HydrophobicContact CD1-CG2 4.09Å; L71-V444 HydrophobicContact CD2-CG2 4.22Å; L71-F447 HydrophobicContact CD1-CD2 4.07Å; L71-V489 HydrophobicContact CD1-CG1 3.73Å; L71-V489 HydrophobicContact CG-CG1 3.86Å; L71-F492 HydrophobicContact CD1-CD1 4.46Å; L71-F492 HydrophobicContact CD2-CD1 4.22Å; L71-F492 HydrophobicContact CD2-CE1 4.42Å; L71-A493 HydrophobicContact CD2-CB 3.95Å; L71-A493 HydrophobicContact CG-CB 4.34Å
72	E	98.8	Very high	98.7	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	104	-177.4	-166.4	60.5	-100	0	0	111.6	R66 I74 E77 F79 T406 A430	R66-E72 IonicContact CZ-OE2 3.67Å; R66-E72 IonicContact NH1-OE2 2.65Å; R66-E72 PolarHBondContact NH1-OE2 3.34Å; R66-E72 IonicContact NH2-OE2 3.96Å; E72-I74 WeakPolarHBondContact OE1-CG1 3.4Å; E72-E77 VanDerWaalsContact CD-OE2 3.32Å; E72-E77 HydrophobicContact CG-CB 4.06Å; E72-F79 HydrophobicContact CB-CZ 4.11Å; E72-F79 HydrophobicContact CG-CZ 4.45Å; E72-T406 WeakPolarHBondContact CA-OG1 3.46Å; E72-T406 WeakPolarHBondContact OE1-CB 3.46Å; E72-T406 PolarHBondContact OE1-OG1 3.25Å; E72-T406 PolarHBondContact OE2-OG1 3.11Å; E72-A430 HydrophobicContact CB-CB 4Å; E72-A430 HydrophobicContact CG-CB 3.98Å
73	L	98.9	Very high	98.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.			trans	-112.7	8.3	-178.3	-62.2	175	0	0	0	112.9	L71 A75 I405 T406 L426 G427 L431 F441 V444 I448	L71-L73 PolarHBondContact O-N 2.92Å; L73-A75 PolarHBondContact O-N 2.91Å; L73-A75 VanDerWaalsContact O-N 3.14Å; L73-I405 HydrophobicContact CD1-CG2 3.7Å; L73-T406 CarbonylContact C-O 3.47Å; L73-T406 VanDerWaalsContact CA-O 3.29Å; L73-T406 WeakPolarHBondContact CA-O 3.36Å; L73-T406 WeakPolarHBondContact CB-O 3.38Å; L73-T406 PolarHBondContact N-O 3.13Å; L73-L426 HydrophobicContact CB-CD2 4.08Å; L73-L426 HydrophobicContact CD1-CD2 4.06Å; L73-L426 CarbonylContact O-C 3.56Å; L73-L426 WeakPolarHBondContact O-CA 3.33Å; L73-G427 PolarHBondContact O-N 2.98Å; L73-L431 HydrophobicContact CD2-CD1 3.59Å; L73-L431 HydrophobicContact CD2-CG 4.36Å; L73-L431 HydrophobicContact CG-CD1 4.4Å; L73-F441 HydrophobicContact CD2-CE1 4.34Å; L73-V444 HydrophobicContact CD1-CG1 3.78Å; L73-V444 HydrophobicContact CD2-CG1 4.15Å; L73-V444 HydrophobicContact CG-CG1 4.49Å; L73-I448 HydrophobicContact CD1-CD1 3.67Å; L73-I448 HydrophobicContact CD1-CG1 4.29Å
74	I	98.7	Very high	98.7	Very high	26 Å²	26	30.8 Å²	30.8	13%	0.133	16%	0.156	C	C	.	.			trans	-65.5	113.5	171	-59.9	-70.9	0	0	0	109.1	E72 S76 E77 T406 A407 N408	E72-I74 WeakPolarHBondContact OE1-CG1 3.4Å; I74-S76 WeakPolarHBondContact CG2-OG 3.28Å; I74-S76 PolarHBondContact O-N 3.32Å; I74-E77 HydrophobicContact CB-CB 4.2Å; I74-E77 HydrophobicContact CB-CG 3.91Å; I74-E77 HydrophobicContact CG2-CB 4.38Å; I74-E77 HydrophobicContact CG2-CG 3.75Å; I74-E77 PolarHBondContact O-N 3.08Å; I74-T406 PolarHBondContact N-O 3.07Å; I74-A407 WeakPolarHBondContact CD1-O 3.37Å; I74-N408 HydrophobicContact CD1-CB 3.67Å
75	A	98.4	Very high	98.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-7.9	-173.5	0	0	0	0	0	116.1	L73 H380 L381 R425	L73-A75 PolarHBondContact O-N 2.91Å; L73-A75 VanDerWaalsContact O-N 3.14Å; A75-H380 PolarHBondContact O-CD2 3.44Å; A75-H380 PolarHBondContact O-NE2 3.16Å; A75-L381 HydrophobicContact CB-CB 3.77Å; A75-L381 HydrophobicContact CB-CD2 4.09Å; A75-R425 HydrophobicContact CB-CG 4.22Å
76	S	98.1	Very high	98.7	Very high	34 Å²	34	34.3 Å²	34.3	24%	0.238	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-5.8	174	46.8	0	0	0	0	113.7	I74 K280	I74-S76 WeakPolarHBondContact CG2-OG 3.28Å; I74-S76 PolarHBondContact O-N 3.32Å; S76-K280 WeakPolarHBondContact O-CG 3.29Å
77	E	98.7	Very high	98.7	Very high	73 Å²	73	32.2 Å²	32.2	34%	0.341	17%	0.168	S	C	.	.			trans	-95.1	156.8	-179.7	-67.9	-162	-163.8	0	0	112.4	E72 I74	E72-E77 VanDerWaalsContact CD-OE2 3.32Å; E72-E77 HydrophobicContact CG-CB 4.06Å; I74-E77 HydrophobicContact CB-CB 4.2Å; I74-E77 HydrophobicContact CB-CG 3.91Å; I74-E77 HydrophobicContact CG2-CB 4.38Å; I74-E77 HydrophobicContact CG2-CG 3.75Å; I74-E77 PolarHBondContact O-N 3.08Å
78	N	98.8	Very high	98.7	Very high	31 Å²	31	32.7 Å²	32.7	17%	0.166	17%	0.172	C	C	.	.			trans	-165	167.3	176.3	-147.8	-28.6	0	0	0	109.2	K280 R283 Y350 S433	N78-K280 VanDerWaalsContact CB-O 3.26Å; N78-K280 WeakPolarHBondContact CB-O 3.3Å; N78-K280 PolarHBondContact ND2-O 2.89Å; N78-R283 HydrophobicContact CB-CG 4.27Å; N78-R283 WeakPolarHBondContact OD1-CD 3.24Å; N78-Y350 PolarHBondContact ND2-OH 3.31Å; N78-S433 WeakPolarHBondContact OD1-CB 3.32Å; N78-S433 PolarHBondContact OD1-OG 3.22Å
79	F	98.9	Very high	98.7	Very high	12 Å²	12	34.8 Å²	34.8	5%	0.053	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-103.9	118.6	177.7	-57.2	-64.7	0	0	0	110.5	Q67 E72 R283 A430 R434 M498 P499	Q67-F79 HydrophobicContact CB-CE1 4.08Å; Q67-F79 HydrophobicContact CG-CE1 4.25Å; E72-F79 HydrophobicContact CB-CZ 4.11Å; E72-F79 HydrophobicContact CG-CZ 4.45Å; F79-R283 WeakPolarHBondContact O-CD 3.35Å; F79-R283 WeakPolarHBondContact O-CG 3.45Å; F79-A430 HydrophobicContact CD2-CB 4.32Å; F79-A430 WeakPolarHBondContact CD2-O 3.16Å; F79-A430 HydrophobicContact CE2-CB 3.85Å; F79-A430 HydrophobicContact CZ-CB 4.39Å; F79-R434 HydrophobicContact CD2-CG 3.84Å; F79-R434 HydrophobicContact CE2-CG 3.75Å; F79-M498 HydrophobicContact CB-SD 4.31Å; F79-M498 HydrophobicContact CD1-CE 4.28Å; F79-M498 HydrophobicContact CD1-SD 3.57Å; F79-M498 VanDerWaalsContact CD1-SD 3.57Å; F79-M498 HydrophobicContact CD2-SD 3.93Å; F79-M498 HydrophobicContact CE1-CE 3.87Å; F79-M498 HydrophobicContact CE1-SD 3.8Å; F79-M498 HydrophobicContact CE2-CE 4.11Å; F79-M498 HydrophobicContact CE2-SD 4.13Å; F79-M498 HydrophobicContact CG-SD 3.65Å; F79-M498 HydrophobicContact CZ-CE 3.77Å; F79-M498 HydrophobicContact CZ-SD 4.07Å; F79-P499 HydrophobicContact CB-CB 3.9Å; F79-P499 HydrophobicContact CB-CG 3.87Å
80	C	98.8	Very high	98.8	Very high	23 Å²	23	34.3 Å²	34.3	16%	0.155	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-68.6	147.9	-179.1	-162.8	0	0	0	0	110.7	L85	C80-L85 HydrophobicContact CB-CD1 4.36Å; C80-L85 HydrophobicContact CB-CD2 3.9Å; C80-L85 HydrophobicContact CB-CG 4.03Å
81	S	98.9	Very high	98.8	Very high	18 Å²	18	38.7 Å²	38.7	13%	0.126	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-71.5	146.9	175.8	69.8	0	0	0	0	111.3	A83 A84 L85 Q341	S81-A83 VanDerWaalsContact C-N 3.25Å; S81-A83 PolarHBondContact O-N 2.77Å; S81-A84 PolarHBondContact O-N 3.43Å; S81-A84 VanDerWaalsContact O-N 3.07Å; S81-A84 PolarHBondContact OG-N 2.88Å; S81-L85 PolarHBondContact O-N 3.37Å; S81-L85 VanDerWaalsContact O-N 3.11Å; S81-Q341 PolarHBondContact OG-NE2 3.21Å; S81-Q341 PolarHBondContact OG-OE1 3.23Å
82	R	98.9	Very high	98.8	Very high	121 Å²	121	39.9 Å²	39.9	46%	0.457	24%	0.238	S	C	.	.	H	α-helix	trans	-50.2	-46	174.7	-178.8	177.9	163.2	162.5	1.3	112.1	A84 L85 E86 F501	R82-A84 VanDerWaalsContact C-N 3.31Å; R82-A84 PolarHBondContact O-N 2.92Å; R82-L85 CarbonylContact O-C 3.58Å; R82-L85 WeakPolarHBondContact O-CB 3.48Å; R82-L85 PolarHBondContact O-N 2.87Å; R82-E86 HydrophobicContact CG-CG 4.24Å; R82-E86 IonicContact CZ-OE1 3.51Å; R82-E86 IonicContact NE-OE1 4Å; R82-E86 PolarHBondContact NE-OE1 2.64Å; R82-E86 IonicContact NH2-OE1 3.41Å; R82-E86 PolarHBondContact NH2-OE1 3.23Å; R82-E86 WeakPolarHBondContact O-CG 3.21Å; R82-E86 PolarHBondContact O-N 2.82Å; R82-F501 HydrophobicContact CG-CD1 3.89Å; R82-F501 HydrophobicContact CG-CE1 3.73Å; R82-F501 HydrophobicContact CG-CZ 4.25Å
83	A	98.9	Very high	98.8	Very high	42 Å²	42	44.6 Å²	44.6	35%	0.347	26%	0.263	S	S	.	.	H	α-helix	trans	-59	-38	179.7	0	0	0	0	0	113.7	S81 A87 V337	S81-A83 VanDerWaalsContact C-N 3.25Å; S81-A83 PolarHBondContact O-N 2.77Å; A83-A87 PolarHBondContact O-N 2.96Å; A83-V337 HydrophobicContact CB-CG1 3.95Å
84	A	98.8	Very high	98.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-73.2	-34.2	176.3	0	0	0	0	0	111.7	S81 R82 A87 L88 A334 V337	S81-A84 PolarHBondContact O-N 3.43Å; S81-A84 VanDerWaalsContact O-N 3.07Å; S81-A84 PolarHBondContact OG-N 2.88Å; R82-A84 VanDerWaalsContact C-N 3.31Å; R82-A84 PolarHBondContact O-N 2.92Å; A84-A87 PolarHBondContact O-N 3.31Å; A84-L88 PolarHBondContact O-N 2.92Å; A84-L88 VanDerWaalsContact O-N 3.16Å; A84-A334 HydrophobicContact CB-CB 4.47Å; A84-A334 WeakPolarHBondContact O-CB 3.13Å; A84-V337 HydrophobicContact CB-CB 4.44Å; A84-V337 HydrophobicContact CB-CG1 4.17Å
85	L	98.8	Very high	98.7	Very high	54 Å²	54	52.8 Å²	52.8	28%	0.283	30%	0.304	S	S	.	.	H	α-helix	trans	-69.1	-37.5	174.5	-63	173.6	0	0	0	112.1	C80 S81 R82 A87 L88 G89 F501	C80-L85 HydrophobicContact CB-CD1 4.36Å; C80-L85 HydrophobicContact CB-CD2 3.9Å; C80-L85 HydrophobicContact CB-CG 4.03Å; S81-L85 PolarHBondContact O-N 3.37Å; S81-L85 VanDerWaalsContact O-N 3.11Å; R82-L85 CarbonylContact O-C 3.58Å; R82-L85 WeakPolarHBondContact O-CB 3.48Å; R82-L85 PolarHBondContact O-N 2.87Å; L85-A87 PolarHBondContact O-N 3.45Å; L85-L88 WeakPolarHBondContact O-CB 3.48Å; L85-L88 PolarHBondContact O-N 3.41Å; L85-L88 VanDerWaalsContact O-N 3.14Å; L85-G89 PolarHBondContact O-N 3.22Å; L85-F501 HydrophobicContact CB-CD2 4.38Å; L85-F501 HydrophobicContact CB-CE2 3.65Å; L85-F501 HydrophobicContact CB-CZ 4.34Å; L85-F501 HydrophobicContact CD1-CD2 4.28Å; L85-F501 HydrophobicContact CD1-CE2 4.37Å
86	E	98.9	Very high	98.7	Very high	92 Å²	92	59 Å²	59	43%	0.43	33%	0.328	S	S	.	.	H	α-helix	trans	-60.2	-43.6	173.6	-73.5	171.5	151.2	0	0	111.3	R82 L88 G89 F501	R82-E86 HydrophobicContact CG-CG 4.24Å; R82-E86 IonicContact CZ-OE1 3.51Å; R82-E86 IonicContact NE-OE1 4Å; R82-E86 PolarHBondContact NE-OE1 2.64Å; R82-E86 IonicContact NH2-OE1 3.41Å; R82-E86 PolarHBondContact NH2-OE1 3.23Å; R82-E86 WeakPolarHBondContact O-CG 3.21Å; R82-E86 PolarHBondContact O-N 2.82Å; E86-L88 VanDerWaalsContact C-N 3.3Å; E86-L88 PolarHBondContact O-N 3.4Å; E86-G89 PolarHBondContact O-N 2.86Å; E86-F501 HydrophobicContact CB-CZ 4.49Å; E86-F501 HydrophobicContact CG-CE1 3.71Å; E86-F501 HydrophobicContact CG-CZ 3.46Å; E86-F501 VanDerWaalsContact CG-CZ 3.46Å
87	A	98.9	Very high	98.8	Very high	18 Å²	18	57.4 Å²	57.4	15%	0.149	32%	0.316	C	S	.	.	H	α-helix	trans	-63.9	-35.1	174.7	0	0	0	0	0	112.6	A83 A84 L85 G89 S90 A333 A334 V337	A83-A87 PolarHBondContact O-N 2.96Å; A84-A87 PolarHBondContact O-N 3.31Å; L85-A87 PolarHBondContact O-N 3.45Å; A87-G89 VanDerWaalsContact C-N 3.34Å; A87-G89 PolarHBondContact O-N 3.42Å; A87-S90 VanDerWaalsContact O-CB 3.32Å; A87-S90 WeakPolarHBondContact O-CB 3.45Å; A87-S90 PolarHBondContact O-N 2.66Å; A87-S90 PolarHBondContact O-OG 2.91Å; A87-A333 HydrophobicContact CB-CB 4.29Å; A87-A334 HydrophobicContact CB-CB 4.21Å; A87-V337 HydrophobicContact CB-CG2 4.35Å
88	L	98.8	Very high	98.8	Very high	59 Å²	59	55.3 Å²	55.3	31%	0.309	31%	0.307	S	S	.	.	H	α-helix	trans	-67.4	-33.6	-178.9	-170.2	67.9	0	0	0	112.7	A84 L85 E86 A285 H330 A331 A334	A84-L88 PolarHBondContact O-N 2.92Å; A84-L88 VanDerWaalsContact O-N 3.16Å; L85-L88 WeakPolarHBondContact O-CB 3.48Å; L85-L88 PolarHBondContact O-N 3.41Å; L85-L88 VanDerWaalsContact O-N 3.14Å; E86-L88 VanDerWaalsContact C-N 3.3Å; E86-L88 PolarHBondContact O-N 3.4Å; L88-A285 HydrophobicContact CD1-CB 4.29Å; L88-A285 HydrophobicContact CD2-CB 4.37Å; L88-H330 WeakPolarHBondContact CD1-ND1 3.47Å; L88-H330 WeakPolarHBondContact O-CB 3.38Å; L88-H330 PolarHBondContact O-ND1 3.49Å; L88-A331 HydrophobicContact CD1-CB 4.08Å; L88-A334 HydrophobicContact CB-CB 4.24Å; L88-A334 HydrophobicContact CD1-CB 4.45Å
89	G	98.6	Very high	98.8	Very high	71 Å²	71	53.9 Å²	53.9	73%	0.732	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	21.8	176.8	0	0	0	0	0	114.6	L85 E86 A87	L85-G89 PolarHBondContact O-N 3.22Å; E86-G89 PolarHBondContact O-N 2.86Å; A87-G89 VanDerWaalsContact C-N 3.34Å; A87-G89 PolarHBondContact O-N 3.42Å
90	S	98.9	Very high	98.8	Very high	38 Å²	38	55.3 Å²	55.3	27%	0.266	31%	0.305	S	S	.	.	S	Bend	trans	-90.2	172.7	-176.6	70.7	0	0	0	0	113.7	A87 L92 N93	A87-S90 VanDerWaalsContact O-CB 3.32Å; A87-S90 WeakPolarHBondContact O-CB 3.45Å; A87-S90 PolarHBondContact O-N 2.66Å; A87-S90 PolarHBondContact O-OG 2.91Å; S90-L92 PolarHBondContact O-N 3.32Å; S90-L92 WeakPolarHBondContact OG-CG 3.3Å; S90-N93 PolarHBondContact O-N 2.77Å
91	C	98.8	Very high	98.8	Very high	95 Å²	95	55.5 Å²	55.5	64%	0.642	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-62.9	-10.7	177.4	66.2	0	0	0	0	114.5	N93 N94	C91-N93 PolarHBondContact O-N 2.91Å; C91-N93 VanDerWaalsContact O-N 3.14Å; C91-N94 VanDerWaalsContact O-CB 3.31Å; C91-N94 WeakPolarHBondContact O-CB 3.23Å; C91-N94 PolarHBondContact O-N 2.71Å
92	L	98.9	Very high	98.7	Very high	26 Å²	26	58 Å²	58	14%	0.136	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-60	-22.5	175.2	-64.6	175.2	0	0	0	112.7	S90 N94 K95 V112 I115 N329 H330 A333	S90-L92 PolarHBondContact O-N 3.32Å; S90-L92 WeakPolarHBondContact OG-CG 3.3Å; L92-N94 PolarHBondContact O-N 2.88Å; L92-K95 PolarHBondContact O-N 3.37Å; L92-V112 HydrophobicContact CD2-CG1 4.18Å; L92-I115 HydrophobicContact CD1-CD1 3.81Å; L92-I115 HydrophobicContact CD2-CD1 3.46Å; L92-I115 VanDerWaalsContact CD2-CD1 3.46Å; L92-I115 HydrophobicContact CG-CD1 4.29Å; L92-N329 HydrophobicContact CB-CB 4.12Å; L92-H330 HydrophobicContact CB-CB 3.92Å; L92-A333 HydrophobicContact CD1-CB 3.35Å
93	N	98.8	Very high	98.7	Very high	102 Å²	102	60.5 Å²	60.5	55%	0.545	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-57.7	-26.7	172	-173.3	79.2	0	0	0	112.7	S90 C91 H330	S90-N93 PolarHBondContact O-N 2.77Å; C91-N93 PolarHBondContact O-N 2.91Å; C91-N93 VanDerWaalsContact O-N 3.14Å; N93-H330 HydrophobicContact CB-CB 4.39Å; N93-H330 PolarHBondContact OD1-NE2 2.94Å
94	N	98.7	Very high	98.6	Very high	131 Å²	131	60.3 Å²	60.3	70%	0.701	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-83.3	-15.6	-174.9	-55.4	-22.4	0	0	0	113	C91 L92	C91-N94 VanDerWaalsContact O-CB 3.31Å; C91-N94 WeakPolarHBondContact O-CB 3.23Å; C91-N94 PolarHBondContact O-N 2.71Å; L92-N94 PolarHBondContact O-N 2.88Å
95	K	98.8	Very high	98.6	Very high	68 Å²	68	67.8 Å²	67.8	30%	0.296	37%	0.368	S	S	.	.			trans	-94.1	118.7	-172.6	-175.1	67.1	-157.7	-179.3	0	111.7	L92 G107 G108 V112 N329	L92-K95 PolarHBondContact O-N 3.37Å; K95-G107 PolarHBondContact NZ-O 2.83Å; K95-G108 WeakPolarHBondContact CE-O 3.32Å; K95-G108 PolarHBondContact NZ-O 3.08Å; K95-V112 HydrophobicContact CB-CG1 4.14Å; K95-V112 HydrophobicContact CG-CG1 3.81Å; K95-V112 HydrophobicContact CG-CG2 4.1Å; K95-N329 PolarHBondContact O-ND2 3.03Å
96	Y	98.4	Very high	98.6	Very high	131 Å²	131	70.8 Å²	70.8	51%	0.514	38%	0.377	S	S	.	.			trans	-89.5	124.7	171	-143.5	-92.9	0	0	0	110.6	E98 Y106 G326	Y96-E98 HydrophobicContact CD1-CG 4.09Å; Y96-E98 VanDerWaalsContact CE1-CD 3.45Å; Y96-E98 HydrophobicContact CE1-CG 3.57Å; Y96-Y106 HydrophobicContact CD1-CD2 4.01Å; Y96-Y106 AromaticContact CD1-CE2 3.53Å; Y96-Y106 HydrophobicContact CD1-CE2 3.53Å; Y96-Y106 AromaticContact CE1-CE2 3.94Å; Y96-Y106 HydrophobicContact CE1-CE2 3.94Å; Y96-G326 PolarHBondContact OH-N 2.97Å
97	S	98.6	Very high	98.5	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	39%	0.386	C	S	.	.			trans	-143.8	50.7	-170.1	63.9	0	0	0	0	113.7	R104 P327 N329	S97-R104 WeakPolarHBondContact O-CD 3.5Å; S97-R104 PolarHBondContact O-NH1 2.65Å; S97-P327 WeakPolarHBondContact O-CD 3.21Å; S97-N329 PolarHBondContact OG-ND2 3.09Å; S97-N329 PolarHBondContact OG-OD1 3.07Å
98	E	98.7	Very high	98.5	Very high	29 Å²	29	70.7 Å²	70.7	14%	0.136	40%	0.402	C	S	.	.			trans	-53.9	144.4	175	-76.4	-176.9	142.2	0	0	113.1	Y96 R104 Y105 Y106 F320 G325 G326	Y96-E98 HydrophobicContact CD1-CG 4.09Å; Y96-E98 VanDerWaalsContact CE1-CD 3.45Å; Y96-E98 HydrophobicContact CE1-CG 3.57Å; E98-R104 WeakPolarHBondContact O-CA 3.4Å; E98-R104 WeakPolarHBondContact O-CD 3.38Å; E98-Y105 PolarHBondContact O-N 2.97Å; E98-Y106 HydrophobicContact CB-CD2 4.35Å; E98-Y106 HydrophobicContact CB-CE2 4Å; E98-Y106 HydrophobicContact CG-CE2 4.24Å; E98-Y106 VanDerWaalsContact OE2-CE2 3.29Å; E98-Y106 WeakPolarHBondContact OE2-CE2 3.39Å; E98-Y106 PolarHBondContact OE2-OH 3.29Å; E98-F320 HydrophobicContact CB-CE1 4.46Å; E98-F320 HydrophobicContact CB-CE2 3.79Å; E98-F320 HydrophobicContact CB-CZ 3.69Å; E98-F320 HydrophobicContact CG-CD2 4.45Å; E98-F320 HydrophobicContact CG-CE2 3.68Å; E98-F320 HydrophobicContact CG-CZ 4.1Å; E98-G325 VanDerWaalsContact OE1-CA 3.27Å; E98-G325 WeakPolarHBondContact OE1-CA 3.45Å; E98-G326 PolarHBondContact OE1-N 3.41Å
99	G	98.5	Very high	98.5	Very high	2 Å²	2	68.2 Å²	68.2	2%	0.021	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.6	-156.7	-168	0	0	0	0	0	112.6	R104 Q139	G99-R104 PolarHBondContact O-NH1 2.88Å; G99-Q139 PolarHBondContact O-NE2 3.19Å; G99-Q139 VanDerWaalsContact O-NE2 3.09Å
100	Y	98.8	Very high	98.5	Very high	42 Å²	42	70.8 Å²	70.8	17%	0.165	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	164.6	-176.3	-70.2	-78.4	0	0	0	110.7	G102 K103 R104 N137 Q139 N316 F320	Y100-G102 PolarHBondContact O-N 2.99Å; Y100-K103 PolarHBondContact N-O 2.86Å; Y100-K103 CarbonylContact O-C 3.16Å; Y100-K103 WeakPolarHBondContact O-CA 3.43Å; Y100-K103 PolarHBondContact O-N 3.32Å; Y100-R104 WeakPolarHBondContact O-CD 3.49Å; Y100-R104 PolarHBondContact O-N 2.74Å; Y100-N137 WeakPolarHBondContact CE1-ND2 2.99Å; Y100-N137 PolarHBondContact OH-ND2 3.21Å; Y100-Q139 HydrophobicContact CE1-CG 4.4Å; Y100-N316 HydrophobicContact CE1-CB 4.45Å; Y100-N316 HydrophobicContact CE2-CB 3.91Å; Y100-N316 WeakPolarHBondContact OH-CA 3.31Å; Y100-N316 PolarHBondContact OH-O 3.28Å; Y100-F320 HydrophobicContact CE2-CB 4.47Å
101	P	98.8	Very high	98.5	Very high	27 Å²	27	72.6 Å²	72.6	18%	0.175	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	131	179.2	-29.7	36.4	0	0	0	113.3	K103 D113 E116 L117	P101-K103 PolarHBondContact O-N 3.43Å; P101-D113 WeakPolarHBondContact CA-OD2 3.36Å; P101-D113 HydrophobicContact CB-CB 4.09Å; P101-E116 HydrophobicContact CG-CB 3.95Å; P101-E116 HydrophobicContact CG-CG 4.12Å; P101-L117 HydrophobicContact CB-CD1 3.99Å; P101-L117 HydrophobicContact CB-CD2 3.96Å; P101-L117 HydrophobicContact CB-CG 3.77Å; P101-L117 HydrophobicContact CG-CD2 4.17Å; P101-L117 HydrophobicContact CG-CG 3.95Å
102	G	98.2	Very high	98.5	Very high	70 Å²	70	68.3 Å²	68.3	72%	0.722	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	-3.3	-175.5	0	0	0	0	0	115.9	Y100 D113	Y100-G102 PolarHBondContact O-N 2.99Å; G102-D113 PolarHBondContact N-OD2 3.3Å
103	K	98	Very high	98.5	Very high	173 Å²	173	68.2 Å²	68.2	75%	0.752	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.7	51.2	179.4	-63.1	-176.6	-178.6	177.5	0	110.8	Y100 P101	Y100-K103 PolarHBondContact N-O 2.86Å; Y100-K103 CarbonylContact O-C 3.16Å; Y100-K103 WeakPolarHBondContact O-CA 3.43Å; Y100-K103 PolarHBondContact O-N 3.32Å; P101-K103 PolarHBondContact O-N 3.43Å
104	R	98.3	Very high	98.5	Very high	39 Å²	39	69.7 Å²	69.7	15%	0.147	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	151.6	179	-61.4	-64	-171.4	-174.3	-2.2	111.7	S97 E98 G99 Y100 Y106 A109 D113 E116	S97-R104 WeakPolarHBondContact O-CD 3.5Å; S97-R104 PolarHBondContact O-NH1 2.65Å; E98-R104 WeakPolarHBondContact O-CA 3.4Å; E98-R104 WeakPolarHBondContact O-CD 3.38Å; G99-R104 PolarHBondContact O-NH1 2.88Å; Y100-R104 WeakPolarHBondContact O-CD 3.49Å; Y100-R104 PolarHBondContact O-N 2.74Å; R104-Y106 WeakPolarHBondContact CB-O 3.35Å; R104-A109 HydrophobicContact CB-CB 4.45Å; R104-A109 HydrophobicContact CG-CB 3.88Å; R104-D113 IonicContact CZ-OD1 3.2Å; R104-D113 IonicContact NE-OD1 2.72Å; R104-D113 PolarHBondContact NE-OD1 3.28Å; R104-D113 IonicContact NH2-OD1 2.8Å; R104-D113 PolarHBondContact NH2-OD1 3.09Å; R104-E116 IonicContact CZ-OE2 3.24Å; R104-E116 VanDerWaalsContact CZ-OE2 3.24Å; R104-E116 IonicContact NH1-OE2 2.91Å; R104-E116 PolarHBondContact NH1-OE2 2.96Å; R104-E116 IonicContact NH2-OE2 2.69Å; R104-E116 PolarHBondContact NH2-OE2 3.48Å
105	Y	98.1	Very high	98.5	Very high	157 Å²	157	64.9 Å²	64.9	62%	0.616	34%	0.34	S	S	*	.	S	Bend	trans	-80.8	-22.9	173.9	-78.6	-116.5	0	0	0	112.1	E98 F320	E98-Y105 PolarHBondContact O-N 2.97Å; Y105-F320 HydrophobicContact CD2-CE1 4.02Å; Y105-F320 HydrophobicContact CD2-CZ 4.26Å; Y105-F320 AromaticContact CE2-CE1 3.58Å; Y105-F320 HydrophobicContact CE2-CE1 3.58Å; Y105-F320 HydrophobicContact CE2-CZ 4.1Å
106	Y	97.7	Very high	98.5	Very high	117 Å²	117	61.6 Å²	61.6	46%	0.459	33%	0.326	S	S	.	.	S	Bend	trans	-122.4	148.3	-179.9	-52	-65.7	0	0	0	111.3	Y96 E98 R104	Y96-Y106 HydrophobicContact CD1-CD2 4.01Å; Y96-Y106 AromaticContact CD1-CE2 3.53Å; Y96-Y106 HydrophobicContact CD1-CE2 3.53Å; Y96-Y106 AromaticContact CE1-CE2 3.94Å; Y96-Y106 HydrophobicContact CE1-CE2 3.94Å; E98-Y106 HydrophobicContact CB-CD2 4.35Å; E98-Y106 HydrophobicContact CB-CE2 4Å; E98-Y106 HydrophobicContact CG-CE2 4.24Å; E98-Y106 VanDerWaalsContact OE2-CE2 3.29Å; E98-Y106 WeakPolarHBondContact OE2-CE2 3.39Å; E98-Y106 PolarHBondContact OE2-OH 3.29Å; R104-Y106 WeakPolarHBondContact CB-O 3.35Å
107	G	97.4	Very high	98.5	Very high	61 Å²	61	58.8 Å²	58.8	63%	0.629	32%	0.32	S	S	*	.	S	Bend	trans	-77	176.5	174.8	0	0	0	0	0	114.3	K95	K95-G107 PolarHBondContact NZ-O 2.83Å
108	G	98.2	Very high	98.5	Very high	47 Å²	47	61.4 Å²	61.4	49%	0.485	33%	0.333	S	S	.	.			trans	66.3	41.7	179.4	0	0	0	0	0	113	K95 E110	K95-G108 WeakPolarHBondContact CE-O 3.32Å; K95-G108 PolarHBondContact NZ-O 3.08Å; G108-E110 VanDerWaalsContact CA-OE2 3.27Å; G108-E110 WeakPolarHBondContact CA-OE2 3.44Å
109	A	98.6	Very high	98.5	Very high	7 Å²	7	60 Å²	60	6%	0.058	33%	0.327	C	S	.	.			trans	-114.5	7.9	-174	0	0	0	0	0	113.2	R104 V111 V112 D113	R104-A109 HydrophobicContact CB-CB 4.45Å; R104-A109 HydrophobicContact CG-CB 3.88Å; A109-V111 VanDerWaalsContact C-N 3.32Å; A109-V111 PolarHBondContact O-N 2.88Å; A109-V112 HydrophobicContact CB-CG2 3.74Å; A109-V112 WeakPolarHBondContact O-CG2 3.21Å; A109-V112 PolarHBondContact O-N 3.43Å; A109-D113 WeakPolarHBondContact O-CB 3.17Å; A109-D113 PolarHBondContact O-N 2.87Å
110	E	98.6	Very high	98.6	Very high	124 Å²	124	61.8 Å²	61.8	58%	0.579	34%	0.335	S	S	*	.	H	α-helix	trans	-54.3	-44.4	-174.6	64.8	-68	162.4	0	0	112.9	G108 E114	G108-E110 VanDerWaalsContact CA-OE2 3.27Å; G108-E110 WeakPolarHBondContact CA-OE2 3.44Å; E110-E114 WeakPolarHBondContact O-CG 3.41Å; E110-E114 PolarHBondContact O-N 3.05Å
111	V	98.8	Very high	98.6	Very high	77 Å²	77	66.7 Å²	66.7	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-74.4	-40.2	179.1	-177.8	0	0	0	0	112.2	A109 D113 E114 I115	A109-V111 VanDerWaalsContact C-N 3.32Å; A109-V111 PolarHBondContact O-N 2.88Å; V111-D113 VanDerWaalsContact C-N 3.27Å; V111-D113 PolarHBondContact O-N 3.2Å; V111-E114 WeakPolarHBondContact O-CB 3.27Å; V111-E114 PolarHBondContact O-N 3.18Å; V111-I115 HydrophobicContact CG1-CD1 3.95Å; V111-I115 HydrophobicContact CG1-CG1 4.49Å; V111-I115 VanDerWaalsContact O-CG1 3.3Å; V111-I115 WeakPolarHBondContact O-CG1 3.01Å; V111-I115 PolarHBondContact O-N 3.34Å
112	V	98.8	Very high	98.6	Very high	5 Å²	5	68.1 Å²	68.1	3%	0.03	36%	0.355	C	S	.	.	H	α-helix	trans	-70.8	-26.7	178.8	-68	0	0	0	0	112	L92 K95 A109 I115 E116 N329	L92-V112 HydrophobicContact CD2-CG1 4.18Å; K95-V112 HydrophobicContact CB-CG1 4.14Å; K95-V112 HydrophobicContact CG-CG1 3.81Å; K95-V112 HydrophobicContact CG-CG2 4.1Å; A109-V112 HydrophobicContact CB-CG2 3.74Å; A109-V112 WeakPolarHBondContact O-CG2 3.21Å; A109-V112 PolarHBondContact O-N 3.43Å; V112-I115 PolarHBondContact O-N 2.91Å; V112-E116 WeakPolarHBondContact O-CB 3.18Å; V112-E116 PolarHBondContact O-N 2.62Å; V112-N329 HydrophobicContact CG1-CB 4.12Å
113	D	98.9	Very high	98.6	Very high	24 Å²	24	64.8 Å²	64.8	13%	0.128	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-46.7	168.7	-78.5	10	0	0	0	111.2	P101 G102 R104 A109 V111 I115 E116 L117	P101-D113 WeakPolarHBondContact CA-OD2 3.36Å; P101-D113 HydrophobicContact CB-CB 4.09Å; G102-D113 PolarHBondContact N-OD2 3.3Å; R104-D113 IonicContact CZ-OD1 3.2Å; R104-D113 IonicContact NE-OD1 2.72Å; R104-D113 PolarHBondContact NE-OD1 3.28Å; R104-D113 IonicContact NH2-OD1 2.8Å; R104-D113 PolarHBondContact NH2-OD1 3.09Å; A109-D113 WeakPolarHBondContact O-CB 3.17Å; A109-D113 PolarHBondContact O-N 2.87Å; V111-D113 VanDerWaalsContact C-N 3.27Å; V111-D113 PolarHBondContact O-N 3.2Å; D113-I115 VanDerWaalsContact C-N 3.32Å; D113-I115 PolarHBondContact O-N 3.41Å; D113-E116 PolarHBondContact O-N 3.29Å; D113-L117 WeakPolarHBondContact O-CB 3.4Å; D113-L117 VanDerWaalsContact O-CG 3.23Å; D113-L117 WeakPolarHBondContact O-CG 3.48Å; D113-L117 PolarHBondContact O-N 3.43Å
114	E	98.9	Very high	98.7	Very high	132 Å²	132	57.4 Å²	57.4	62%	0.617	29%	0.289	S	S	*	.	H	α-helix	trans	-58.8	-42.8	174.2	-73	179.1	-152.2	0	0	112.3	E110 V111 L118	E110-E114 WeakPolarHBondContact O-CG 3.41Å; E110-E114 PolarHBondContact O-N 3.05Å; V111-E114 WeakPolarHBondContact O-CB 3.27Å; V111-E114 PolarHBondContact O-N 3.18Å; E114-L118 WeakPolarHBondContact O-CB 3.49Å; E114-L118 PolarHBondContact O-N 3Å
115	I	98.9	Very high	98.7	Very high	30 Å²	30	60.6 Å²	60.6	15%	0.154	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-48	178.4	-70.8	165.4	0	0	0	111	L92 V111 V112 D113 L118 C119 I332 A333	L92-I115 HydrophobicContact CD1-CD1 3.81Å; L92-I115 HydrophobicContact CD2-CD1 3.46Å; L92-I115 VanDerWaalsContact CD2-CD1 3.46Å; L92-I115 HydrophobicContact CG-CD1 4.29Å; V111-I115 HydrophobicContact CG1-CD1 3.95Å; V111-I115 HydrophobicContact CG1-CG1 4.49Å; V111-I115 VanDerWaalsContact O-CG1 3.3Å; V111-I115 WeakPolarHBondContact O-CG1 3.01Å; V111-I115 PolarHBondContact O-N 3.34Å; V112-I115 PolarHBondContact O-N 2.91Å; D113-I115 VanDerWaalsContact C-N 3.32Å; D113-I115 PolarHBondContact O-N 3.41Å; I115-L118 PolarHBondContact O-N 3.41Å; I115-C119 WeakPolarHBondContact O-CB 3.47Å; I115-C119 PolarHBondContact O-N 3.16Å; I115-I332 HydrophobicContact CG2-CG2 4.16Å; I115-A333 HydrophobicContact CG2-CB 4.07Å
116	E	98.9	Very high	98.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-44.5	-178.9	-167.3	177.8	158.8	0	0	111	P101 R104 V112 D113 L118 C119 Q120 V138 Q139	P101-E116 HydrophobicContact CG-CB 3.95Å; P101-E116 HydrophobicContact CG-CG 4.12Å; R104-E116 IonicContact CZ-OE2 3.24Å; R104-E116 VanDerWaalsContact CZ-OE2 3.24Å; R104-E116 IonicContact NH1-OE2 2.91Å; R104-E116 PolarHBondContact NH1-OE2 2.96Å; R104-E116 IonicContact NH2-OE2 2.69Å; R104-E116 PolarHBondContact NH2-OE2 3.48Å; V112-E116 WeakPolarHBondContact O-CB 3.18Å; V112-E116 PolarHBondContact O-N 2.62Å; D113-E116 PolarHBondContact O-N 3.29Å; E116-L118 VanDerWaalsContact C-N 3.33Å; E116-L118 PolarHBondContact O-N 3.16Å; E116-C119 WeakPolarHBondContact O-CB 3.4Å; E116-C119 PolarHBondContact O-N 3.48Å; E116-Q120 VanDerWaalsContact O-CG 3.27Å; E116-Q120 WeakPolarHBondContact O-CG 3.46Å; E116-Q120 PolarHBondContact O-N 3.43Å; E116-Q120 PolarHBondContact OE1-NE2 3.21Å; E116-V138 HydrophobicContact CG-CG2 3.59Å; E116-Q139 PolarHBondContact OE1-NE2 3.44Å; E116-Q139 PolarHBondContact OE2-NE2 3.13Å
117	L	98.9	Very high	98.8	Very high	72 Å²	72	48.3 Å²	48.3	38%	0.377	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-38.6	175	-70.6	169	0	0	0	111.9	P101 D113 Q120 R121	P101-L117 HydrophobicContact CB-CD1 3.99Å; P101-L117 HydrophobicContact CB-CD2 3.96Å; P101-L117 HydrophobicContact CB-CG 3.77Å; P101-L117 HydrophobicContact CG-CD2 4.17Å; P101-L117 HydrophobicContact CG-CG 3.95Å; D113-L117 WeakPolarHBondContact O-CB 3.4Å; D113-L117 VanDerWaalsContact O-CG 3.23Å; D113-L117 WeakPolarHBondContact O-CG 3.48Å; D113-L117 PolarHBondContact O-N 3.43Å; L117-Q120 PolarHBondContact O-N 2.98Å; L117-R121 VanDerWaalsContact C-NH1 3.35Å; L117-R121 WeakPolarHBondContact O-CG 3.44Å; L117-R121 PolarHBondContact O-N 3.02Å; L117-R121 PolarHBondContact O-NH1 3.42Å
118	L	98.9	Very high	98.8	Very high	55 Å²	55	50.8 Å²	50.8	29%	0.288	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-43.3	174.6	176.4	63.9	0	0	0	111.4	E114 I115 E116 R121 R122	E114-L118 WeakPolarHBondContact O-CB 3.49Å; E114-L118 PolarHBondContact O-N 3Å; I115-L118 PolarHBondContact O-N 3.41Å; E116-L118 VanDerWaalsContact C-N 3.33Å; E116-L118 PolarHBondContact O-N 3.16Å; L118-R121 PolarHBondContact O-N 3.48Å; L118-R122 HydrophobicContact CD1-CG 4.26Å; L118-R122 WeakPolarHBondContact O-CB 3.41Å; L118-R122 WeakPolarHBondContact O-CG 3.37Å; L118-R122 PolarHBondContact O-N 3.48Å
119	C	98.9	Very high	98.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-47.1	176.7	-168.1	0	0	0	0	111	I115 E116 R121 R122 A123 V138 I332 A336	I115-C119 WeakPolarHBondContact O-CB 3.47Å; I115-C119 PolarHBondContact O-N 3.16Å; E116-C119 WeakPolarHBondContact O-CB 3.4Å; E116-C119 PolarHBondContact O-N 3.48Å; C119-R121 PolarHBondContact O-N 3.32Å; C119-R122 PolarHBondContact O-N 2.95Å; C119-A123 WeakPolarHBondContact O-CB 3.41Å; C119-A123 PolarHBondContact O-N 3.37Å; C119-V138 HydrophobicContact CB-CG1 4.46Å; C119-V138 HydrophobicContact CB-CG2 4.42Å; C119-I332 HydrophobicContact CB-CG2 3.76Å; C119-I332 PolarHBondContact SG-O 3.33Å; C119-A336 HydrophobicContact CB-CB 3.84Å
120	Q	98.9	Very high	98.9	Very high	39 Å²	39	52.8 Å²	52.8	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-47.6	176.1	-69.5	167.6	3.2	0	0	111.8	E116 L117 R122 A123 L124 V136 V138	E116-Q120 VanDerWaalsContact O-CG 3.27Å; E116-Q120 WeakPolarHBondContact O-CG 3.46Å; E116-Q120 PolarHBondContact O-N 3.43Å; E116-Q120 PolarHBondContact OE1-NE2 3.21Å; L117-Q120 PolarHBondContact O-N 2.98Å; Q120-R122 PolarHBondContact O-N 2.83Å; Q120-A123 WeakPolarHBondContact O-CB 3.49Å; Q120-A123 PolarHBondContact O-N 3.06Å; Q120-L124 WeakPolarHBondContact O-CG 3.46Å; Q120-L124 PolarHBondContact O-N 3.21Å; Q120-L124 VanDerWaalsContact O-N 3.08Å; Q120-V136 HydrophobicContact CB-CG1 3.85Å; Q120-V136 HydrophobicContact CG-CG1 4.05Å; Q120-V138 HydrophobicContact CB-CG1 4.49Å; Q120-V138 HydrophobicContact CG-CG1 3.74Å; Q120-V138 HydrophobicContact CG-CG2 4.09Å
121	R	98.9	Very high	98.9	Very high	145 Å²	145	50.9 Å²	50.9	55%	0.547	26%	0.255	S	S	.	.	H	α-helix	trans	-59.3	-47.9	176.9	-73.7	-167.2	-50.8	-82.3	6.4	112.1	L117 L118 C119 A123 L124 E125	L117-R121 VanDerWaalsContact C-NH1 3.35Å; L117-R121 WeakPolarHBondContact O-CG 3.44Å; L117-R121 PolarHBondContact O-N 3.02Å; L117-R121 PolarHBondContact O-NH1 3.42Å; L118-R121 PolarHBondContact O-N 3.48Å; C119-R121 PolarHBondContact O-N 3.32Å; R121-A123 VanDerWaalsContact C-N 3.27Å; R121-A123 PolarHBondContact O-N 2.99Å; R121-L124 PolarHBondContact O-N 3.24Å; R121-E125 WeakPolarHBondContact O-CB 3.32Å; R121-E125 PolarHBondContact O-N 2.75Å
122	R	98.9	Very high	98.9	Very high	57 Å²	57	50.3 Å²	50.3	22%	0.215	26%	0.258	C	S	.	.	H	α-helix	trans	-65.4	-31.1	178.8	-73.2	-179	176.1	173.9	4.9	112.5	L118 C119 Q120 A126 A336 L339	L118-R122 HydrophobicContact CD1-CG 4.26Å; L118-R122 WeakPolarHBondContact O-CB 3.41Å; L118-R122 WeakPolarHBondContact O-CG 3.37Å; L118-R122 PolarHBondContact O-N 3.48Å; C119-R122 PolarHBondContact O-N 2.95Å; Q120-R122 PolarHBondContact O-N 2.83Å; R122-A126 VanDerWaalsContact O-CB 3.24Å; R122-A126 WeakPolarHBondContact O-CB 3.25Å; R122-A126 PolarHBondContact O-N 2.84Å; R122-A336 VanDerWaalsContact CD-O 3.23Å; R122-A336 WeakPolarHBondContact CD-O 3.37Å; R122-A336 PolarHBondContact NH1-O 3.16Å; R122-L339 HydrophobicContact CB-CB 3.89Å; R122-L339 HydrophobicContact CB-CD1 4.38Å
123	A	98.9	Very high	98.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-47.2	175.2	0	0	0	0	0	110.6	C119 Q120 R121 A126 F127 V136 L289 F291 L339	C119-A123 WeakPolarHBondContact O-CB 3.41Å; C119-A123 PolarHBondContact O-N 3.37Å; Q120-A123 WeakPolarHBondContact O-CB 3.49Å; Q120-A123 PolarHBondContact O-N 3.06Å; R121-A123 VanDerWaalsContact C-N 3.27Å; R121-A123 PolarHBondContact O-N 2.99Å; A123-A126 PolarHBondContact O-N 2.72Å; A123-F127 VanDerWaalsContact O-CD2 3.25Å; A123-F127 WeakPolarHBondContact O-CD2 3.41Å; A123-F127 PolarHBondContact O-N 2.84Å; A123-V136 HydrophobicContact CB-CG1 4.07Å; A123-V136 HydrophobicContact CB-CG2 4.21Å; A123-L289 HydrophobicContact CB-CD1 4.45Å; A123-F291 HydrophobicContact CB-CE1 3.96Å; A123-F291 HydrophobicContact CB-CZ 3.96Å; A123-L339 HydrophobicContact CB-CD1 3.74Å; A123-L339 HydrophobicContact CB-CD2 4.47Å
124	L	98.9	Very high	98.8	Very high	17 Å²	17	53.5 Å²	53.5	9%	0.089	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-41.3	175.2	-60.8	178.5	0	0	0	111.8	Q120 R121 F127 D128 L129 P131 W134 V136 F291	Q120-L124 WeakPolarHBondContact O-CG 3.46Å; Q120-L124 PolarHBondContact O-N 3.21Å; Q120-L124 VanDerWaalsContact O-N 3.08Å; R121-L124 PolarHBondContact O-N 3.24Å; L124-F127 PolarHBondContact O-N 2.76Å; L124-D128 PolarHBondContact O-N 3.3Å; L124-D128 VanDerWaalsContact O-N 3.09Å; L124-L129 HydrophobicContact CB-CB 4.34Å; L124-L129 HydrophobicContact CD2-CB 4.13Å; L124-L129 HydrophobicContact CD2-CD1 4Å; L124-L129 PolarHBondContact O-N 2.98Å; L124-P131 HydrophobicContact CD1-CB 3.95Å; L124-P131 HydrophobicContact CD1-CG 4.07Å; L124-W134 HydrophobicContact CD2-CB 4.05Å; L124-V136 HydrophobicContact CD2-CB 4.2Å; L124-V136 HydrophobicContact CD2-CG1 4.09Å; L124-V136 HydrophobicContact CG-CG1 4.09Å; L124-F291 HydrophobicContact CD2-CD1 4.15Å; L124-F291 HydrophobicContact CD2-CE1 4.29Å
125	E	98.9	Very high	98.8	Very high	106 Å²	106	47.5 Å²	47.5	50%	0.495	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-47.7	176.5	-173.2	-171.5	158.4	0	0	112.3	R121 F127 D128	R121-E125 WeakPolarHBondContact O-CB 3.32Å; R121-E125 PolarHBondContact O-N 2.75Å; E125-F127 PolarHBondContact O-N 3.15Å; E125-D128 PolarHBondContact O-N 2.9Å
126	A	98.8	Very high	98.8	Very high	6 Å²	6	46.4 Å²	46.4	5%	0.05	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-27.4	-177.2	0	0	0	0	0	113.4	R122 A123 A260 L339 C343	R122-A126 VanDerWaalsContact O-CB 3.24Å; R122-A126 WeakPolarHBondContact O-CB 3.25Å; R122-A126 PolarHBondContact O-N 2.84Å; A123-A126 PolarHBondContact O-N 2.72Å; A126-A260 WeakPolarHBondContact O-CA 3.31Å; A126-L339 HydrophobicContact CB-CD2 3.99Å; A126-C343 VanDerWaalsContact CA-SG 3.51Å
127	F	98.9	Very high	98.8	Very high	11 Å²	11	46.4 Å²	46.4	5%	0.048	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	7.3	177.4	-65.3	-72.4	0	0	0	113.3	A123 L124 E125 L129 M252 S256 V259 A260 F268 L282 F291 L339	A123-F127 VanDerWaalsContact O-CD2 3.25Å; A123-F127 WeakPolarHBondContact O-CD2 3.41Å; A123-F127 PolarHBondContact O-N 2.84Å; L124-F127 PolarHBondContact O-N 2.76Å; E125-F127 PolarHBondContact O-N 3.15Å; F127-L129 HydrophobicContact CB-CD1 3.88Å; F127-L129 HydrophobicContact CB-CD2 4.31Å; F127-L129 HydrophobicContact CB-CG 3.79Å; F127-L129 WeakPolarHBondContact O-CD2 3.37Å; F127-M252 HydrophobicContact CD1-CE 4.03Å; F127-M252 HydrophobicContact CD2-CE 4.44Å; F127-M252 HydrophobicContact CE1-CE 3.44Å; F127-M252 VanDerWaalsContact CE1-CE 3.44Å; F127-M252 HydrophobicContact CE1-SD 4.05Å; F127-M252 HydrophobicContact CE2-CE 3.96Å; F127-M252 HydrophobicContact CZ-CE 3.43Å; F127-M252 VanDerWaalsContact CZ-CE 3.43Å; F127-S256 WeakPolarHBondContact CE1-O 3.32Å; F127-V259 HydrophobicContact CD1-CB 4.48Å; F127-V259 HydrophobicContact CD1-CG1 3.9Å; F127-V259 HydrophobicContact CE1-CB 4.26Å; F127-V259 HydrophobicContact CE1-CG1 4.15Å; F127-A260 HydrophobicContact CD1-CB 4.14Å; F127-A260 HydrophobicContact CE1-CB 3.75Å; F127-A260 HydrophobicContact CZ-CB 4.18Å; F127-F268 HydrophobicContact CB-CD2 4.37Å; F127-F268 HydrophobicContact CB-CE2 3.82Å; F127-F268 HydrophobicContact CB-CZ 4.07Å; F127-F268 AromaticContact CD1-CE2 3.65Å; F127-F268 HydrophobicContact CD1-CE2 3.65Å; F127-F268 HydrophobicContact CD1-CZ 4.29Å; F127-F268 HydrophobicContact CD2-CZ 4.38Å; F127-F268 HydrophobicContact CE1-CE2 4.37Å; F127-F268 AromaticContact CG-CE2 3.74Å; F127-F268 HydrophobicContact CG-CE2 3.74Å; F127-F268 AromaticContact CG-CZ 3.99Å; F127-F268 HydrophobicContact CG-CZ 3.99Å; F127-L282 HydrophobicContact CZ-CD1 4.33Å; F127-F291 AromaticContact CD2-CE1 3.92Å; F127-F291 HydrophobicContact CD2-CE1 3.92Å; F127-F291 HydrophobicContact CD2-CE2 4.11Å; F127-F291 AromaticContact CD2-CZ 3.41Å; F127-F291 HydrophobicContact CD2-CZ 3.41Å; F127-F291 VanDerWaalsContact CD2-CZ 3.41Å; F127-F291 HydrophobicContact CE2-CE2 4.02Å; F127-F291 AromaticContact CE2-CZ 3.59Å; F127-F291 HydrophobicContact CE2-CZ 3.59Å; F127-F291 HydrophobicContact CG-CZ 4.48Å; F127-L339 HydrophobicContact CE2-CD2 4.46Å
128	D	98.8	Very high	98.8	Very high	113 Å²	113	43 Å²	43	60%	0.604	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	52.7	178.6	-170	32.4	0	0	0	112.8	L124 E125 K262	L124-D128 PolarHBondContact O-N 3.3Å; L124-D128 VanDerWaalsContact O-N 3.09Å; E125-D128 PolarHBondContact O-N 2.9Å; D128-K262 VanDerWaalsContact CG-NZ 3.26Å; D128-K262 IonicContact OD2-NZ 2.96Å; D128-K262 PolarHBondContact OD2-NZ 3.06Å
129	L	98.9	Very high	98.8	Very high	19 Å²	19	40.6 Å²	40.6	10%	0.099	21%	0.209	C	C	.	.			trans	-107.6	129.9	-175.1	-54	178.7	0	0	0	110.8	L124 F127 P131 W134 F268 F291	L124-L129 HydrophobicContact CB-CB 4.34Å; L124-L129 HydrophobicContact CD2-CB 4.13Å; L124-L129 HydrophobicContact CD2-CD1 4Å; L124-L129 PolarHBondContact O-N 2.98Å; F127-L129 HydrophobicContact CB-CD1 3.88Å; F127-L129 HydrophobicContact CB-CD2 4.31Å; F127-L129 HydrophobicContact CB-CG 3.79Å; F127-L129 WeakPolarHBondContact O-CD2 3.37Å; L129-P131 VanDerWaalsContact O-CD 3.29Å; L129-P131 WeakPolarHBondContact O-CD 3.38Å; L129-W134 HydrophobicContact CB-CB 3.96Å; L129-W134 HydrophobicContact CB-CG 4.11Å; L129-W134 HydrophobicContact CD1-CB 4.14Å; L129-W134 HydrophobicContact CD1-CD2 4.33Å; L129-W134 HydrophobicContact CD1-CG 4.09Å; L129-W134 HydrophobicContact CD2-CG 4.33Å; L129-W134 HydrophobicContact CG-CG 4.4Å; L129-F268 HydrophobicContact CD1-CD1 3.63Å; L129-F268 HydrophobicContact CD1-CE1 3.39Å; L129-F268 HydrophobicContact CD1-CG 4.34Å; L129-F268 HydrophobicContact CD1-CZ 3.92Å; L129-F268 HydrophobicContact CD2-CB 3.77Å; L129-F268 HydrophobicContact CD2-CD1 3.61Å; L129-F268 HydrophobicContact CD2-CD2 4.25Å; L129-F268 HydrophobicContact CD2-CE1 4.21Å; L129-F268 HydrophobicContact CD2-CG 3.63Å; L129-F268 HydrophobicContact CG-CD1 4.27Å; L129-F268 HydrophobicContact CG-CE1 4.41Å; L129-F291 HydrophobicContact CD1-CD1 3.68Å; L129-F291 HydrophobicContact CD1-CE1 4Å
130	D	98.7	Very high	98.8	Very high	77 Å²	77	40.6 Å²	40.6	41%	0.412	21%	0.21	S	C	.	.			trans	-65.4	118.3	169.5	178.9	-0.9	0	0	0	110.2	A132 Q133 W134	D130-A132 PolarHBondContact O-N 2.82Å; D130-A132 VanDerWaalsContact O-N 3.14Å; D130-A132 WeakPolarHBondContact OD1-CB 3.31Å; D130-A132 PolarHBondContact OD1-N 2.78Å; D130-Q133 HydrophobicContact CB-CB 4.26Å; D130-Q133 HydrophobicContact CB-CG 4.21Å; D130-Q133 PolarHBondContact O-N 3.5Å; D130-Q133 PolarHBondContact OD2-NE2 2.97Å; D130-W134 PolarHBondContact O-N 3.47Å
131	P	98.6	Very high	98.8	Very high	84 Å²	84	42.3 Å²	42.3	55%	0.545	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.5	178.1	-22.2	34.3	0	0	0	114.5	L124 L129 Q133 W134 K294	L124-P131 HydrophobicContact CD1-CB 3.95Å; L124-P131 HydrophobicContact CD1-CG 4.07Å; L129-P131 VanDerWaalsContact O-CD 3.29Å; L129-P131 WeakPolarHBondContact O-CD 3.38Å; P131-Q133 VanDerWaalsContact C-N 3.3Å; P131-W134 WeakPolarHBondContact CA-O 3.48Å; P131-K294 WeakPolarHBondContact O-CD 3.24Å
132	A	98.3	Very high	98.8	Very high	65 Å²	65	37.2 Å²	37.2	54%	0.537	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-20.9	172.1	0	0	0	0	0	112.6	D130 K294	D130-A132 PolarHBondContact O-N 2.82Å; D130-A132 VanDerWaalsContact O-N 3.14Å; D130-A132 WeakPolarHBondContact OD1-CB 3.31Å; D130-A132 PolarHBondContact OD1-N 2.78Å; A132-K294 WeakPolarHBondContact O-CG 3.34Å
133	Q	98.6	Very high	98.8	Very high	87 Å²	87	35 Å²	35	41%	0.407	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-20.8	-177.9	-62.9	-174.6	29.4	0	0	113.5	D130 P131 R293 K294	D130-Q133 HydrophobicContact CB-CB 4.26Å; D130-Q133 HydrophobicContact CB-CG 4.21Å; D130-Q133 PolarHBondContact O-N 3.5Å; D130-Q133 PolarHBondContact OD2-NE2 2.97Å; P131-Q133 VanDerWaalsContact C-N 3.3Å; Q133-R293 CarbonylContact O-C 3.47Å; Q133-R293 WeakPolarHBondContact O-CA 3.3Å; Q133-R293 WeakPolarHBondContact O-CD 3.42Å; Q133-K294 VanDerWaalsContact C-CG 3.47Å; Q133-K294 PolarHBondContact O-N 3.24Å
134	W	98.9	Very high	98.8	Very high	8 Å²	8	37.7 Å²	37.7	3%	0.03	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.3	-177.8	-74	93.9	0	0	0	111.8	L124 L129 D130 P131 F268 A271 V274 F291 Y292 R293	L124-W134 HydrophobicContact CD2-CB 4.05Å; L129-W134 HydrophobicContact CB-CB 3.96Å; L129-W134 HydrophobicContact CB-CG 4.11Å; L129-W134 HydrophobicContact CD1-CB 4.14Å; L129-W134 HydrophobicContact CD1-CD2 4.33Å; L129-W134 HydrophobicContact CD1-CG 4.09Å; L129-W134 HydrophobicContact CD2-CG 4.33Å; L129-W134 HydrophobicContact CG-CG 4.4Å; D130-W134 PolarHBondContact O-N 3.47Å; P131-W134 WeakPolarHBondContact CA-O 3.48Å; W134-F268 HydrophobicContact CD2-CD1 4.09Å; W134-F268 AromaticContact CE2-CD1 3.93Å; W134-F268 HydrophobicContact CE3-CD1 4.03Å; W134-F268 HydrophobicContact CE3-CE1 4.24Å; W134-F268 AromaticContact CH2-CD1 3.73Å; W134-F268 HydrophobicContact CH2-CD1 3.73Å; W134-F268 HydrophobicContact CH2-CE1 4.43Å; W134-F268 HydrophobicContact CZ2-CB 4.11Å; W134-F268 AromaticContact CZ2-CD1 3.76Å; W134-F268 HydrophobicContact CZ2-CD1 3.76Å; W134-F268 HydrophobicContact CZ2-CG 4.45Å; W134-F268 WeakPolarHBondContact CZ2-O 3.41Å; W134-F268 AromaticContact CZ3-CD1 3.86Å; W134-F268 HydrophobicContact CZ3-CD1 3.86Å; W134-F268 HydrophobicContact CZ3-CE1 4.14Å; W134-A271 WeakPolarHBondContact CH2-O 3.42Å; W134-V274 HydrophobicContact CH2-CG2 4.09Å; W134-V274 HydrophobicContact CZ3-CG2 4.29Å; W134-F291 HydrophobicContact CE3-CB 3.95Å; W134-F291 HydrophobicContact CZ3-CB 4.03Å; W134-Y292 WeakPolarHBondContact CA-O 3.35Å; W134-R293 HydrophobicContact CD2-CG 4.49Å; W134-R293 HydrophobicContact CH2-CG 3.84Å; W134-R293 HydrophobicContact CZ2-CG 3.73Å; W134-R293 VanDerWaalsContact CZ2-NE 3.26Å; W134-R293 HydrophobicContact CZ3-CG 4.27Å
135	G	98.8	Very high	98.8	Very high	7 Å²	7	39 Å²	39	7%	0.072	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	169.7	162.3	0	0	0	0	0	110.8	F291 Y292	G135-F291 WeakPolarHBondContact O-CA 3.29Å; G135-Y292 VanDerWaalsContact CA-CE2 3.5Å; G135-Y292 PolarHBondContact N-O 3.23Å; G135-Y292 PolarHBondContact O-N 2.75Å
136	V	98.9	Very high	98.8	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	136.1	178.3	63.2	0	0	0	0	110.9	Q120 A123 L124 V138 L289 I290 F291	Q120-V136 HydrophobicContact CB-CG1 3.85Å; Q120-V136 HydrophobicContact CG-CG1 4.05Å; A123-V136 HydrophobicContact CB-CG1 4.07Å; A123-V136 HydrophobicContact CB-CG2 4.21Å; L124-V136 HydrophobicContact CD2-CB 4.2Å; L124-V136 HydrophobicContact CD2-CG1 4.09Å; L124-V136 HydrophobicContact CG-CG1 4.09Å; V136-V138 HydrophobicContact CG1-CG1 4.32Å; V136-V138 HydrophobicContact CG2-CG1 4.19Å; V136-L289 HydrophobicContact CG2-CB 4.43Å; V136-I290 CarbonylContact C-O 3.52Å; V136-I290 WeakPolarHBondContact CA-O 3.47Å; V136-F291 HydrophobicContact CB-CD1 3.7Å; V136-F291 HydrophobicContact CB-CE1 3.88Å; V136-F291 HydrophobicContact CB-CG 4.34Å; V136-F291 HydrophobicContact CG2-CD1 3.64Å; V136-F291 HydrophobicContact CG2-CD2 4.28Å; V136-F291 HydrophobicContact CG2-CE1 3.58Å; V136-F291 HydrophobicContact CG2-CE2 4.22Å; V136-F291 HydrophobicContact CG2-CG 3.99Å; V136-F291 HydrophobicContact CG2-CZ 3.87Å
137	N	98.9	Very high	98.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.3	166.1	-166.8	-52.2	0	0	0	109.1	Y100 Q139 P140 L289 I290 Y292 N316	Y100-N137 WeakPolarHBondContact CE1-ND2 2.99Å; Y100-N137 PolarHBondContact OH-ND2 3.21Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.44Å; N137-Q139 PolarHBondContact OD1-N 3.27Å; N137-P140 WeakPolarHBondContact OD1-CD 3.31Å; N137-L289 WeakPolarHBondContact O-CA 3.5Å; N137-I290 HydrophobicContact CB-CB 4.39Å; N137-I290 PolarHBondContact N-O 3.39Å; N137-I290 PolarHBondContact O-N 2.77Å; N137-Y292 HydrophobicContact CB-CE1 4.28Å; N137-N316 PolarHBondContact ND2-OD1 2.85Å
138	V	98.9	Very high	98.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	21%	0.208	C	C	.	.			trans	-108	4	-174.7	-55.7	0	0	0	0	113.3	E116 C119 Q120 V136 P140 L289 I332	E116-V138 HydrophobicContact CG-CG2 3.59Å; C119-V138 HydrophobicContact CB-CG1 4.46Å; C119-V138 HydrophobicContact CB-CG2 4.42Å; Q120-V138 HydrophobicContact CB-CG1 4.49Å; Q120-V138 HydrophobicContact CG-CG1 3.74Å; Q120-V138 HydrophobicContact CG-CG2 4.09Å; V136-V138 HydrophobicContact CG1-CG1 4.32Å; V136-V138 HydrophobicContact CG2-CG1 4.19Å; V138-P140 VanDerWaalsContact C-CD 3.46Å; V138-L289 HydrophobicContact CB-CD2 3.88Å; V138-L289 HydrophobicContact CG1-CD2 3.82Å; V138-I332 HydrophobicContact CG2-CG1 4.49Å; V138-I332 HydrophobicContact CG2-CG2 4.13Å
139	Q	98.9	Very high	98.8	Very high	3 Å²	3	30.1 Å²	30.1	1%	0.014	18%	0.181	C	C	.	.			trans	-88.6	-14.5	-175.7	-57.5	-172.6	5	0	0	116.6	G99 Y100 E116 N137 Y141 V319 Q324 P327 I332	G99-Q139 PolarHBondContact O-NE2 3.19Å; G99-Q139 VanDerWaalsContact O-NE2 3.09Å; Y100-Q139 HydrophobicContact CE1-CG 4.4Å; E116-Q139 PolarHBondContact OE1-NE2 3.44Å; E116-Q139 PolarHBondContact OE2-NE2 3.13Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.44Å; N137-Q139 PolarHBondContact OD1-N 3.27Å; Q139-Y141 PolarHBondContact O-N 3.32Å; Q139-V319 HydrophobicContact CB-CG1 4.02Å; Q139-Q324 PolarHBondContact O-NE2 3.45Å; Q139-P327 HydrophobicContact CG-CB 4.21Å; Q139-P327 HydrophobicContact CG-CG 4.29Å; Q139-I332 HydrophobicContact CG-CD1 4.36Å
140	P	98.9	Very high	98.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	18%	0.176	C	C	.	.			trans	-55.9	130.8	178.7	-25.5	31.9	0	0	0	112.8	N137 V138 S142 A146 S287 G288 I290 V319	N137-P140 WeakPolarHBondContact OD1-CD 3.31Å; V138-P140 VanDerWaalsContact C-CD 3.46Å; P140-S142 PolarHBondContact O-N 2.91Å; P140-A146 HydrophobicContact CB-CB 3.69Å; P140-A146 HydrophobicContact CG-CB 3.98Å; P140-S287 PolarHBondContact O-OG 2.76Å; P140-S287 VanDerWaalsContact O-OG 3.11Å; P140-G288 WeakPolarHBondContact CD-O 3.49Å; P140-G288 PolarHBondContact O-N 3.05Å; P140-I290 HydrophobicContact CG-CD1 3.67Å; P140-I290 HydrophobicContact CG-CG1 3.84Å; P140-V319 HydrophobicContact CG-CG2 4.43Å
141	Y	98.9	Very high	98.8	Very high	74 Å²	74	25.6 Å²	25.6	29%	0.29	16%	0.156	S	C	.	.	S	Bend	trans	-66.3	-23.2	-175.9	-58.8	-39.3	0	0	0	113.5	Q139 S287 Q324 G326 H328	Q139-Y141 PolarHBondContact O-N 3.32Å; Y141-S287 WeakPolarHBondContact O-CA 3.47Å; Y141-Q324 HydrophobicContact CD2-CG 4.01Å; Y141-Q324 VanDerWaalsContact CD2-OE1 3.28Å; Y141-Q324 HydrophobicContact CE2-CB 3.82Å; Y141-Q324 HydrophobicContact CE2-CG 3.65Å; Y141-G326 PolarHBondContact OH-O 2.84Å; Y141-H328 AromaticContact CD1-CD2 3.89Å; Y141-H328 AromaticContact CD1-CE1 3.9Å; Y141-H328 AromaticContact CD1-CG 3.87Å; Y141-H328 AromaticContact CD1-ND1 3.89Å; Y141-H328 AromaticContact CD1-NE2 3.9Å; Y141-H328 AromaticContact CE1-CD2 3.45Å; Y141-H328 VanDerWaalsContact CE1-CD2 3.45Å; Y141-H328 WeakPolarHBondContact CE1-CD2 3.46Å; Y141-H328 AromaticContact CE1-CG 3.88Å; Y141-H328 AromaticContact CE1-NE2 3.58Å; Y141-H328 AromaticContact CZ-NE2 3.97Å
142	S	98.8	Very high	98.9	Very high	39 Å²	39	24.2 Å²	24.2	27%	0.273	15%	0.147	S	C	.	.	S	Bend	trans	-164.7	-175.3	175.2	-166.1	0	0	0	0	110.4	P140 P145 A146	P140-S142 PolarHBondContact O-N 2.91Å; S142-P145 WeakPolarHBondContact O-CD 3.29Å; S142-A146 WeakPolarHBondContact O-CB 3.43Å; S142-A146 PolarHBondContact O-N 3.12Å; S142-A146 VanDerWaalsContact O-N 3.1Å
143	G	98.6	Very high	98.9	Very high	10 Å²	10	21.8 Å²	21.8	10%	0.103	13%	0.126	C	C	.	.	H	α-helix	trans	-66.2	-40.9	178.6	0	0	0	0	0	114	A146 N147	G143-A146 WeakPolarHBondContact O-CB 3.3Å; G143-A146 PolarHBondContact O-N 3.44Å; G143-N147 PolarHBondContact O-N 3.48Å
144	S	98.9	Very high	98.9	Very high	56 Å²	56	18.1 Å²	18.1	39%	0.392	11%	0.109	S	C	.	.	H	α-helix	trans	-64.9	-46.7	178.6	-46.8	0	0	0	0	112.8	A146 N147 L148 T173	S144-A146 VanDerWaalsContact C-N 3.31Å; S144-A146 PolarHBondContact O-N 2.99Å; S144-N147 PolarHBondContact O-N 3.49Å; S144-L148 PolarHBondContact O-N 2.74Å; S144-T173 VanDerWaalsContact CB-CG2 3.48Å; S144-T173 WeakPolarHBondContact OG-CG2 3.01Å
145	P	98.9	Very high	98.9	Very high	44 Å²	44	18 Å²	18	29%	0.286	11%	0.109	S	C	.	.	H	α-helix	trans	-56.8	-40	168.9	-26.8	35.3	0	0	0	113.6	S142 N147 L148 A149	S142-P145 WeakPolarHBondContact O-CD 3.29Å; P145-N147 PolarHBondContact O-N 3.16Å; P145-L148 PolarHBondContact O-N 3.03Å; P145-A149 WeakPolarHBondContact O-CB 3.13Å; P145-A149 PolarHBondContact O-N 2.9Å
146	A	98.9	Very high	98.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-47.5	178.4	0	0	0	0	0	111.8	P140 S142 G143 S144 A149 V150 T275 I290	P140-A146 HydrophobicContact CB-CB 3.69Å; P140-A146 HydrophobicContact CG-CB 3.98Å; S142-A146 WeakPolarHBondContact O-CB 3.43Å; S142-A146 PolarHBondContact O-N 3.12Å; S142-A146 VanDerWaalsContact O-N 3.1Å; G143-A146 WeakPolarHBondContact O-CB 3.3Å; G143-A146 PolarHBondContact O-N 3.44Å; S144-A146 VanDerWaalsContact C-N 3.31Å; S144-A146 PolarHBondContact O-N 2.99Å; A146-A149 PolarHBondContact O-N 3Å; A146-V150 WeakPolarHBondContact O-CG2 3.23Å; A146-V150 PolarHBondContact O-N 2.82Å; A146-V150 VanDerWaalsContact O-N 3.16Å; A146-T275 HydrophobicContact CB-CG2 4.44Å; A146-I290 HydrophobicContact CB-CD1 4.33Å; A146-I290 HydrophobicContact CB-CG1 3.84Å
147	N	98.9	Very high	98.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-45.6	176	-79.6	-22.4	0	0	0	112	G143 S144 P145 A149 V150 Y151 T173 D251 T275	G143-N147 PolarHBondContact O-N 3.48Å; S144-N147 PolarHBondContact O-N 3.49Å; P145-N147 PolarHBondContact O-N 3.16Å; N147-A149 VanDerWaalsContact C-N 3.33Å; N147-A149 PolarHBondContact O-N 2.98Å; N147-V150 WeakPolarHBondContact O-CB 3.41Å; N147-V150 PolarHBondContact O-N 3.47Å; N147-Y151 HydrophobicContact CB-CE2 4.01Å; N147-Y151 WeakPolarHBondContact O-CD1 3.39Å; N147-Y151 VanDerWaalsContact O-CD2 3.25Å; N147-Y151 WeakPolarHBondContact O-CD2 3.31Å; N147-Y151 WeakPolarHBondContact O-CE2 3.46Å; N147-Y151 PolarHBondContact O-N 3Å; N147-Y151 VanDerWaalsContact O-N 3.09Å; N147-T173 PolarHBondContact ND2-OG1 2.98Å; N147-D251 PolarHBondContact ND2-OD2 3.4Å; N147-T275 VanDerWaalsContact OD1-CB 3.3Å; N147-T275 WeakPolarHBondContact OD1-CB 3.35Å; N147-T275 WeakPolarHBondContact OD1-CG2 3.32Å; N147-T275 PolarHBondContact OD1-OG1 3.47Å
148	L	98.9	Very high	98.9	Very high	46 Å²	46	33.5 Å²	33.5	24%	0.241	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-40.6	179	-175	61.4	0	0	0	112.1	S144 P145 V150 Y151 T152 F190 L323	S144-L148 PolarHBondContact O-N 2.74Å; P145-L148 PolarHBondContact O-N 3.03Å; L148-V150 VanDerWaalsContact C-N 3.32Å; L148-V150 PolarHBondContact O-N 2.87Å; L148-Y151 HydrophobicContact CD1-CD2 4.41Å; L148-Y151 PolarHBondContact O-N 3.36Å; L148-T152 WeakPolarHBondContact O-CB 3.42Å; L148-T152 PolarHBondContact O-N 2.85Å; L148-T152 PolarHBondContact O-OG1 3.45Å; L148-T152 VanDerWaalsContact O-OG1 3.09Å; L148-F190 HydrophobicContact CD1-CE2 4.1Å; L148-L323 HydrophobicContact CG-CD1 4.41Å
149	A	98.9	Very high	98.9	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.033	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-38.1	175.9	0	0	0	0	0	112.5	P145 A146 N147 A153 I290 A318 V319 L323	P145-A149 WeakPolarHBondContact O-CB 3.13Å; P145-A149 PolarHBondContact O-N 2.9Å; A146-A149 PolarHBondContact O-N 3Å; N147-A149 VanDerWaalsContact C-N 3.33Å; N147-A149 PolarHBondContact O-N 2.98Å; A149-A153 VanDerWaalsContact O-CB 3.24Å; A149-A153 WeakPolarHBondContact O-CB 3.32Å; A149-A153 PolarHBondContact O-N 3.06Å; A149-I290 HydrophobicContact CB-CD1 3.92Å; A149-A318 WeakPolarHBondContact O-CB 3.36Å; A149-V319 HydrophobicContact CB-CG2 3.75Å; A149-L323 HydrophobicContact CB-CD1 3.87Å
150	V	98.9	Very high	98.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-46.4	172.9	174.7	0	0	0	0	111.2	A146 N147 L148 A153 L154 L220 L249 I273 T275 I290 I315	A146-V150 WeakPolarHBondContact O-CG2 3.23Å; A146-V150 PolarHBondContact O-N 2.82Å; A146-V150 VanDerWaalsContact O-N 3.16Å; N147-V150 WeakPolarHBondContact O-CB 3.41Å; N147-V150 PolarHBondContact O-N 3.47Å; L148-V150 VanDerWaalsContact C-N 3.32Å; L148-V150 PolarHBondContact O-N 2.87Å; V150-A153 PolarHBondContact O-N 3.3Å; V150-L154 HydrophobicContact CG1-CD1 3.89Å; V150-L154 HydrophobicContact CG1-CG 4.4Å; V150-L154 WeakPolarHBondContact O-CB 3.36Å; V150-L154 WeakPolarHBondContact O-CG 3.3Å; V150-L154 PolarHBondContact O-N 2.86Å; V150-L154 VanDerWaalsContact O-N 3.1Å; V150-L220 HydrophobicContact CG1-CD1 4.11Å; V150-L249 HydrophobicContact CG1-CD1 4.35Å; V150-L249 HydrophobicContact CG1-CD2 4.15Å; V150-I273 HydrophobicContact CG1-CG2 4.02Å; V150-I273 HydrophobicContact CG2-CG2 3.79Å; V150-T275 HydrophobicContact CG2-CG2 3.57Å; V150-I290 HydrophobicContact CG2-CD1 4.29Å; V150-I290 HydrophobicContact CG2-CG1 4.24Å; V150-I290 HydrophobicContact CG2-CG2 3.59Å; V150-I315 HydrophobicContact CB-CD1 4.22Å; V150-I315 HydrophobicContact CG1-CD1 4.34Å; V150-I315 HydrophobicContact CG2-CD1 3.94Å
151	Y	98.9	Very high	98.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-50.3	-179.6	-48.3	-32.6	0	0	0	110.5	N147 L148 A153 L154 L155 I161 T173 T186 F190 L220 I222 L249	N147-Y151 HydrophobicContact CB-CE2 4.01Å; N147-Y151 WeakPolarHBondContact O-CD1 3.39Å; N147-Y151 VanDerWaalsContact O-CD2 3.25Å; N147-Y151 WeakPolarHBondContact O-CD2 3.31Å; N147-Y151 WeakPolarHBondContact O-CE2 3.46Å; N147-Y151 PolarHBondContact O-N 3Å; N147-Y151 VanDerWaalsContact O-N 3.09Å; L148-Y151 HydrophobicContact CD1-CD2 4.41Å; L148-Y151 PolarHBondContact O-N 3.36Å; Y151-A153 VanDerWaalsContact C-N 3.26Å; Y151-A153 PolarHBondContact O-N 3.22Å; Y151-L154 PolarHBondContact O-N 3.19Å; Y151-L155 WeakPolarHBondContact O-CA 3.48Å; Y151-L155 WeakPolarHBondContact O-CB 3.36Å; Y151-L155 PolarHBondContact O-N 2.98Å; Y151-I161 HydrophobicContact CD1-CD1 4Å; Y151-I161 HydrophobicContact CD2-CD1 4.25Å; Y151-I161 HydrophobicContact CE1-CD1 4.41Å; Y151-I161 HydrophobicContact CG-CD1 3.93Å; Y151-T173 VanDerWaalsContact CE2-O 3.29Å; Y151-T173 WeakPolarHBondContact CE2-O 3.15Å; Y151-T173 PolarHBondContact OH-O 3.25Å; Y151-T186 HydrophobicContact CD2-CG2 4.08Å; Y151-T186 HydrophobicContact CE2-CG2 3.79Å; Y151-F190 VanDerWaalsContact CB-CE2 3.47Å; Y151-F190 VanDerWaalsContact CB-CZ 3.46Å; Y151-F190 HydrophobicContact CD2-CD2 4.44Å; Y151-F190 HydrophobicContact CD2-CE2 4.21Å; Y151-F190 HydrophobicContact CG-CE2 4.29Å; Y151-L220 HydrophobicContact CD1-CD1 4.4Å; Y151-L220 HydrophobicContact CD1-CD2 4.46Å; Y151-L220 HydrophobicContact CE1-CD2 4.22Å; Y151-I222 HydrophobicContact CE1-CD1 3.96Å; Y151-I222 VanDerWaalsContact OH-CD1 3.23Å; Y151-I222 WeakPolarHBondContact OH-CD1 3.35Å; Y151-L249 HydrophobicContact CE1-CD2 3.66Å
152	T	98.9	Very high	98.9	Very high	56 Å²	56	37 Å²	37	34%	0.344	20%	0.203	S	C	.	.	H	α-helix	trans	-58.6	-35.6	177.9	-60.5	0	0	0	0	112.9	L148 A318 L323	L148-T152 WeakPolarHBondContact O-CB 3.42Å; L148-T152 PolarHBondContact O-N 2.85Å; L148-T152 PolarHBondContact O-OG1 3.45Å; L148-T152 VanDerWaalsContact O-OG1 3.09Å; T152-A318 HydrophobicContact CG2-CB 4.38Å; T152-L323 HydrophobicContact CG2-CD1 4.41Å
153	A	98.9	Very high	98.9	Very high	13 Å²	13	35.2 Å²	35.2	11%	0.107	19%	0.191	C	C	.	.	H	α-helix	trans	-71.5	-37.6	178.8	0	0	0	0	0	113.7	A149 V150 Y151 R314 I315 A318	A149-A153 VanDerWaalsContact O-CB 3.24Å; A149-A153 WeakPolarHBondContact O-CB 3.32Å; A149-A153 PolarHBondContact O-N 3.06Å; V150-A153 PolarHBondContact O-N 3.3Å; Y151-A153 VanDerWaalsContact C-N 3.26Å; Y151-A153 PolarHBondContact O-N 3.22Å; A153-R314 HydrophobicContact CB-CB 4.22Å; A153-R314 WeakPolarHBondContact CB-O 3.42Å; A153-R314 PolarHBondContact O-NH1 3.15Å; A153-I315 HydrophobicContact CB-CD1 3.58Å; A153-I315 HydrophobicContact CB-CG1 4.14Å; A153-A318 HydrophobicContact CB-CB 3.62Å
154	L	98.8	Very high	98.9	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.052	19%	0.186	C	C	.	.	H	α-helix	trans	-104.2	-21.4	-166.4	-57.6	-171.1	0	0	0	113.5	V150 Y151 L220 I273 F311 R314 I315	V150-L154 HydrophobicContact CG1-CD1 3.89Å; V150-L154 HydrophobicContact CG1-CG 4.4Å; V150-L154 WeakPolarHBondContact O-CB 3.36Å; V150-L154 WeakPolarHBondContact O-CG 3.3Å; V150-L154 PolarHBondContact O-N 2.86Å; V150-L154 VanDerWaalsContact O-N 3.1Å; Y151-L154 PolarHBondContact O-N 3.19Å; L154-L220 HydrophobicContact CD1-CD1 4.31Å; L154-I273 HydrophobicContact CD1-CD1 4.3Å; L154-I273 HydrophobicContact CD1-CG1 3.83Å; L154-F311 HydrophobicContact CD1-CD1 4.33Å; L154-F311 HydrophobicContact CD1-CE1 4.27Å; L154-F311 HydrophobicContact CD2-CD1 3.6Å; L154-F311 HydrophobicContact CD2-CE1 4.04Å; L154-R314 VanDerWaalsContact CD2-CZ 3.49Å; L154-I315 HydrophobicContact CD2-CD1 4.43Å; L154-I315 HydrophobicContact CG-CD1 4.36Å
155	L	98.8	Very high	98.8	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	17%	0.173	C	C	.	.			trans	-123.8	147.3	-169.7	-54.1	-176.1	0	0	0	110.4	Y151 D159 I161 F190 R219 L220	Y151-L155 WeakPolarHBondContact O-CA 3.48Å; Y151-L155 WeakPolarHBondContact O-CB 3.36Å; Y151-L155 PolarHBondContact O-N 2.98Å; L155-D159 HydrophobicContact CB-CB 3.86Å; L155-D159 HydrophobicContact CD2-CB 4.3Å; L155-D159 HydrophobicContact CG-CB 4.49Å; L155-I161 HydrophobicContact CD1-CD1 3.61Å; L155-I161 HydrophobicContact CD1-CG1 3.44Å; L155-I161 VanDerWaalsContact CD1-CG1 3.44Å; L155-F190 HydrophobicContact CB-CD1 4.07Å; L155-F190 HydrophobicContact CB-CE1 3.79Å; L155-F190 HydrophobicContact CD1-CD1 4.24Å; L155-F190 HydrophobicContact CD1-CE1 4.47Å; L155-R219 HydrophobicContact CD2-CB 3.42Å; L155-R219 VanDerWaalsContact CD2-CB 3.42Å; L155-R219 HydrophobicContact CD2-CG 4.48Å; L155-L220 HydrophobicContact CD1-CB 4.09Å; L155-L220 HydrophobicContact CD2-CB 4.12Å
156	Q	98.8	Very high	98.6	Very high	133 Å²	133	33.5 Å²	33.5	62%	0.621	17%	0.172	S	C	*	.			trans	-79.2	159.7	166	-60.1	-56.9	-56.1	0	0	110.2	H158 D159 F190	Q156-H158 PolarHBondContact O-N 2.83Å; Q156-D159 PolarHBondContact N-OD2 3.4Å; Q156-D159 VanDerWaalsContact O-CB 3.3Å; Q156-D159 WeakPolarHBondContact O-CB 3.4Å; Q156-D159 PolarHBondContact O-N 2.96Å; Q156-F190 WeakPolarHBondContact O-CD1 3.45Å
157	P	98.8	Very high	98.3	Very high	90 Å²	90	35 Å²	35	58%	0.584	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.2	136.5	165.8	-26.1	35.5	0	0	0	110.7	D159	P157-D159 PolarHBondContact O-N 3.28Å
158	H	98.8	Very high	98.2	Very high	118 Å²	118	35.9 Å²	35.9	55%	0.546	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	4.1	-175.6	-46.6	-69.1	0	0	0	116.8	Q156 F189 E191	Q156-H158 PolarHBondContact O-N 2.83Å; H158-F189 PolarHBondContact N-O 3.41Å; H158-E191 HydrophobicContact CB-CG 4.22Å; H158-E191 IonicContact ND1-OE1 3.26Å; H158-E191 PolarHBondContact ND1-OE1 3.02Å; H158-E191 WeakPolarHBondContact O-CG 3.34Å
159	D	98.9	Very high	98	Very high	44 Å²	44	33.8 Å²	33.8	24%	0.235	18%	0.176	C	C	.	.			trans	-63.2	157	166	-90.2	-20.4	0	0	0	111	L155 Q156 P157 F190 E191 R219	L155-D159 HydrophobicContact CB-CB 3.86Å; L155-D159 HydrophobicContact CD2-CB 4.3Å; L155-D159 HydrophobicContact CG-CB 4.49Å; Q156-D159 PolarHBondContact N-OD2 3.4Å; Q156-D159 VanDerWaalsContact O-CB 3.3Å; Q156-D159 WeakPolarHBondContact O-CB 3.4Å; Q156-D159 PolarHBondContact O-N 2.96Å; P157-D159 PolarHBondContact O-N 3.28Å; D159-F190 WeakPolarHBondContact O-CB 3.5Å; D159-E191 PolarHBondContact O-N 2.83Å; D159-R219 HydrophobicContact CB-CB 4.41Å; D159-R219 HydrophobicContact CB-CG 4.06Å
160	R	98.9	Very high	98	Very high	107 Å²	107	33.7 Å²	33.7	40%	0.404	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.5	-166.7	-69.4	-179.9	-174.6	169	0	113.1	E191 F216 R219 L220	R160-E191 CarbonylContact C-O 3.49Å; R160-E191 VanDerWaalsContact CA-O 3.26Å; R160-E191 WeakPolarHBondContact CA-O 3.2Å; R160-E191 HydrophobicContact CG-CB 4.07Å; R160-F216 HydrophobicContact CB-CD1 4.21Å; R160-F216 HydrophobicContact CB-CE1 3.58Å; R160-F216 HydrophobicContact CB-CZ 3.82Å; R160-F216 WeakPolarHBondContact CD-O 3.42Å; R160-F216 HydrophobicContact CG-CE1 3.96Å; R160-F216 HydrophobicContact CG-CE2 4.12Å; R160-F216 HydrophobicContact CG-CZ 3.67Å; R160-F216 PolarHBondContact NH1-O 3.21Å; R160-R219 PolarHBondContact O-N 3.1Å; R160-L220 PolarHBondContact O-N 3.46Å
161	I	98.9	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.5	177.8	-61.4	174.4	0	0	0	109.7	Y151 L155 T186 F190 E191 S192 M193 L220 I222	Y151-I161 HydrophobicContact CD1-CD1 4Å; Y151-I161 HydrophobicContact CD2-CD1 4.25Å; Y151-I161 HydrophobicContact CE1-CD1 4.41Å; Y151-I161 HydrophobicContact CG-CD1 3.93Å; L155-I161 HydrophobicContact CD1-CD1 3.61Å; L155-I161 HydrophobicContact CD1-CG1 3.44Å; L155-I161 VanDerWaalsContact CD1-CG1 3.44Å; I161-T186 HydrophobicContact CD1-CG2 3.78Å; I161-F190 HydrophobicContact CD1-CB 3.67Å; I161-F190 HydrophobicContact CD1-CD1 4.38Å; I161-F190 HydrophobicContact CD1-CD2 4.07Å; I161-F190 HydrophobicContact CD1-CG 3.78Å; I161-F190 HydrophobicContact CG1-CB 4.26Å; I161-E191 PolarHBondContact N-O 3.21Å; I161-S192 CarbonylContact O-C 3.53Å; I161-S192 VanDerWaalsContact O-CA 3.32Å; I161-S192 WeakPolarHBondContact O-CA 3.09Å; I161-M193 PolarHBondContact O-N 3.11Å; I161-L220 WeakPolarHBondContact CA-O 3.47Å; I161-L220 HydrophobicContact CG2-CD2 4.3Å; I161-I222 HydrophobicContact CG2-CD1 3.58Å; I161-I222 HydrophobicContact CG2-CG1 4.07Å
162	M	98.9	Very high	97.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.3	165.8	-69.8	-178.8	70.9	0	0	111.2	M193 Y195 L209 T212 A213 F216 P218 L220 I221 I222	M162-M193 WeakPolarHBondContact CA-O 2.95Å; M162-M193 HydrophobicContact CE-CE 3.61Å; M162-M193 WeakPolarHBondContact CG-O 3.35Å; M162-M193 HydrophobicContact SD-CE 3.93Å; M162-Y195 HydrophobicContact CB-CD1 4.4Å; M162-L209 HydrophobicContact CE-CD1 3.67Å; M162-L209 HydrophobicContact SD-CD1 4.49Å; M162-T212 WeakPolarHBondContact CE-OG1 3.36Å; M162-A213 HydrophobicContact SD-CB 3.96Å; M162-F216 HydrophobicContact CG-CD1 3.66Å; M162-F216 HydrophobicContact CG-CE1 4.02Å; M162-F216 HydrophobicContact SD-CB 4.41Å; M162-F216 HydrophobicContact SD-CD1 3.94Å; M162-P218 HydrophobicContact CB-CB 4.4Å; M162-P218 HydrophobicContact CG-CB 3.93Å; M162-P218 HydrophobicContact CG-CG 4.15Å; M162-P218 HydrophobicContact SD-CB 4.19Å; M162-P218 HydrophobicContact SD-CG 3.75Å; M162-L220 PolarHBondContact N-O 3.46Å; M162-I221 HydrophobicContact CB-CG1 4.4Å; M162-I221 CarbonylContact O-C 3.56Å; M162-I221 WeakPolarHBondContact O-CA 3.32Å; M162-I222 PolarHBondContact O-N 3.2Å
163	G	98.9	Very high	97.8	Very high	2 Å²	2	38 Å²	38	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	163.3	175.9	0	0	0	0	0	110.9	D165 P194 Y195	G163-D165 PolarHBondContact O-N 2.85Å; G163-P194 CarbonylContact O-C 3.58Å; G163-P194 VanDerWaalsContact O-CA 3.23Å; G163-P194 WeakPolarHBondContact O-CA 3.27Å; G163-Y195 VanDerWaalsContact O-CD1 3.31Å; G163-Y195 WeakPolarHBondContact O-CD1 3.34Å; G163-Y195 PolarHBondContact O-N 3Å
164	L	98.7	Very high	97.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	138	174.9	-177.7	63.3	0	0	0	109	D168 G170 Y195 L197 I204 T225	L164-D168 HydrophobicContact CD1-CB 3.97Å; L164-D168 WeakPolarHBondContact CD2-O 3.3Å; L164-D168 HydrophobicContact CG-CB 4.24Å; L164-G170 WeakPolarHBondContact O-CA 3.45Å; L164-Y195 HydrophobicContact CB-CD2 4.28Å; L164-Y195 HydrophobicContact CB-CE1 4.45Å; L164-Y195 HydrophobicContact CB-CE2 3.6Å; L164-Y195 HydrophobicContact CD1-CD2 3.73Å; L164-Y195 HydrophobicContact CD1-CE2 3.6Å; L164-Y195 WeakPolarHBondContact CD1-O 3.31Å; L164-Y195 HydrophobicContact CG-CE2 4.15Å; L164-Y195 VanDerWaalsContact N-CZ 3.32Å; L164-L197 HydrophobicContact CD1-CD2 4.14Å; L164-L197 HydrophobicContact CD1-CG 4.46Å; L164-I204 HydrophobicContact CD1-CG1 4.36Å; L164-T225 HydrophobicContact CD2-CG2 3.59Å
165	D	97.4	Very high	97.8	Very high	24 Å²	24	37.5 Å²	37.5	13%	0.128	19%	0.192	C	C	.	.			trans	-60	146.4	179.4	-158.8	7.1	0	0	0	111.7	G163 P167 D168 G169 G170 P194 Y195 K196	G163-D165 PolarHBondContact O-N 2.85Å; D165-P167 WeakPolarHBondContact OD1-CD 3.44Å; D165-D168 HydrophobicContact CB-CB 3.98Å; D165-D168 CarbonylContact O-C 3.58Å; D165-D168 WeakPolarHBondContact O-CA 3.41Å; D165-D168 WeakPolarHBondContact O-CB 3.3Å; D165-D168 PolarHBondContact O-N 2.91Å; D165-D168 VanDerWaalsContact O-N 3.08Å; D165-G169 PolarHBondContact O-N 3.08Å; D165-G170 PolarHBondContact O-N 2.88Å; D165-P194 HydrophobicContact CB-CB 3.65Å; D165-P194 HydrophobicContact CB-CG 4.43Å; D165-Y195 PolarHBondContact N-O 3.09Å; D165-K196 HydrophobicContact CB-CD 3.48Å; D165-K196 VanDerWaalsContact CB-CD 3.48Å; D165-K196 WeakPolarHBondContact OD2-CD 3.38Å; D165-K196 WeakPolarHBondContact OD2-CE 3.39Å; D165-K196 IonicContact OD2-NZ 2.62Å; D165-K196 PolarHBondContact OD2-NZ 3.43Å
166	L	94.2	Very high	97.7	Very high	50 Å²	50	39.6 Å²	39.6	26%	0.262	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-59.9	-47	-176.6	-177.9	70.1	0	0	0	112.7	D168 G169 L172 Y176	L166-D168 PolarHBondContact O-N 3.49Å; L166-G169 PolarHBondContact O-N 3.25Å; L166-L172 HydrophobicContact CD1-CD2 4.36Å; L166-L172 HydrophobicContact CD1-CG 4.13Å; L166-L172 HydrophobicContact CD2-CD2 3.63Å; L166-L172 HydrophobicContact CD2-CG 4.24Å; L166-Y176 HydrophobicContact CB-CD2 3.56Å; L166-Y176 HydrophobicContact CB-CE2 3.81Å; L166-Y176 HydrophobicContact CB-CG 4.14Å; L166-Y176 HydrophobicContact CD2-CD1 3.7Å; L166-Y176 HydrophobicContact CD2-CD2 3.85Å; L166-Y176 HydrophobicContact CD2-CE1 3.65Å; L166-Y176 HydrophobicContact CD2-CE2 3.82Å; L166-Y176 HydrophobicContact CD2-CG 3.8Å; L166-Y176 HydrophobicContact CG-CD2 4.37Å; L166-Y176 HydrophobicContact CG-CE2 4.45Å
167	P	93.4	Very high	97.6	Very high	30 Å²	30	36.7 Å²	36.7	20%	0.195	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-68.8	-17.5	178	-14.8	31.5	0	0	0	113.1	D165 G169 T411	D165-P167 WeakPolarHBondContact OD1-CD 3.44Å; P167-G169 VanDerWaalsContact C-N 3.32Å; P167-T411 HydrophobicContact CB-CG2 3.85Å; P167-T411 WeakPolarHBondContact O-CB 3.42Å
168	D	96.1	Very high	97.4	Very high	20 Å²	20	34.8 Å²	34.8	11%	0.107	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-92	2.6	179.7	-77.2	46.6	0	0	0	112	L164 D165 L166 K196 L197	L164-D168 HydrophobicContact CD1-CB 3.97Å; L164-D168 WeakPolarHBondContact CD2-O 3.3Å; L164-D168 HydrophobicContact CG-CB 4.24Å; D165-D168 HydrophobicContact CB-CB 3.98Å; D165-D168 CarbonylContact O-C 3.58Å; D165-D168 WeakPolarHBondContact O-CA 3.41Å; D165-D168 WeakPolarHBondContact O-CB 3.3Å; D165-D168 PolarHBondContact O-N 2.91Å; D165-D168 VanDerWaalsContact O-N 3.08Å; L166-D168 PolarHBondContact O-N 3.49Å; D168-K196 IonicContact OD1-NZ 3.37Å; D168-K196 PolarHBondContact OD1-NZ 2.95Å; D168-K196 WeakPolarHBondContact OD2-CA 3.45Å; D168-K196 WeakPolarHBondContact OD2-CB 3.35Å; D168-K196 IonicContact OD2-NZ 2.84Å; D168-L197 HydrophobicContact CB-CD1 4.28Å; D168-L197 HydrophobicContact CB-CG 3.94Å; D168-L197 WeakPolarHBondContact O-CD1 3.37Å; D168-L197 PolarHBondContact OD2-N 3.3Å
169	G	95.9	Very high	97.1	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.021	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.7	6.9	174.5	0	0	0	0	0	115.1	D165 L166 P167 T225 S226 A227	D165-G169 PolarHBondContact O-N 3.08Å; L166-G169 PolarHBondContact O-N 3.25Å; P167-G169 VanDerWaalsContact C-N 3.32Å; G169-T225 CarbonylContact O-C 3.41Å; G169-T225 WeakPolarHBondContact O-CA 3.43Å; G169-S226 PolarHBondContact O-N 2.9Å; G169-A227 VanDerWaalsContact CA-O 3.3Å; G169-A227 WeakPolarHBondContact CA-O 3.41Å; G169-A227 PolarHBondContact O-N 2.85Å
170	G	97.1	Very high	97	Very high	3 Å²	3	42 Å²	42	3%	0.031	22%	0.224	C	C	.	.			trans	-66.8	-177.8	169.9	0	0	0	0	0	113.3	L164 D165	L164-G170 WeakPolarHBondContact O-CA 3.45Å; D165-G170 PolarHBondContact O-N 2.88Å
171	H	98.1	Very high	96.8	Very high	57 Å²	57	43.8 Å²	43.8	26%	0.264	23%	0.234	S	C	.	.			trans	-116.3	151.6	175.1	-173.2	-108.9	0	0	0	110.8	T173 H174 S226	H171-T173 PolarHBondContact ND1-N 2.87Å; H171-T173 PolarHBondContact ND1-OG1 3.13Å; H171-T173 PolarHBondContact O-N 2.94Å; H171-H174 PolarHBondContact N-ND1 3.25Å; H171-H174 WeakPolarHBondContact O-CB 3.22Å; H171-H174 PolarHBondContact O-N 3.46Å; H171-S226 WeakPolarHBondContact CB-OG 3.5Å; H171-S226 PolarHBondContact CD2-OG 2.65Å; H171-S226 VanDerWaalsContact CD2-OG 3.25Å
172	L	97.3	Very high	96.8	Very high	77 Å²	77	48.4 Å²	48.4	40%	0.403	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-51.3	-37.2	180	-78.2	167.1	0	0	0	113	L166 H174 G175 Y176 S184	L166-L172 HydrophobicContact CD1-CD2 4.36Å; L166-L172 HydrophobicContact CD1-CG 4.13Å; L166-L172 HydrophobicContact CD2-CD2 3.63Å; L166-L172 HydrophobicContact CD2-CG 4.24Å; L172-H174 PolarHBondContact O-N 3.17Å; L172-G175 PolarHBondContact O-N 3.42Å; L172-Y176 HydrophobicContact CD2-CD1 3.7Å; L172-Y176 HydrophobicContact CD2-CE1 4.49Å; L172-Y176 HydrophobicContact CD2-CG 4.17Å; L172-S184 WeakPolarHBondContact O-CB 3.45Å; L172-S184 PolarHBondContact O-OG 3.45Å
173	T	98.7	Very high	96.7	Very high	13 Å²	13	52.3 Å²	52.3	8%	0.08	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-73.2	-7.5	-177.8	61.3	0	0	0	0	113.7	S144 N147 Y151 H171 G175 T186	S144-T173 VanDerWaalsContact CB-CG2 3.48Å; S144-T173 WeakPolarHBondContact OG-CG2 3.01Å; N147-T173 PolarHBondContact ND2-OG1 2.98Å; Y151-T173 VanDerWaalsContact CE2-O 3.29Å; Y151-T173 WeakPolarHBondContact CE2-O 3.15Å; Y151-T173 PolarHBondContact OH-O 3.25Å; H171-T173 PolarHBondContact ND1-N 2.87Å; H171-T173 PolarHBondContact ND1-OG1 3.13Å; H171-T173 PolarHBondContact O-N 2.94Å; T173-G175 VanDerWaalsContact C-N 3.26Å; T173-T186 PolarHBondContact O-OG1 3.33Å
174	H	98.8	Very high	96.6	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.014	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-85.6	-4.2	177.6	-53.7	164.5	0	0	0	112.5	H171 L172 I222 G224 D251	H171-H174 PolarHBondContact N-ND1 3.25Å; H171-H174 WeakPolarHBondContact O-CB 3.22Å; H171-H174 PolarHBondContact O-N 3.46Å; L172-H174 PolarHBondContact O-N 3.17Å; H174-I222 HydrophobicContact CB-CD1 3.81Å; H174-G224 PolarHBondContact CE1-O 3.41Å; H174-G224 VanDerWaalsContact CE1-O 3.3Å; H174-D251 IonicContact CD2-OD2 2.73Å; H174-D251 IonicContact CE1-OD2 2.77Å; H174-D251 IonicContact NE2-OD2 2.77Å; H174-D251 PolarHBondContact NE2-OD2 2.83Å
175	G	98.3	Very high	96.6	Very high	8 Å²	8	54.9 Å²	54.9	8%	0.082	29%	0.292	C	S	.	.			trans	112.3	121.1	-176.4	0	0	0	0	0	110.1	L172 T173 S187	L172-G175 PolarHBondContact O-N 3.42Å; T173-G175 VanDerWaalsContact C-N 3.26Å; G175-S187 WeakPolarHBondContact CA-OG 3.37Å
176	Y	97.4	Very high	96.7	Very high	49 Å²	49	54 Å²	54	19%	0.192	29%	0.287	C	S	.	.			trans	-148.6	126.5	175.4	-174.6	-120.2	0	0	0	111.3	L166 L172 I183 S184 S187	L166-Y176 HydrophobicContact CB-CD2 3.56Å; L166-Y176 HydrophobicContact CB-CE2 3.81Å; L166-Y176 HydrophobicContact CB-CG 4.14Å; L166-Y176 HydrophobicContact CD2-CD1 3.7Å; L166-Y176 HydrophobicContact CD2-CD2 3.85Å; L166-Y176 HydrophobicContact CD2-CE1 3.65Å; L166-Y176 HydrophobicContact CD2-CE2 3.82Å; L166-Y176 HydrophobicContact CD2-CG 3.8Å; L166-Y176 HydrophobicContact CG-CD2 4.37Å; L166-Y176 HydrophobicContact CG-CE2 4.45Å; L172-Y176 HydrophobicContact CD2-CD1 3.7Å; L172-Y176 HydrophobicContact CD2-CE1 4.49Å; L172-Y176 HydrophobicContact CD2-CG 4.17Å; Y176-I183 HydrophobicContact CD1-CB 3.89Å; Y176-I183 HydrophobicContact CD1-CD1 3.71Å; Y176-I183 HydrophobicContact CD1-CG1 4.38Å; Y176-I183 HydrophobicContact CD1-CG2 4.02Å; Y176-I183 HydrophobicContact CE1-CB 4.43Å; Y176-I183 HydrophobicContact CE1-CD1 3.37Å; Y176-I183 HydrophobicContact CE1-CG1 4.47Å; Y176-I183 PolarHBondContact O-N 3.2Å; Y176-S184 PolarHBondContact O-N 3.29Å; Y176-S187 PolarHBondContact N-OG 3.43Å; Y176-S187 PolarHBondContact O-OG 3.44Å
177	M	96.1	Very high	96.9	Very high	73 Å²	73	51.6 Å²	51.6	36%	0.36	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.6	177.4	59.8	-166.3	178.8	0	0	109	K181 R182 S192	M177-K181 CarbonylContact C-O 3.52Å; M177-K181 WeakPolarHBondContact CA-O 3.25Å; M177-R182 HydrophobicContact CB-CB 4.4Å; M177-R182 HydrophobicContact CB-CG 4.08Å; M177-R182 HydrophobicContact SD-CG 4.35Å; M177-S192 WeakPolarHBondContact CE-O 3.41Å
178	S	94.1	Very high	97.1	Very high	49 Å²	49	54.1 Å²	54.1	34%	0.343	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	174.3	165.4	68.9	0	0	0	0	110	V180 K181	S178-V180 PolarHBondContact O-N 2.73Å; S178-V180 PolarHBondContact OG-N 3.16Å; S178-K181 PolarHBondContact N-O 2.92Å; S178-K181 PolarHBondContact O-N 2.67Å; S178-K181 PolarHBondContact OG-N 2.85Å; S178-K181 PolarHBondContact OG-O 3.32Å
179	D	93.6	Very high	97.3	Very high	177 Å²	177	58.6 Å²	58.6	95%	0.947	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.7	175.7	-56.4	-25.7	0	0	0	113.5
180	V	95.4	Very high	97.4	Very high	138 Å²	138	58.8 Å²	58.8	84%	0.836	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-9.7	-173.2	-60.7	0	0	0	0	114	S178	S178-V180 PolarHBondContact O-N 2.73Å; S178-V180 PolarHBondContact OG-N 3.16Å
181	K	96.2	Very high	97.5	Very high	144 Å²	144	61.1 Å²	61.1	63%	0.626	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.1	132.9	-174.1	-169	171.9	-179.5	179.4	0	113.6	M177 S178	M177-K181 CarbonylContact C-O 3.52Å; M177-K181 WeakPolarHBondContact CA-O 3.25Å; S178-K181 PolarHBondContact N-O 2.92Å; S178-K181 PolarHBondContact O-N 2.67Å; S178-K181 PolarHBondContact OG-N 2.85Å; S178-K181 PolarHBondContact OG-O 3.32Å
182	R	97.9	Very high	97.5	Very high	96 Å²	96	58.8 Å²	58.8	36%	0.362	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	121.1	164	-67.8	161.5	-176.8	-97.2	5	109	M177 S187 I188 E191	M177-R182 HydrophobicContact CB-CB 4.4Å; M177-R182 HydrophobicContact CB-CG 4.08Å; M177-R182 HydrophobicContact SD-CG 4.35Å; R182-S187 WeakPolarHBondContact CD-O 3.23Å; R182-S187 PolarHBondContact NH1-O 3Å; R182-I188 HydrophobicContact CB-CG1 3.87Å; R182-E191 IonicContact CZ-OE1 3.59Å; R182-E191 IonicContact CZ-OE2 3.73Å; R182-E191 IonicContact NH1-OE1 2.74Å; R182-E191 PolarHBondContact NH1-OE1 3.41Å; R182-E191 IonicContact NH1-OE2 2.82Å; R182-E191 PolarHBondContact NH1-OE2 3.47Å; R182-E191 IonicContact NH2-OE1 3.93Å; R182-E191 IonicContact NH2-OE2 3.83Å; R182-E191 PolarHBondContact NH2-OE2 3.48Å
183	I	96.4	Very high	97.6	Very high	83 Å²	83	57.6 Å²	57.6	43%	0.426	30%	0.298	S	S	.	.			trans	-101.3	-51.4	-173.2	-66.3	166.4	0	0	0	110.2	Y176	Y176-I183 HydrophobicContact CD1-CB 3.89Å; Y176-I183 HydrophobicContact CD1-CD1 3.71Å; Y176-I183 HydrophobicContact CD1-CG1 4.38Å; Y176-I183 HydrophobicContact CD1-CG2 4.02Å; Y176-I183 HydrophobicContact CE1-CB 4.43Å; Y176-I183 HydrophobicContact CE1-CD1 3.37Å; Y176-I183 HydrophobicContact CE1-CG1 4.47Å; Y176-I183 PolarHBondContact O-N 3.2Å
184	S	98	Very high	97.6	Very high	12 Å²	12	59.4 Å²	59.4	8%	0.084	31%	0.31	C	S	.	.	S	Bend	trans	-74.9	140.4	178.8	-177.6	0	0	0	0	111.2	L172 Y176 T186 S187 I188	L172-S184 WeakPolarHBondContact O-CB 3.45Å; L172-S184 PolarHBondContact O-OG 3.45Å; Y176-S184 PolarHBondContact O-N 3.29Å; S184-T186 PolarHBondContact O-N 2.97Å; S184-T186 PolarHBondContact OG-N 3.33Å; S184-T186 PolarHBondContact OG-OG1 3.46Å; S184-S187 PolarHBondContact O-N 3.36Å; S184-I188 WeakPolarHBondContact O-CG1 3.36Å; S184-I188 PolarHBondContact O-N 3.32Å; S184-I188 VanDerWaalsContact O-N 3.11Å
185	A	98.6	Very high	97.6	Very high	44 Å²	44	59.4 Å²	59.4	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-55.2	-32.9	170.7	0	0	0	0	0	112	S187 I188 F189	A185-S187 VanDerWaalsContact C-N 3.3Å; A185-S187 PolarHBondContact O-N 2.84Å; A185-I188 PolarHBondContact O-N 2.99Å; A185-I188 VanDerWaalsContact O-N 3.07Å; A185-F189 HydrophobicContact CB-CD2 4.18Å; A185-F189 HydrophobicContact CB-CE2 4.04Å; A185-F189 VanDerWaalsContact O-CD2 3.23Å; A185-F189 WeakPolarHBondContact O-CD2 3.36Å; A185-F189 PolarHBondContact O-N 3.01Å
186	T	98.8	Very high	97.6	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-55.8	-46.4	172.8	-53.7	0	0	0	0	111	Y151 I161 T173 S184 I188 F190	Y151-T186 HydrophobicContact CD2-CG2 4.08Å; Y151-T186 HydrophobicContact CE2-CG2 3.79Å; I161-T186 HydrophobicContact CD1-CG2 3.78Å; T173-T186 PolarHBondContact O-OG1 3.33Å; S184-T186 PolarHBondContact O-N 2.97Å; S184-T186 PolarHBondContact OG-N 3.33Å; S184-T186 PolarHBondContact OG-OG1 3.46Å; T186-I188 VanDerWaalsContact C-N 3.29Å; T186-I188 PolarHBondContact O-N 2.85Å; T186-F190 HydrophobicContact CG2-CD2 4.48Å; T186-F190 CarbonylContact O-C 3.54Å; T186-F190 WeakPolarHBondContact O-CA 3.46Å; T186-F190 VanDerWaalsContact O-CB 3.24Å; T186-F190 WeakPolarHBondContact O-CB 3.5Å; T186-F190 WeakPolarHBondContact O-CD2 3.32Å; T186-F190 PolarHBondContact O-N 3.25Å; T186-F190 VanDerWaalsContact O-O 3.12Å
187	S	98.6	Very high	97.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-76.6	-15	178.9	-55.7	0	0	0	0	113.3	G175 Y176 R182 S184 A185 F190 S192	G175-S187 WeakPolarHBondContact CA-OG 3.37Å; Y176-S187 PolarHBondContact N-OG 3.43Å; Y176-S187 PolarHBondContact O-OG 3.44Å; R182-S187 WeakPolarHBondContact CD-O 3.23Å; R182-S187 PolarHBondContact NH1-O 3Å; S184-S187 PolarHBondContact O-N 3.36Å; A185-S187 VanDerWaalsContact C-N 3.3Å; A185-S187 PolarHBondContact O-N 2.84Å; S187-F190 CarbonylContact C-O 3.53Å; S187-F190 WeakPolarHBondContact CA-O 3.44Å; S187-S192 WeakPolarHBondContact CB-OG 3.41Å; S187-S192 PolarHBondContact OG-OG 3.18Å
188	I	98.7	Very high	97.7	Very high	83 Å²	83	59.3 Å²	59.3	43%	0.426	31%	0.309	S	S	.	.	H	α-helix	trans	-82.1	-46.8	176.4	-66.5	169.5	0	0	0	110.1	R182 S184 A185 T186	R182-I188 HydrophobicContact CB-CG1 3.87Å; S184-I188 WeakPolarHBondContact O-CG1 3.36Å; S184-I188 PolarHBondContact O-N 3.32Å; S184-I188 VanDerWaalsContact O-N 3.11Å; A185-I188 PolarHBondContact O-N 2.99Å; A185-I188 VanDerWaalsContact O-N 3.07Å; T186-I188 VanDerWaalsContact C-N 3.29Å; T186-I188 PolarHBondContact O-N 2.85Å
189	F	98.8	Very high	97.7	Very high	114 Å²	114	61.3 Å²	61.3	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-90.6	-20.7	-175.7	-58.1	-55.6	0	0	0	113.8	H158 A185	H158-F189 PolarHBondContact N-O 3.41Å; A185-F189 HydrophobicContact CB-CD2 4.18Å; A185-F189 HydrophobicContact CB-CE2 4.04Å; A185-F189 VanDerWaalsContact O-CD2 3.23Å; A185-F189 WeakPolarHBondContact O-CD2 3.36Å; A185-F189 PolarHBondContact O-N 3.01Å
190	F	98.9	Very high	97.7	Very high	7 Å²	7	62.5 Å²	62.5	3%	0.031	32%	0.317	C	S	.	.	S	Bend	trans	-129.6	161.7	179.7	-51	-82.4	0	0	0	110.7	L148 Y151 L155 Q156 D159 I161 T186 S187 S192	L148-F190 HydrophobicContact CD1-CE2 4.1Å; Y151-F190 VanDerWaalsContact CB-CE2 3.47Å; Y151-F190 VanDerWaalsContact CB-CZ 3.46Å; Y151-F190 HydrophobicContact CD2-CD2 4.44Å; Y151-F190 HydrophobicContact CD2-CE2 4.21Å; Y151-F190 HydrophobicContact CG-CE2 4.29Å; L155-F190 HydrophobicContact CB-CD1 4.07Å; L155-F190 HydrophobicContact CB-CE1 3.79Å; L155-F190 HydrophobicContact CD1-CD1 4.24Å; L155-F190 HydrophobicContact CD1-CE1 4.47Å; Q156-F190 WeakPolarHBondContact O-CD1 3.45Å; D159-F190 WeakPolarHBondContact O-CB 3.5Å; I161-F190 HydrophobicContact CD1-CB 3.67Å; I161-F190 HydrophobicContact CD1-CD1 4.38Å; I161-F190 HydrophobicContact CD1-CD2 4.07Å; I161-F190 HydrophobicContact CD1-CG 3.78Å; I161-F190 HydrophobicContact CG1-CB 4.26Å; T186-F190 HydrophobicContact CG2-CD2 4.48Å; T186-F190 CarbonylContact O-C 3.54Å; T186-F190 WeakPolarHBondContact O-CA 3.46Å; T186-F190 VanDerWaalsContact O-CB 3.24Å; T186-F190 WeakPolarHBondContact O-CB 3.5Å; T186-F190 WeakPolarHBondContact O-CD2 3.32Å; T186-F190 PolarHBondContact O-N 3.25Å; T186-F190 VanDerWaalsContact O-O 3.12Å; S187-F190 CarbonylContact C-O 3.53Å; S187-F190 WeakPolarHBondContact CA-O 3.44Å; F190-S192 PolarHBondContact O-N 2.99Å
191	E	98.9	Very high	97.8	Very high	51 Å²	51	59.1 Å²	59.1	24%	0.238	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	99.7	177.7	-64.7	-53.8	139.6	0	0	110.3	H158 D159 R160 I161 R182 F216	H158-E191 HydrophobicContact CB-CG 4.22Å; H158-E191 IonicContact ND1-OE1 3.26Å; H158-E191 PolarHBondContact ND1-OE1 3.02Å; H158-E191 WeakPolarHBondContact O-CG 3.34Å; D159-E191 PolarHBondContact O-N 2.83Å; R160-E191 CarbonylContact C-O 3.49Å; R160-E191 VanDerWaalsContact CA-O 3.26Å; R160-E191 WeakPolarHBondContact CA-O 3.2Å; R160-E191 HydrophobicContact CG-CB 4.07Å; I161-E191 PolarHBondContact N-O 3.21Å; R182-E191 IonicContact CZ-OE1 3.59Å; R182-E191 IonicContact CZ-OE2 3.73Å; R182-E191 IonicContact NH1-OE1 2.74Å; R182-E191 PolarHBondContact NH1-OE1 3.41Å; R182-E191 IonicContact NH1-OE2 2.82Å; R182-E191 PolarHBondContact NH1-OE2 3.47Å; R182-E191 IonicContact NH2-OE1 3.93Å; R182-E191 IonicContact NH2-OE2 3.83Å; R182-E191 PolarHBondContact NH2-OE2 3.48Å; E191-F216 WeakPolarHBondContact O-CZ 3.48Å
192	S	98.8	Very high	97.8	Very high	8 Å²	8	52.5 Å²	52.5	6%	0.056	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.8	-179.5	60.8	0	0	0	0	112.4	I161 M177 S187 F190	I161-S192 CarbonylContact O-C 3.53Å; I161-S192 VanDerWaalsContact O-CA 3.32Å; I161-S192 WeakPolarHBondContact O-CA 3.09Å; M177-S192 WeakPolarHBondContact CE-O 3.41Å; S187-S192 WeakPolarHBondContact CB-OG 3.41Å; S187-S192 PolarHBondContact OG-OG 3.18Å; F190-S192 PolarHBondContact O-N 2.99Å
193	M	98.8	Very high	97.8	Very high	53 Å²	53	51.1 Å²	51.1	26%	0.261	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.3	165.8	-172.3	-177.1	77.3	0	0	109.7	I161 M162 F216	I161-M193 PolarHBondContact O-N 3.11Å; M162-M193 WeakPolarHBondContact CA-O 2.95Å; M162-M193 HydrophobicContact CE-CE 3.61Å; M162-M193 WeakPolarHBondContact CG-O 3.35Å; M162-M193 HydrophobicContact SD-CE 3.93Å; M193-F216 HydrophobicContact CB-CD1 3.77Å; M193-F216 HydrophobicContact CB-CD2 4.05Å; M193-F216 HydrophobicContact CB-CE1 3.49Å; M193-F216 VanDerWaalsContact CB-CE1 3.49Å; M193-F216 HydrophobicContact CB-CE2 3.82Å; M193-F216 HydrophobicContact CB-CG 4.03Å; M193-F216 HydrophobicContact CB-CZ 3.54Å; M193-F216 HydrophobicContact CE-CB 3.32Å; M193-F216 HydrophobicContact CE-CD1 3.96Å; M193-F216 HydrophobicContact CE-CD2 4.23Å; M193-F216 HydrophobicContact CE-CG 3.6Å; M193-F216 HydrophobicContact SD-CB 3.91Å; M193-F216 HydrophobicContact SD-CD1 4.37Å; M193-F216 HydrophobicContact SD-CD2 3.75Å; M193-F216 HydrophobicContact SD-CE2 4.36Å; M193-F216 HydrophobicContact SD-CG 3.76Å
194	P	98.7	Very high	98	Very high	50 Å²	50	47.5 Å²	47.5	33%	0.325	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	152	-176.4	29.9	-34	0	0	0	112.6	G163 D165	G163-P194 CarbonylContact O-C 3.58Å; G163-P194 VanDerWaalsContact O-CA 3.23Å; G163-P194 WeakPolarHBondContact O-CA 3.27Å; D165-P194 HydrophobicContact CB-CB 3.65Å; D165-P194 HydrophobicContact CB-CG 4.43Å
195	Y	98.8	Very high	98	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	160.7	156.5	65	-96.7	0	0	0	110.3	M162 G163 L164 D165 I204 L209 I221 I222 M237	M162-Y195 HydrophobicContact CB-CD1 4.4Å; G163-Y195 VanDerWaalsContact O-CD1 3.31Å; G163-Y195 WeakPolarHBondContact O-CD1 3.34Å; G163-Y195 PolarHBondContact O-N 3Å; L164-Y195 HydrophobicContact CB-CD2 4.28Å; L164-Y195 HydrophobicContact CB-CE1 4.45Å; L164-Y195 HydrophobicContact CB-CE2 3.6Å; L164-Y195 HydrophobicContact CD1-CD2 3.73Å; L164-Y195 HydrophobicContact CD1-CE2 3.6Å; L164-Y195 WeakPolarHBondContact CD1-O 3.31Å; L164-Y195 HydrophobicContact CG-CE2 4.15Å; L164-Y195 VanDerWaalsContact N-CZ 3.32Å; D165-Y195 PolarHBondContact N-O 3.09Å; Y195-I204 HydrophobicContact CD2-CG2 4.01Å; Y195-I204 HydrophobicContact CE2-CD1 4.26Å; Y195-I204 HydrophobicContact CE2-CG1 4.38Å; Y195-I204 HydrophobicContact CE2-CG2 3.9Å; Y195-L209 HydrophobicContact CD1-CD1 3.75Å; Y195-L209 HydrophobicContact CD1-CD2 4.49Å; Y195-L209 HydrophobicContact CE1-CD1 4.49Å; Y195-L209 HydrophobicContact CG-CD1 3.88Å; Y195-L209 HydrophobicContact CG-CD2 4.42Å; Y195-L209 HydrophobicContact CG-CG 4.5Å; Y195-I221 HydrophobicContact CE1-CG2 4.45Å; Y195-I222 WeakPolarHBondContact CE1-O 3.41Å; Y195-I222 PolarHBondContact OH-O 3.4Å; Y195-M237 HydrophobicContact CE1-CE 4.26Å
196	K	98.2	Very high	98	Very high	68 Å²	68	48.3 Å²	48.3	30%	0.296	25%	0.245	S	C	.	.			trans	-125.5	165.1	-163.5	-57.8	-72.3	-90	165.4	0	111.9	D165 D168 D205	D165-K196 HydrophobicContact CB-CD 3.48Å; D165-K196 VanDerWaalsContact CB-CD 3.48Å; D165-K196 WeakPolarHBondContact OD2-CD 3.38Å; D165-K196 WeakPolarHBondContact OD2-CE 3.39Å; D165-K196 IonicContact OD2-NZ 2.62Å; D165-K196 PolarHBondContact OD2-NZ 3.43Å; D168-K196 IonicContact OD1-NZ 3.37Å; D168-K196 PolarHBondContact OD1-NZ 2.95Å; D168-K196 WeakPolarHBondContact OD2-CA 3.45Å; D168-K196 WeakPolarHBondContact OD2-CB 3.35Å; D168-K196 IonicContact OD2-NZ 2.84Å; K196-D205 PolarHBondContact O-N 2.84Å; K196-D205 VanDerWaalsContact O-N 3.08Å
197	L	98.2	Very high	98	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	154	165.1	-58	178.9	0	0	0	110.2	L164 D168 P199 L203 I204 Y228 P413	L164-L197 HydrophobicContact CD1-CD2 4.14Å; L164-L197 HydrophobicContact CD1-CG 4.46Å; D168-L197 HydrophobicContact CB-CD1 4.28Å; D168-L197 HydrophobicContact CB-CG 3.94Å; D168-L197 WeakPolarHBondContact O-CD1 3.37Å; D168-L197 PolarHBondContact OD2-N 3.3Å; L197-P199 VanDerWaalsContact O-CD 3.27Å; L197-P199 WeakPolarHBondContact O-CD 3.26Å; L197-L203 CarbonylContact C-O 3.55Å; L197-L203 WeakPolarHBondContact CA-O 3.47Å; L197-L203 WeakPolarHBondContact CB-O 3.37Å; L197-L203 VanDerWaalsContact CD2-C 3.47Å; L197-I204 HydrophobicContact CD2-CB 4.33Å; L197-I204 HydrophobicContact CD2-CG1 3.7Å; L197-Y228 HydrophobicContact CD2-CD2 3.99Å; L197-Y228 HydrophobicContact CD2-CE2 3.62Å; L197-P413 HydrophobicContact CD1-CG 3.8Å
198	N	97.2	Very high	98	Very high	49 Å²	49	57.7 Å²	57.7	26%	0.262	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	113.8	160.1	-177.5	-35.8	0	0	0	108.4	K200 T201 G202 L203 D205	N198-K200 PolarHBondContact O-N 3.01Å; N198-K200 VanDerWaalsContact O-N 3.08Å; N198-K200 WeakPolarHBondContact OD1-CB 3.48Å; N198-K200 PolarHBondContact OD1-N 3.3Å; N198-T201 PolarHBondContact O-N 3.04Å; N198-T201 VanDerWaalsContact O-N 3.16Å; N198-T201 PolarHBondContact O-OG1 3Å; N198-G202 PolarHBondContact O-N 3.19Å; N198-L203 PolarHBondContact N-O 3.02Å; N198-D205 HydrophobicContact CB-CB 4.21Å
199	P	94	Very high	98	Very high	91 Å²	91	53.8 Å²	53.8	59%	0.591	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.4	-173.5	-22.8	34.7	0	0	0	114.4	L197 P413	L197-P199 VanDerWaalsContact O-CD 3.27Å; L197-P199 WeakPolarHBondContact O-CD 3.26Å; P199-P413 HydrophobicContact CB-CB 4.23Å
200	K	94.4	Very high	98	Very high	202 Å²	202	48.4 Å²	48.4	88%	0.878	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-36.8	178.1	-62.9	-176.9	178.4	179.6	0	112.2	N198	N198-K200 PolarHBondContact O-N 3.01Å; N198-K200 VanDerWaalsContact O-N 3.08Å; N198-K200 WeakPolarHBondContact OD1-CB 3.48Å; N198-K200 PolarHBondContact OD1-N 3.3Å
201	T	96.9	Very high	98	Very high	68 Å²	68	52.7 Å²	52.7	42%	0.417	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-21.5	-175.6	63.7	0	0	0	0	112.4	N198 L203 S374	N198-T201 PolarHBondContact O-N 3.04Å; N198-T201 VanDerWaalsContact O-N 3.16Å; N198-T201 PolarHBondContact O-OG1 3Å; T201-L203 PolarHBondContact O-N 3.33Å; T201-L203 PolarHBondContact OG1-N 2.93Å; T201-S374 WeakPolarHBondContact O-CA 3.07Å
202	G	96.8	Very high	98	Very high	4 Å²	4	51.6 Å²	51.6	4%	0.041	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	18.7	-171.3	0	0	0	0	0	113.3	N198 Y228	N198-G202 PolarHBondContact O-N 3.19Å; G202-Y228 WeakPolarHBondContact O-CE2 3.45Å
203	L	98.5	Very high	98	Very high	68 Å²	68	51.2 Å²	51.2	36%	0.356	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	155.4	178.6	-54.8	-178.6	0	0	0	110.7	L197 N198 T201 D205 Y228 R230	L197-L203 CarbonylContact C-O 3.55Å; L197-L203 WeakPolarHBondContact CA-O 3.47Å; L197-L203 WeakPolarHBondContact CB-O 3.37Å; L197-L203 VanDerWaalsContact CD2-C 3.47Å; N198-L203 PolarHBondContact N-O 3.02Å; T201-L203 PolarHBondContact O-N 3.33Å; T201-L203 PolarHBondContact OG1-N 2.93Å; L203-D205 PolarHBondContact O-N 3.11Å; L203-Y228 WeakPolarHBondContact CA-OH 3.16Å; L203-R230 HydrophobicContact CD2-CB 4.21Å; L203-R230 HydrophobicContact CD2-CG 3.61Å
204	I	98.8	Very high	98	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.036	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	130	172.6	-66.5	168.5	0	0	0	109.5	L164 Y195 L197 Y206 Y228 I232	L164-I204 HydrophobicContact CD1-CG1 4.36Å; Y195-I204 HydrophobicContact CD2-CG2 4.01Å; Y195-I204 HydrophobicContact CE2-CD1 4.26Å; Y195-I204 HydrophobicContact CE2-CG1 4.38Å; Y195-I204 HydrophobicContact CE2-CG2 3.9Å; L197-I204 HydrophobicContact CD2-CB 4.33Å; L197-I204 HydrophobicContact CD2-CG1 3.7Å; I204-Y206 HydrophobicContact CB-CD2 4.4Å; I204-Y206 HydrophobicContact CB-CE1 4.06Å; I204-Y206 HydrophobicContact CB-CE2 3.93Å; I204-Y206 HydrophobicContact CD1-CE1 4.47Å; I204-Y206 HydrophobicContact CG2-CD1 3.77Å; I204-Y206 HydrophobicContact CG2-CD2 4.3Å; I204-Y206 HydrophobicContact CG2-CE1 3.64Å; I204-Y206 HydrophobicContact CG2-CE2 4.19Å; I204-Y206 HydrophobicContact CG2-CG 4.1Å; I204-Y206 VanDerWaalsContact O-CD2 3.28Å; I204-Y206 WeakPolarHBondContact O-CD2 3.3Å; I204-Y206 PolarHBondContact O-N 2.94Å; I204-Y206 VanDerWaalsContact O-N 3.13Å; I204-Y228 HydrophobicContact CD1-CE1 4.12Å; I204-Y228 HydrophobicContact CG1-CE1 4.38Å; I204-Y228 HydrophobicContact CG1-CE2 4.18Å; I204-Y228 PolarHBondContact N-OH 3.24Å; I204-Y228 VanDerWaalsContact N-OH 3.16Å; I204-I232 HydrophobicContact CD1-CG1 4.31Å
205	D	98.7	Very high	98	Very high	34 Å²	34	57.7 Å²	57.7	18%	0.182	29%	0.29	C	S	.	.			trans	-84.1	84.8	174.5	-162	-42.6	0	0	0	109.5	K196 N198 L203 D207 Q208 L209	K196-D205 PolarHBondContact O-N 2.84Å; K196-D205 VanDerWaalsContact O-N 3.08Å; N198-D205 HydrophobicContact CB-CB 4.21Å; L203-D205 PolarHBondContact O-N 3.11Å; D205-D207 PolarHBondContact O-N 3.32Å; D205-D207 PolarHBondContact OD1-N 2.83Å; D205-Q208 HydrophobicContact CB-CB 3.99Å; D205-Q208 PolarHBondContact O-N 3.5Å; D205-Q208 WeakPolarHBondContact OD1-CB 3.31Å; D205-Q208 PolarHBondContact OD1-N 2.62Å; D205-L209 WeakPolarHBondContact O-CB 3.48Å; D205-L209 PolarHBondContact O-N 3.5Å
206	Y	98.8	Very high	98	Very high	38 Å²	38	59.1 Å²	59.1	15%	0.149	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-27.1	-176.7	-63.4	-77.7	0	0	0	113	I204 A210 D233 R236 M237	I204-Y206 HydrophobicContact CB-CD2 4.4Å; I204-Y206 HydrophobicContact CB-CE1 4.06Å; I204-Y206 HydrophobicContact CB-CE2 3.93Å; I204-Y206 HydrophobicContact CD1-CE1 4.47Å; I204-Y206 HydrophobicContact CG2-CD1 3.77Å; I204-Y206 HydrophobicContact CG2-CD2 4.3Å; I204-Y206 HydrophobicContact CG2-CE1 3.64Å; I204-Y206 HydrophobicContact CG2-CE2 4.19Å; I204-Y206 HydrophobicContact CG2-CG 4.1Å; I204-Y206 VanDerWaalsContact O-CD2 3.28Å; I204-Y206 WeakPolarHBondContact O-CD2 3.3Å; I204-Y206 PolarHBondContact O-N 2.94Å; I204-Y206 VanDerWaalsContact O-N 3.13Å; Y206-A210 WeakPolarHBondContact O-CB 3.44Å; Y206-A210 PolarHBondContact O-N 3.32Å; Y206-D233 HydrophobicContact CE1-CB 4.13Å; Y206-D233 HydrophobicContact CE2-CB 4.12Å; Y206-D233 PolarHBondContact OH-N 2.79Å; Y206-R236 HydrophobicContact CD1-CB 4.43Å; Y206-R236 HydrophobicContact CD1-CG 3.99Å; Y206-R236 HydrophobicContact CG-CG 3.95Å; Y206-M237 HydrophobicContact CD1-SD 3.93Å; Y206-M237 HydrophobicContact CE1-CG 4.11Å; Y206-M237 HydrophobicContact CE1-SD 3.78Å
207	D	98.7	Very high	98.1	Very high	110 Å²	110	61.2 Å²	61.2	59%	0.588	30%	0.303	S	S	*	.	H	α-helix	trans	-74.9	-42.4	178.1	-69.2	-30.3	0	0	0	110.8	D205 L209 A210 L211 R236	D205-D207 PolarHBondContact O-N 3.32Å; D205-D207 PolarHBondContact OD1-N 2.83Å; D207-L209 VanDerWaalsContact C-N 3.34Å; D207-A210 PolarHBondContact O-N 3.02Å; D207-L211 WeakPolarHBondContact O-CB 3.18Å; D207-L211 PolarHBondContact O-N 3.09Å; D207-R236 IonicContact OD1-NH2 3.87Å; D207-R236 PolarHBondContact OD1-NH2 3.35Å
208	Q	98.8	Very high	98.1	Very high	92 Å²	92	60.8 Å²	60.8	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-64.3	-39.2	171.1	-173.2	175.4	-19.5	0	0	111.7	D205 L211 T212	D205-Q208 HydrophobicContact CB-CB 3.99Å; D205-Q208 PolarHBondContact O-N 3.5Å; D205-Q208 WeakPolarHBondContact OD1-CB 3.31Å; D205-Q208 PolarHBondContact OD1-N 2.62Å; Q208-L211 PolarHBondContact O-N 3.36Å; Q208-T212 HydrophobicContact CG-CG2 4.19Å; Q208-T212 WeakPolarHBondContact O-CB 3.29Å; Q208-T212 WeakPolarHBondContact O-CG2 3.34Å; Q208-T212 PolarHBondContact O-N 3.4Å; Q208-T212 PolarHBondContact O-OG1 3.36Å
209	L	98.9	Very high	98.2	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-57.5	-50.9	171.8	167.6	60.3	0	0	0	111	M162 Y195 D205 D207 L211 T212 A213 M237	M162-L209 HydrophobicContact CE-CD1 3.67Å; M162-L209 HydrophobicContact SD-CD1 4.49Å; Y195-L209 HydrophobicContact CD1-CD1 3.75Å; Y195-L209 HydrophobicContact CD1-CD2 4.49Å; Y195-L209 HydrophobicContact CE1-CD1 4.49Å; Y195-L209 HydrophobicContact CG-CD1 3.88Å; Y195-L209 HydrophobicContact CG-CD2 4.42Å; Y195-L209 HydrophobicContact CG-CG 4.5Å; D205-L209 WeakPolarHBondContact O-CB 3.48Å; D205-L209 PolarHBondContact O-N 3.5Å; D207-L209 VanDerWaalsContact C-N 3.34Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L209-L211 PolarHBondContact O-N 3.48Å; L209-T212 PolarHBondContact O-N 3.39Å; L209-T212 PolarHBondContact O-OG1 2.91Å; L209-A213 WeakPolarHBondContact O-CB 3.29Å; L209-A213 PolarHBondContact O-N 3.49Å; L209-M237 HydrophobicContact CD2-CE 3.76Å; L209-M237 HydrophobicContact CD2-SD 3.29Å; L209-M237 WeakPolarHBondContact CD2-SD 3.15Å
210	A	98.8	Very high	98.4	Very high	2 Å²	2	58.9 Å²	58.9	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-44.5	179.1	0	0	0	0	0	111.7	Y206 D207 R214 V240	Y206-A210 WeakPolarHBondContact O-CB 3.44Å; Y206-A210 PolarHBondContact O-N 3.32Å; D207-A210 PolarHBondContact O-N 3.02Å; A210-R214 WeakPolarHBondContact O-CG 3.39Å; A210-R214 PolarHBondContact O-N 3.15Å; A210-R214 PolarHBondContact O-NH1 3.17Å; A210-V240 HydrophobicContact CB-CG2 3.72Å
211	L	98.8	Very high	98.6	Very high	96 Å²	96	49.3 Å²	49.3	50%	0.503	24%	0.236	S	C	.	.	H	α-helix	trans	-60.4	-52	177.1	-177.8	153.3	0	0	0	111.7	D207 Q208 L209 R214 L215	D207-L211 WeakPolarHBondContact O-CB 3.18Å; D207-L211 PolarHBondContact O-N 3.09Å; Q208-L211 PolarHBondContact O-N 3.36Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L209-L211 PolarHBondContact O-N 3.48Å; L211-R214 WeakPolarHBondContact O-CB 3.46Å; L211-R214 PolarHBondContact O-N 3.23Å; L211-L215 HydrophobicContact CD2-CD1 4.08Å
212	T	98.9	Very high	98.7	Very high	28 Å²	28	46.1 Å²	46.1	17%	0.172	22%	0.216	C	C	.	.	H	α-helix	trans	-71.4	-31.5	-175.5	52.7	0	0	0	0	112.4	M162 Q208 L209 R214 L215 F216	M162-T212 WeakPolarHBondContact CE-OG1 3.36Å; Q208-T212 HydrophobicContact CG-CG2 4.19Å; Q208-T212 WeakPolarHBondContact O-CB 3.29Å; Q208-T212 WeakPolarHBondContact O-CG2 3.34Å; Q208-T212 PolarHBondContact O-N 3.4Å; Q208-T212 PolarHBondContact O-OG1 3.36Å; L209-T212 PolarHBondContact O-N 3.39Å; L209-T212 PolarHBondContact O-OG1 2.91Å; T212-R214 VanDerWaalsContact C-N 3.34Å; T212-R214 PolarHBondContact O-N 3.36Å; T212-L215 PolarHBondContact O-N 3.14Å; T212-F216 WeakPolarHBondContact O-CB 3.49Å; T212-F216 PolarHBondContact O-N 3.31Å
213	A	98.9	Very high	98.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-36.3	173.5	0	0	0	0	0	112.4	M162 L209 L215 R217 P218 I221 V240 V244	M162-A213 HydrophobicContact SD-CB 3.96Å; L209-A213 WeakPolarHBondContact O-CB 3.29Å; L209-A213 PolarHBondContact O-N 3.49Å; A213-L215 VanDerWaalsContact C-N 3.27Å; A213-L215 PolarHBondContact O-N 2.91Å; A213-R217 WeakPolarHBondContact O-CA 3.27Å; A213-R217 PolarHBondContact O-N 3.43Å; A213-P218 HydrophobicContact CB-CG 4.22Å; A213-P218 VanDerWaalsContact O-CD 3.25Å; A213-P218 WeakPolarHBondContact O-CD 3.47Å; A213-I221 HydrophobicContact CB-CD1 4.29Å; A213-V240 HydrophobicContact CB-CG1 3.76Å; A213-V244 HydrophobicContact CB-CG1 4.16Å
214	R	98.8	Very high	98.8	Very high	105 Å²	105	42.7 Å²	42.7	40%	0.396	20%	0.198	S	C	.	.	H	α-helix	trans	-62	-36.8	174.7	-69.8	171	-169.6	108.6	12.7	112.3	A210 L211 T212 R217 E243 V244	A210-R214 WeakPolarHBondContact O-CG 3.39Å; A210-R214 PolarHBondContact O-N 3.15Å; A210-R214 PolarHBondContact O-NH1 3.17Å; L211-R214 WeakPolarHBondContact O-CB 3.46Å; L211-R214 PolarHBondContact O-N 3.23Å; T212-R214 VanDerWaalsContact C-N 3.34Å; T212-R214 PolarHBondContact O-N 3.36Å; R214-R217 WeakPolarHBondContact O-CD 3.17Å; R214-E243 WeakPolarHBondContact CD-OE1 3.33Å; R214-E243 WeakPolarHBondContact CG-OE1 3.23Å; R214-E243 IonicContact CZ-OE1 3.23Å; R214-E243 IonicContact CZ-OE2 3.84Å; R214-E243 IonicContact NE-OE1 3.86Å; R214-E243 PolarHBondContact NE-OE1 3.4Å; R214-E243 IonicContact NE-OE2 3.57Å; R214-E243 PolarHBondContact NE-OE2 2.93Å; R214-E243 IonicContact NH2-OE1 3.9Å; R214-E243 PolarHBondContact NH2-OE1 2.81Å; R214-E243 IonicContact NH2-OE2 2.64Å; R214-E243 PolarHBondContact NH2-OE2 2.81Å; R214-V244 HydrophobicContact CG-CG1 4.42Å
215	L	98.8	Very high	98.8	Very high	134 Å²	134	43.3 Å²	43.3	70%	0.702	20%	0.202	S	C	*	.	H	α-helix	trans	-79.6	-47.4	-179.6	-60.2	176.5	0	0	0	111.5	L211 T212 A213	L211-L215 HydrophobicContact CD2-CD1 4.08Å; T212-L215 PolarHBondContact O-N 3.14Å; A213-L215 VanDerWaalsContact C-N 3.27Å; A213-L215 PolarHBondContact O-N 2.91Å
216	F	98.9	Very high	98.8	Very high	35 Å²	35	42.5 Å²	42.5	15%	0.154	20%	0.199	C	C	.	.	H	α-helix	trans	-79.7	-23.1	-175.3	-173.3	-116.8	0	0	0	113.1	R160 M162 E191 M193 T212 P218	R160-F216 HydrophobicContact CB-CD1 4.21Å; R160-F216 HydrophobicContact CB-CE1 3.58Å; R160-F216 HydrophobicContact CB-CZ 3.82Å; R160-F216 WeakPolarHBondContact CD-O 3.42Å; R160-F216 HydrophobicContact CG-CE1 3.96Å; R160-F216 HydrophobicContact CG-CE2 4.12Å; R160-F216 HydrophobicContact CG-CZ 3.67Å; R160-F216 PolarHBondContact NH1-O 3.21Å; M162-F216 HydrophobicContact CG-CD1 3.66Å; M162-F216 HydrophobicContact CG-CE1 4.02Å; M162-F216 HydrophobicContact SD-CB 4.41Å; M162-F216 HydrophobicContact SD-CD1 3.94Å; E191-F216 WeakPolarHBondContact O-CZ 3.48Å; M193-F216 HydrophobicContact CB-CD1 3.77Å; M193-F216 HydrophobicContact CB-CD2 4.05Å; M193-F216 HydrophobicContact CB-CE1 3.49Å; M193-F216 VanDerWaalsContact CB-CE1 3.49Å; M193-F216 HydrophobicContact CB-CE2 3.82Å; M193-F216 HydrophobicContact CB-CG 4.03Å; M193-F216 HydrophobicContact CB-CZ 3.54Å; M193-F216 HydrophobicContact CE-CB 3.32Å; M193-F216 HydrophobicContact CE-CD1 3.96Å; M193-F216 HydrophobicContact CE-CD2 4.23Å; M193-F216 HydrophobicContact CE-CG 3.6Å; M193-F216 HydrophobicContact SD-CB 3.91Å; M193-F216 HydrophobicContact SD-CD1 4.37Å; M193-F216 HydrophobicContact SD-CD2 3.75Å; M193-F216 HydrophobicContact SD-CE2 4.36Å; M193-F216 HydrophobicContact SD-CG 3.76Å; T212-F216 WeakPolarHBondContact O-CB 3.49Å; T212-F216 PolarHBondContact O-N 3.31Å; F216-P218 HydrophobicContact CD1-CB 4.44Å
217	R	98.8	Very high	98.7	Very high	112 Å²	112	40.9 Å²	40.9	42%	0.423	19%	0.193	S	C	.	.			trans	52.9	60.6	178.5	-55.7	-61.5	-60.7	175.7	1.9	112.3	A213 R214 V244	A213-R217 WeakPolarHBondContact O-CA 3.27Å; A213-R217 PolarHBondContact O-N 3.43Å; R214-R217 WeakPolarHBondContact O-CD 3.17Å; R217-V244 PolarHBondContact NH2-O 3.3Å; R217-V244 VanDerWaalsContact NH2-O 3.12Å
218	P	98.9	Very high	98.7	Very high	1 Å²	1	36 Å²	36	1%	0.006	17%	0.167	C	C	.	.			trans	-61.2	148.8	176.7	28.6	-34.9	0	0	0	111.1	M162 A213 F216 I221 V244 A246	M162-P218 HydrophobicContact CB-CB 4.4Å; M162-P218 HydrophobicContact CG-CB 3.93Å; M162-P218 HydrophobicContact CG-CG 4.15Å; M162-P218 HydrophobicContact SD-CB 4.19Å; M162-P218 HydrophobicContact SD-CG 3.75Å; A213-P218 HydrophobicContact CB-CG 4.22Å; A213-P218 VanDerWaalsContact O-CD 3.25Å; A213-P218 WeakPolarHBondContact O-CD 3.47Å; F216-P218 HydrophobicContact CD1-CB 4.44Å; P218-I221 HydrophobicContact CB-CG1 4.03Å; P218-I221 HydrophobicContact CG-CD1 3.77Å; P218-I221 HydrophobicContact CG-CG1 3.62Å; P218-V244 HydrophobicContact CG-CG2 4.04Å; P218-A246 HydrophobicContact CG-CB 4.49Å; P218-A246 WeakPolarHBondContact O-CB 3.49Å
219	R	98.9	Very high	98.7	Very high	100 Å²	100	31.7 Å²	31.7	38%	0.377	15%	0.147	S	C	.	.	S	Bend	trans	-88.3	-23	168.2	-62.8	-62.7	-65.5	136.5	1.3	111.4	L155 D159 R160 K245 A246 H247	L155-R219 HydrophobicContact CD2-CB 3.42Å; L155-R219 VanDerWaalsContact CD2-CB 3.42Å; L155-R219 HydrophobicContact CD2-CG 4.48Å; D159-R219 HydrophobicContact CB-CB 4.41Å; D159-R219 HydrophobicContact CB-CG 4.06Å; R160-R219 PolarHBondContact O-N 3.1Å; R219-K245 PolarHBondContact NH1-O 3.33Å; R219-A246 CarbonylContact O-C 3.57Å; R219-A246 WeakPolarHBondContact O-CA 3.42Å; R219-H247 PolarHBondContact O-N 3.04Å
220	L	98.9	Very high	98.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	135.8	176.6	-176.4	151.1	0	0	0	110.5	V150 Y151 L154 L155 R160 I161 M162 I222 H247 L249	V150-L220 HydrophobicContact CG1-CD1 4.11Å; Y151-L220 HydrophobicContact CD1-CD1 4.4Å; Y151-L220 HydrophobicContact CD1-CD2 4.46Å; Y151-L220 HydrophobicContact CE1-CD2 4.22Å; L154-L220 HydrophobicContact CD1-CD1 4.31Å; L155-L220 HydrophobicContact CD1-CB 4.09Å; L155-L220 HydrophobicContact CD2-CB 4.12Å; R160-L220 PolarHBondContact O-N 3.46Å; I161-L220 WeakPolarHBondContact CA-O 3.47Å; I161-L220 HydrophobicContact CG2-CD2 4.3Å; M162-L220 PolarHBondContact N-O 3.46Å; L220-I222 HydrophobicContact CD2-CD1 4.22Å; L220-I222 HydrophobicContact CD2-CG1 3.46Å; L220-I222 VanDerWaalsContact CD2-CG1 3.46Å; L220-H247 WeakPolarHBondContact CA-O 3.34Å; L220-H247 HydrophobicContact CB-CB 4.36Å; L220-H247 HydrophobicContact CD1-CB 4.25Å; L220-H247 HydrophobicContact CG-CB 4.21Å; L220-L249 HydrophobicContact CD1-CB 4.27Å; L220-L249 HydrophobicContact CD2-CB 3.89Å; L220-L249 HydrophobicContact CD2-CD2 4.2Å; L220-L249 HydrophobicContact CG-CB 4.22Å
221	I	98.9	Very high	98.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135	173	-56.8	-178.9	0	0	0	108.6	M162 Y195 A213 P218 M237 V240 V244 A246 H247 L249	M162-I221 HydrophobicContact CB-CG1 4.4Å; M162-I221 CarbonylContact O-C 3.56Å; M162-I221 WeakPolarHBondContact O-CA 3.32Å; Y195-I221 HydrophobicContact CE1-CG2 4.45Å; A213-I221 HydrophobicContact CB-CD1 4.29Å; P218-I221 HydrophobicContact CB-CG1 4.03Å; P218-I221 HydrophobicContact CG-CD1 3.77Å; P218-I221 HydrophobicContact CG-CG1 3.62Å; I221-M237 HydrophobicContact CG2-CE 3.59Å; I221-V240 HydrophobicContact CD1-CG1 3.87Å; I221-V244 HydrophobicContact CD1-CG2 4.35Å; I221-A246 HydrophobicContact CD1-CB 4.44Å; I221-A246 HydrophobicContact CG1-CB 4.12Å; I221-H247 PolarHBondContact N-O 3Å; I221-L249 PolarHBondContact O-N 3.49Å
222	I	98.9	Very high	98.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.9	-176.9	-50.7	171.7	0	0	0	109.8	Y151 I161 M162 H174 Y195 L220 L249 D251	Y151-I222 HydrophobicContact CE1-CD1 3.96Å; Y151-I222 VanDerWaalsContact OH-CD1 3.23Å; Y151-I222 WeakPolarHBondContact OH-CD1 3.35Å; I161-I222 HydrophobicContact CG2-CD1 3.58Å; I161-I222 HydrophobicContact CG2-CG1 4.07Å; M162-I222 PolarHBondContact O-N 3.2Å; H174-I222 HydrophobicContact CB-CD1 3.81Å; Y195-I222 WeakPolarHBondContact CE1-O 3.41Å; Y195-I222 PolarHBondContact OH-O 3.4Å; L220-I222 HydrophobicContact CD2-CD1 4.22Å; L220-I222 HydrophobicContact CD2-CG1 3.46Å; L220-I222 VanDerWaalsContact CD2-CG1 3.46Å; I222-L249 CarbonylContact C-O 3.52Å; I222-L249 WeakPolarHBondContact CA-O 3.39Å; I222-L249 HydrophobicContact CG1-CD2 4.23Å; I222-L249 HydrophobicContact CG2-CD2 4.47Å; I222-L249 HydrophobicContact CG2-CG 4.49Å; I222-D251 HydrophobicContact CG2-CB 4.31Å
223	A	98.9	Very high	98.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	83.2	172	0	0	0	0	0	109.7	I232 Y234 M237 L248 L249 A250 D251	A223-I232 HydrophobicContact CB-CD1 4.4Å; A223-I232 HydrophobicContact CB-CG2 4.22Å; A223-Y234 HydrophobicContact CB-CD1 4.03Å; A223-Y234 HydrophobicContact CB-CE1 3.93Å; A223-M237 HydrophobicContact CB-CE 3.83Å; A223-M237 HydrophobicContact CB-CG 4.15Å; A223-L248 HydrophobicContact CB-CD1 3.91Å; A223-L249 PolarHBondContact N-O 2.74Å; A223-A250 WeakPolarHBondContact O-CA 3.37Å; A223-D251 PolarHBondContact O-N 2.85Å
224	G	98.6	Very high	98.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	152.1	179.8	0	0	0	0	0	112.2	H174 D251	H174-G224 PolarHBondContact CE1-O 3.41Å; H174-G224 VanDerWaalsContact CE1-O 3.3Å; G224-D251 WeakPolarHBondContact CA-O 3.22Å
225	T	98.8	Very high	98.7	Very high	19 Å²	19	32.3 Å²	32.3	12%	0.117	16%	0.158	C	C	.	.			trans	-144.8	147.7	-169.6	58.7	0	0	0	0	112.3	L164 G169 Y228 I232	L164-T225 HydrophobicContact CD2-CG2 3.59Å; G169-T225 CarbonylContact O-C 3.41Å; G169-T225 WeakPolarHBondContact O-CA 3.43Å; T225-Y228 HydrophobicContact CG2-CD1 4.15Å; T225-Y228 HydrophobicContact CG2-CG 4.09Å; T225-I232 HydrophobicContact CG2-CD1 4.15Å
226	S	97.7	Very high	98.7	Very high	18 Å²	18	29 Å²	29	13%	0.126	14%	0.136	C	C	.	.	S	Bend	trans	-98.1	-34.3	168.5	-69.1	0	0	0	0	113.3	G169 H171 H254 R425	G169-S226 PolarHBondContact O-N 2.9Å; H171-S226 WeakPolarHBondContact CB-OG 3.5Å; H171-S226 PolarHBondContact CD2-OG 2.65Å; H171-S226 VanDerWaalsContact CD2-OG 3.25Å; S226-H254 PolarHBondContact O-CE1 3.12Å; S226-R425 PolarHBondContact O-NH1 2.86Å
227	A	97.9	Very high	98.7	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.033	13%	0.128	C	C	.	.	S	Bend	trans	-136.7	72.1	-175.5	0	0	0	0	0	110.2	G169 L383 N410	G169-A227 VanDerWaalsContact CA-O 3.3Å; G169-A227 WeakPolarHBondContact CA-O 3.41Å; G169-A227 PolarHBondContact O-N 2.85Å; A227-L383 HydrophobicContact CB-CD2 4.07Å; A227-L383 WeakPolarHBondContact O-CD1 3.45Å; A227-N410 WeakPolarHBondContact CB-OD1 3.44Å
228	Y	98.6	Very high	98.7	Very high	7 Å²	7	23.8 Å²	23.8	3%	0.027	12%	0.115	C	C	.	.			trans	-141.6	122.4	177.1	-172.2	-118	0	0	0	108.8	L197 G202 L203 I204 T225 R230 N379	L197-Y228 HydrophobicContact CD2-CD2 3.99Å; L197-Y228 HydrophobicContact CD2-CE2 3.62Å; G202-Y228 WeakPolarHBondContact O-CE2 3.45Å; L203-Y228 WeakPolarHBondContact CA-OH 3.16Å; I204-Y228 HydrophobicContact CD1-CE1 4.12Å; I204-Y228 HydrophobicContact CG1-CE1 4.38Å; I204-Y228 HydrophobicContact CG1-CE2 4.18Å; I204-Y228 PolarHBondContact N-OH 3.24Å; I204-Y228 VanDerWaalsContact N-OH 3.16Å; T225-Y228 HydrophobicContact CG2-CD1 4.15Å; T225-Y228 HydrophobicContact CG2-CG 4.09Å; Y228-R230 VanDerWaalsContact C-N 3.31Å; Y228-R230 HydrophobicContact CD1-CB 4.27Å; Y228-R230 WeakPolarHBondContact CD1-O 3.4Å; Y228-R230 HydrophobicContact CE1-CB 3.65Å; Y228-R230 WeakPolarHBondContact CE1-O 3.26Å; Y228-R230 HydrophobicContact CE2-CB 4.48Å; Y228-R230 PolarHBondContact O-N 3.01Å; Y228-N379 PolarHBondContact O-ND2 3.45Å
229	A	98.7	Very high	98.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	14%	0.137	C	C	.	.	S	Bend	trans	-85.9	-2.6	-171.7	0	0	0	0	0	113.3	G376 T377 D378 L381	A229-G376 WeakPolarHBondContact CB-O 3.27Å; A229-T377 CarbonylContact O-C 3.58Å; A229-T377 VanDerWaalsContact O-CA 3.31Å; A229-T377 WeakPolarHBondContact O-CA 3.35Å; A229-T377 PolarHBondContact O-OG1 3.3Å; A229-D378 PolarHBondContact O-N 3.11Å; A229-L381 HydrophobicContact CB-CD1 4.03Å
230	R	98.8	Very high	98.7	Very high	46 Å²	46	23.9 Å²	23.9	17%	0.174	12%	0.12	C	C	.	.	S	Bend	trans	-112.7	170.6	-177	-58.8	-65.6	179.7	179.5	1.1	111.1	L203 Y228 S374 D378	L203-R230 HydrophobicContact CD2-CB 4.21Å; L203-R230 HydrophobicContact CD2-CG 3.61Å; Y228-R230 VanDerWaalsContact C-N 3.31Å; Y228-R230 HydrophobicContact CD1-CB 4.27Å; Y228-R230 WeakPolarHBondContact CD1-O 3.4Å; Y228-R230 HydrophobicContact CE1-CB 3.65Å; Y228-R230 WeakPolarHBondContact CE1-O 3.26Å; Y228-R230 HydrophobicContact CE2-CB 4.48Å; Y228-R230 PolarHBondContact O-N 3.01Å; R230-S374 WeakPolarHBondContact CG-OG 3.18Å; R230-S374 PolarHBondContact NE-OG 3.14Å; R230-S374 PolarHBondContact NH2-O 3Å; R230-D378 WeakPolarHBondContact CD-OD2 3.42Å; R230-D378 IonicContact CZ-OD2 2.67Å; R230-D378 IonicContact NE-OD2 3.93Å; R230-D378 IonicContact NH1-OD1 3.7Å; R230-D378 PolarHBondContact NH1-OD1 2.91Å; R230-D378 VanDerWaalsContact NH1-OD1 3.15Å; R230-D378 IonicContact NH1-OD2 4Å; R230-D378 PolarHBondContact NH1-OD2 3.15Å
231	L	98.9	Very high	98.7	Very high	58 Å²	58	23.9 Å²	23.9	30%	0.304	12%	0.12	S	C	.	.			trans	-87.1	143.4	175.3	-57.7	172.6	0	0	0	109.7	I264 P265 D378	L231-I264 HydrophobicContact CD1-CB 4.49Å; L231-I264 HydrophobicContact CD2-CB 4.02Å; L231-I264 HydrophobicContact CD2-CD1 4.05Å; L231-I264 HydrophobicContact CD2-CG2 4.03Å; L231-P265 HydrophobicContact CD1-CG 4.13Å; L231-D378 HydrophobicContact CD1-CB 4.18Å; L231-D378 HydrophobicContact CG-CB 3.92Å
232	I	98.9	Very high	98.7	Very high	14 Å²	14	28 Å²	28	7%	0.072	14%	0.141	C	C	.	.			trans	-78.2	138.4	177.2	-58.2	173.3	0	0	0	108.8	I204 A223 T225 Y234 M237	I204-I232 HydrophobicContact CD1-CG1 4.31Å; A223-I232 HydrophobicContact CB-CD1 4.4Å; A223-I232 HydrophobicContact CB-CG2 4.22Å; T225-I232 HydrophobicContact CG2-CD1 4.15Å; I232-Y234 VanDerWaalsContact C-N 3.33Å; I232-Y234 HydrophobicContact CB-CD1 4.29Å; I232-Y234 HydrophobicContact CB-CE1 3.89Å; I232-Y234 HydrophobicContact CB-CE2 4.37Å; I232-Y234 HydrophobicContact CD1-CE1 4.19Å; I232-Y234 HydrophobicContact CG2-CD1 4.04Å; I232-Y234 HydrophobicContact CG2-CE1 4.01Å; I232-Y234 WeakPolarHBondContact O-CD2 2.98Å; I232-Y234 PolarHBondContact O-N 2.77Å; I232-M237 HydrophobicContact CG2-CG 3.89Å
233	D	98.8	Very high	98.7	Very high	76 Å²	76	32.3 Å²	32.3	41%	0.406	16%	0.162	S	C	.	.			trans	-78.6	84.3	169.7	-171.9	-16.8	0	0	0	109.8	Y206 A235 R236 M237	Y206-D233 HydrophobicContact CE1-CB 4.13Å; Y206-D233 HydrophobicContact CE2-CB 4.12Å; Y206-D233 PolarHBondContact OH-N 2.79Å; D233-A235 PolarHBondContact O-N 3.47Å; D233-A235 PolarHBondContact OD1-N 2.87Å; D233-R236 HydrophobicContact CB-CB 3.99Å; D233-R236 PolarHBondContact O-N 2.93Å; D233-R236 PolarHBondContact OD1-N 3.34Å; D233-R236 WeakPolarHBondContact OD2-CB 3.32Å; D233-M237 VanDerWaalsContact O-CG 3.26Å; D233-M237 WeakPolarHBondContact O-CG 3.32Å; D233-M237 PolarHBondContact O-N 3.44Å
234	Y	98.9	Very high	98.7	Very high	15 Å²	15	32.5 Å²	32.5	6%	0.059	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-26.2	-179.1	-64	-64.7	0	0	0	113.4	A223 I232 R238 A250 P267	A223-Y234 HydrophobicContact CB-CD1 4.03Å; A223-Y234 HydrophobicContact CB-CE1 3.93Å; I232-Y234 VanDerWaalsContact C-N 3.33Å; I232-Y234 HydrophobicContact CB-CD1 4.29Å; I232-Y234 HydrophobicContact CB-CE1 3.89Å; I232-Y234 HydrophobicContact CB-CE2 4.37Å; I232-Y234 HydrophobicContact CD1-CE1 4.19Å; I232-Y234 HydrophobicContact CG2-CD1 4.04Å; I232-Y234 HydrophobicContact CG2-CE1 4.01Å; I232-Y234 WeakPolarHBondContact O-CD2 2.98Å; I232-Y234 PolarHBondContact O-N 2.77Å; Y234-R238 WeakPolarHBondContact O-CB 3.41Å; Y234-R238 PolarHBondContact O-N 2.89Å; Y234-A250 HydrophobicContact CE1-CB 4.2Å; Y234-P267 HydrophobicContact CD1-CB 4.16Å; Y234-P267 HydrophobicContact CD2-CB 4.27Å; Y234-P267 HydrophobicContact CE1-CB 3.81Å; Y234-P267 HydrophobicContact CE2-CB 3.92Å; Y234-P267 HydrophobicContact CG-CB 4.39Å
235	A	98.8	Very high	98.7	Very high	37 Å²	37	39.9 Å²	39.9	31%	0.306	20%	0.195	S	C	.	.	H	α-helix	trans	-68.9	-48.2	176.3	0	0	0	0	0	110	D233 M237 R238 E239	D233-A235 PolarHBondContact O-N 3.47Å; D233-A235 PolarHBondContact OD1-N 2.87Å; A235-M237 VanDerWaalsContact C-N 3.34Å; A235-M237 PolarHBondContact O-N 3.25Å; A235-R238 WeakPolarHBondContact O-CB 3.34Å; A235-R238 PolarHBondContact O-N 3.07Å; A235-R238 VanDerWaalsContact O-N 3.09Å; A235-E239 PolarHBondContact O-N 3.27Å
236	R	98.8	Very high	98.7	Very high	64 Å²	64	39.1 Å²	39.1	24%	0.242	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-40.4	175.1	-176.1	54.7	172.4	170.8	-4.3	112.6	Y206 D207 D233 R238 E239 V240	Y206-R236 HydrophobicContact CD1-CB 4.43Å; Y206-R236 HydrophobicContact CD1-CG 3.99Å; Y206-R236 HydrophobicContact CG-CG 3.95Å; D207-R236 IonicContact OD1-NH2 3.87Å; D207-R236 PolarHBondContact OD1-NH2 3.35Å; D233-R236 HydrophobicContact CB-CB 3.99Å; D233-R236 PolarHBondContact O-N 2.93Å; D233-R236 PolarHBondContact OD1-N 3.34Å; D233-R236 WeakPolarHBondContact OD2-CB 3.32Å; R236-R238 VanDerWaalsContact C-N 3.28Å; R236-R238 PolarHBondContact O-N 3.34Å; R236-E239 VanDerWaalsContact CD-OE2 3.3Å; R236-E239 WeakPolarHBondContact CD-OE2 3.4Å; R236-E239 IonicContact CZ-OE2 2.77Å; R236-E239 IonicContact NE-OE2 3.41Å; R236-E239 IonicContact NH1-OE2 3.34Å; R236-E239 PolarHBondContact NH1-OE2 3.06Å; R236-E239 PolarHBondContact O-N 3.47Å; R236-V240 WeakPolarHBondContact O-CG2 3.37Å; R236-V240 PolarHBondContact O-N 2.91Å
237	M	98.9	Very high	98.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-39.8	173.9	-66	-63.5	-75.9	0	0	111.7	Y195 Y206 L209 I221 A223 I232 D233 A235 V240 C241 L248	Y195-M237 HydrophobicContact CE1-CE 4.26Å; Y206-M237 HydrophobicContact CD1-SD 3.93Å; Y206-M237 HydrophobicContact CE1-CG 4.11Å; Y206-M237 HydrophobicContact CE1-SD 3.78Å; L209-M237 HydrophobicContact CD2-CE 3.76Å; L209-M237 HydrophobicContact CD2-SD 3.29Å; L209-M237 WeakPolarHBondContact CD2-SD 3.15Å; I221-M237 HydrophobicContact CG2-CE 3.59Å; A223-M237 HydrophobicContact CB-CE 3.83Å; A223-M237 HydrophobicContact CB-CG 4.15Å; I232-M237 HydrophobicContact CG2-CG 3.89Å; D233-M237 VanDerWaalsContact O-CG 3.26Å; D233-M237 WeakPolarHBondContact O-CG 3.32Å; D233-M237 PolarHBondContact O-N 3.44Å; A235-M237 VanDerWaalsContact C-N 3.34Å; A235-M237 PolarHBondContact O-N 3.25Å; M237-V240 PolarHBondContact O-N 3.06Å; M237-C241 PolarHBondContact O-N 3.07Å; M237-C241 VanDerWaalsContact O-N 3.09Å; M237-C241 PolarHBondContact O-SG 3.05Å; M237-L248 HydrophobicContact CB-CD1 3.98Å; M237-L248 HydrophobicContact CB-CD2 4.29Å
238	R	98.8	Very high	98.8	Very high	37 Å²	37	39.2 Å²	39.2	14%	0.14	19%	0.188	C	C	.	.	H	α-helix	trans	-65.5	-44.8	177.7	170.4	57	112.9	-165.2	-7	112.1	Y234 A235 R236 V240 C241 D242 L248 H270 D272	Y234-R238 WeakPolarHBondContact O-CB 3.41Å; Y234-R238 PolarHBondContact O-N 2.89Å; A235-R238 WeakPolarHBondContact O-CB 3.34Å; A235-R238 PolarHBondContact O-N 3.07Å; A235-R238 VanDerWaalsContact O-N 3.09Å; R236-R238 VanDerWaalsContact C-N 3.28Å; R236-R238 PolarHBondContact O-N 3.34Å; R238-V240 VanDerWaalsContact C-N 3.3Å; R238-V240 PolarHBondContact O-N 3.27Å; R238-C241 PolarHBondContact O-N 3.25Å; R238-C241 VanDerWaalsContact O-N 3.15Å; R238-D242 WeakPolarHBondContact CD-OD1 3.42Å; R238-D242 WeakPolarHBondContact CD-OD2 3.43Å; R238-D242 IonicContact NE-OD1 3.19Å; R238-D242 IonicContact NH1-OD1 3.43Å; R238-D242 PolarHBondContact O-N 3.45Å; R238-L248 HydrophobicContact CB-CD2 3.95Å; R238-H270 HydrophobicContact CB-CB 4.13Å; R238-H270 PolarHBondContact NE-O 3.49Å; R238-H270 PolarHBondContact NH2-O 3.33Å; R238-D272 IonicContact CZ-OD1 2.76Å; R238-D272 IonicContact CZ-OD2 3.24Å; R238-D272 VanDerWaalsContact NH1-CG 3.32Å; R238-D272 IonicContact NH1-OD1 3.76Å; R238-D272 PolarHBondContact NH1-OD1 3.23Å; R238-D272 IonicContact NH1-OD2 3.66Å; R238-D272 PolarHBondContact NH1-OD2 2.95Å; R238-D272 IonicContact NH2-OD1 3.36Å; R238-D272 PolarHBondContact NH2-OD1 2.85Å
239	E	98.8	Very high	98.8	Very high	103 Å²	103	38.9 Å²	38.9	48%	0.481	19%	0.187	S	C	.	.	H	α-helix	trans	-53.8	-47.8	175.6	-69.7	170.2	-171.3	0	0	111.7	A235 R236 C241 D242 E243	A235-E239 PolarHBondContact O-N 3.27Å; R236-E239 VanDerWaalsContact CD-OE2 3.3Å; R236-E239 WeakPolarHBondContact CD-OE2 3.4Å; R236-E239 IonicContact CZ-OE2 2.77Å; R236-E239 IonicContact NE-OE2 3.41Å; R236-E239 IonicContact NH1-OE2 3.34Å; R236-E239 PolarHBondContact NH1-OE2 3.06Å; R236-E239 PolarHBondContact O-N 3.47Å; E239-C241 PolarHBondContact O-N 3.12Å; E239-D242 PolarHBondContact O-N 2.89Å; E239-E243 WeakPolarHBondContact O-CB 3.26Å; E239-E243 PolarHBondContact O-N 3.33Å
240	V	98.9	Very high	98.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-63.2	-43.4	178.7	177.8	0	0	0	0	111.1	A210 A213 I221 R236 M237 R238 E243 V244	A210-V240 HydrophobicContact CB-CG2 3.72Å; A213-V240 HydrophobicContact CB-CG1 3.76Å; I221-V240 HydrophobicContact CD1-CG1 3.87Å; R236-V240 WeakPolarHBondContact O-CG2 3.37Å; R236-V240 PolarHBondContact O-N 2.91Å; M237-V240 PolarHBondContact O-N 3.06Å; R238-V240 VanDerWaalsContact C-N 3.3Å; R238-V240 PolarHBondContact O-N 3.27Å; V240-E243 PolarHBondContact O-N 2.71Å; V240-V244 WeakPolarHBondContact O-CG2 3.49Å; V240-V244 PolarHBondContact O-N 2.77Å; V240-V244 VanDerWaalsContact O-N 3.12Å
241	C	98.9	Very high	98.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-45.4	178.2	-69.1	0	0	0	0	112.1	M237 R238 E239 E243 V244 K245 A246 L248	M237-C241 PolarHBondContact O-N 3.07Å; M237-C241 VanDerWaalsContact O-N 3.09Å; M237-C241 PolarHBondContact O-SG 3.05Å; R238-C241 PolarHBondContact O-N 3.25Å; R238-C241 VanDerWaalsContact O-N 3.15Å; E239-C241 PolarHBondContact O-N 3.12Å; C241-E243 VanDerWaalsContact C-N 3.34Å; C241-E243 PolarHBondContact O-N 3.3Å; C241-V244 PolarHBondContact O-N 3.41Å; C241-K245 CarbonylContact O-C 3.58Å; C241-K245 WeakPolarHBondContact O-CA 3.46Å; C241-K245 PolarHBondContact O-N 2.73Å; C241-A246 HydrophobicContact CB-CB 4.43Å; C241-A246 PolarHBondContact O-N 2.95Å; C241-L248 HydrophobicContact CB-CB 4.28Å
242	D	98.5	Very high	98.8	Very high	86 Å²	86	34.6 Å²	34.6	46%	0.46	17%	0.167	S	C	.	.	H	α-helix	trans	-65.4	-40.1	-179.7	-72.1	-12.3	0	0	0	111.4	R238 E239 V244 K245	R238-D242 WeakPolarHBondContact CD-OD1 3.42Å; R238-D242 WeakPolarHBondContact CD-OD2 3.43Å; R238-D242 IonicContact NE-OD1 3.19Å; R238-D242 IonicContact NH1-OD1 3.43Å; R238-D242 PolarHBondContact O-N 3.45Å; E239-D242 PolarHBondContact O-N 2.89Å; D242-V244 PolarHBondContact O-N 2.69Å; D242-K245 PolarHBondContact O-N 2.81Å
243	E	98.7	Very high	98.8	Very high	92 Å²	92	34.3 Å²	34.3	43%	0.43	17%	0.167	S	C	.	.	H	α-helix	trans	-59.2	-48	176.6	-166.7	-165.1	144.6	0	0	111.8	R214 E239 V240 C241	R214-E243 WeakPolarHBondContact CD-OE1 3.33Å; R214-E243 WeakPolarHBondContact CG-OE1 3.23Å; R214-E243 IonicContact CZ-OE1 3.23Å; R214-E243 IonicContact CZ-OE2 3.84Å; R214-E243 IonicContact NE-OE1 3.86Å; R214-E243 PolarHBondContact NE-OE1 3.4Å; R214-E243 IonicContact NE-OE2 3.57Å; R214-E243 PolarHBondContact NE-OE2 2.93Å; R214-E243 IonicContact NH2-OE1 3.9Å; R214-E243 PolarHBondContact NH2-OE1 2.81Å; R214-E243 IonicContact NH2-OE2 2.64Å; R214-E243 PolarHBondContact NH2-OE2 2.81Å; E239-E243 WeakPolarHBondContact O-CB 3.26Å; E239-E243 PolarHBondContact O-N 3.33Å; V240-E243 PolarHBondContact O-N 2.71Å; C241-E243 VanDerWaalsContact C-N 3.34Å; C241-E243 PolarHBondContact O-N 3.3Å
244	V	98.7	Very high	98.8	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-90.7	-0.1	-177.5	-51.4	0	0	0	0	113.7	A213 R214 R217 P218 I221 V240 C241 D242 A246	A213-V244 HydrophobicContact CB-CG1 4.16Å; R214-V244 HydrophobicContact CG-CG1 4.42Å; R217-V244 PolarHBondContact NH2-O 3.3Å; R217-V244 VanDerWaalsContact NH2-O 3.12Å; P218-V244 HydrophobicContact CG-CG2 4.04Å; I221-V244 HydrophobicContact CD1-CG2 4.35Å; V240-V244 WeakPolarHBondContact O-CG2 3.49Å; V240-V244 PolarHBondContact O-N 2.77Å; V240-V244 VanDerWaalsContact O-N 3.12Å; C241-V244 PolarHBondContact O-N 3.41Å; D242-V244 PolarHBondContact O-N 2.69Å; V244-A246 HydrophobicContact CG2-CB 3.8Å
245	K	98.4	Very high	98.8	Very high	156 Å²	156	31.3 Å²	31.3	68%	0.678	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	41.4	-176.7	-51.8	-175.8	-175.2	-62.1	0	113.3	R219 C241 D242	R219-K245 PolarHBondContact NH1-O 3.33Å; C241-K245 CarbonylContact O-C 3.58Å; C241-K245 WeakPolarHBondContact O-CA 3.46Å; C241-K245 PolarHBondContact O-N 2.73Å; D242-K245 PolarHBondContact O-N 2.81Å
246	A	98.8	Very high	98.8	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.033	14%	0.137	C	C	.	.			trans	-94.9	158.8	173.4	0	0	0	0	0	111.8	P218 R219 I221 C241 V244	P218-A246 HydrophobicContact CG-CB 4.49Å; P218-A246 WeakPolarHBondContact O-CB 3.49Å; R219-A246 CarbonylContact O-C 3.57Å; R219-A246 WeakPolarHBondContact O-CA 3.42Å; I221-A246 HydrophobicContact CD1-CB 4.44Å; I221-A246 HydrophobicContact CG1-CB 4.12Å; C241-A246 HydrophobicContact CB-CB 4.43Å; C241-A246 PolarHBondContact O-N 2.95Å; V244-A246 HydrophobicContact CG2-CB 3.8Å
247	H	98.9	Very high	98.8	Very high	23 Å²	23	26.5 Å²	26.5	11%	0.106	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	139.8	164.6	-63	-53.6	0	0	0	110.8	R219 L220 I221 D272 F311	R219-H247 PolarHBondContact O-N 3.04Å; L220-H247 WeakPolarHBondContact CA-O 3.34Å; L220-H247 HydrophobicContact CB-CB 4.36Å; L220-H247 HydrophobicContact CD1-CB 4.25Å; L220-H247 HydrophobicContact CG-CB 4.21Å; I221-H247 PolarHBondContact N-O 3Å; H247-D272 WeakPolarHBondContact CA-OD2 3.33Å; H247-F311 AromaticContact CE1-CE1 3.61Å; H247-F311 AromaticContact CE1-CZ 3.89Å; H247-F311 AromaticContact ND1-CE1 3.73Å; H247-F311 AromaticContact ND1-CZ 3.68Å
248	L	98.9	Very high	98.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	111.5	169.1	-179.6	56.2	0	0	0	110.1	A223 M237 R238 C241 H270 A271 D272 I273	A223-L248 HydrophobicContact CB-CD1 3.91Å; M237-L248 HydrophobicContact CB-CD1 3.98Å; M237-L248 HydrophobicContact CB-CD2 4.29Å; R238-L248 HydrophobicContact CB-CD2 3.95Å; C241-L248 HydrophobicContact CB-CB 4.28Å; L248-H270 HydrophobicContact CD2-CB 4.39Å; L248-A271 HydrophobicContact CD2-CB 4.43Å; L248-A271 HydrophobicContact CG-CB 4.23Å; L248-D272 PolarHBondContact N-OD2 3.42Å; L248-D272 PolarHBondContact O-N 2.83Å; L248-I273 PolarHBondContact O-N 2.88Å
249	L	98.9	Very high	98.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.4	170	171.5	60.3	0	0	0	109.6	V150 Y151 L220 I221 I222 A223 I273 T275	V150-L249 HydrophobicContact CG1-CD1 4.35Å; V150-L249 HydrophobicContact CG1-CD2 4.15Å; Y151-L249 HydrophobicContact CE1-CD2 3.66Å; L220-L249 HydrophobicContact CD1-CB 4.27Å; L220-L249 HydrophobicContact CD2-CB 3.89Å; L220-L249 HydrophobicContact CD2-CD2 4.2Å; L220-L249 HydrophobicContact CG-CB 4.22Å; I221-L249 PolarHBondContact O-N 3.49Å; I222-L249 CarbonylContact C-O 3.52Å; I222-L249 WeakPolarHBondContact CA-O 3.39Å; I222-L249 HydrophobicContact CG1-CD2 4.23Å; I222-L249 HydrophobicContact CG2-CD2 4.47Å; I222-L249 HydrophobicContact CG2-CG 4.49Å; A223-L249 PolarHBondContact N-O 2.74Å; L249-I273 WeakPolarHBondContact CA-O 3.36Å; L249-I273 HydrophobicContact CD1-CB 3.83Å; L249-I273 HydrophobicContact CD1-CG2 3.6Å; L249-T275 HydrophobicContact CD1-CG2 3.81Å
250	A	98.9	Very high	98.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.5	166.9	0	0	0	0	0	110.6	A223 Y234 M252 P267 A271 I273 V274 T275	A223-A250 WeakPolarHBondContact O-CA 3.37Å; Y234-A250 HydrophobicContact CE1-CB 4.2Å; A250-M252 PolarHBondContact O-N 2.78Å; A250-P267 HydrophobicContact CB-CB 3.54Å; A250-P267 HydrophobicContact CB-CG 4.29Å; A250-A271 HydrophobicContact CB-CB 3.85Å; A250-I273 PolarHBondContact N-O 3.03Å; A250-V274 HydrophobicContact CB-CG1 4.38Å; A250-V274 HydrophobicContact CB-CG2 4.27Å; A250-V274 CarbonylContact O-C 3.56Å; A250-V274 VanDerWaalsContact O-CA 3.27Å; A250-V274 WeakPolarHBondContact O-CA 3.44Å; A250-V274 WeakPolarHBondContact O-CG1 3.14Å; A250-T275 PolarHBondContact O-N 3.45Å
251	D	98.9	Very high	98.8	Very high	14 Å²	14	20.9 Å²	20.9	8%	0.075	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	96.3	169.4	-177.7	-11.5	0	0	0	108.6	N147 H174 I222 A223 G224 A253	N147-D251 PolarHBondContact ND2-OD2 3.4Å; H174-D251 IonicContact CD2-OD2 2.73Å; H174-D251 IonicContact CE1-OD2 2.77Å; H174-D251 IonicContact NE2-OD2 2.77Å; H174-D251 PolarHBondContact NE2-OD2 2.83Å; I222-D251 HydrophobicContact CG2-CB 4.31Å; A223-D251 PolarHBondContact O-N 2.85Å; G224-D251 WeakPolarHBondContact CA-O 3.22Å; D251-A253 VanDerWaalsContact C-N 3.33Å; D251-A253 WeakPolarHBondContact OD1-CB 3.28Å; D251-A253 PolarHBondContact OD1-N 3.19Å; D251-A253 VanDerWaalsContact OD1-N 3.16Å
252	M	98.9	Very high	98.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.128	C	C	.	.			trans	-93.3	16.3	-175.1	71.5	170.8	178.9	0	0	113.1	F127 A250 H254 I255 S256 V259 P267 F268 V274 T275 T276 F291	F127-M252 HydrophobicContact CD1-CE 4.03Å; F127-M252 HydrophobicContact CD2-CE 4.44Å; F127-M252 HydrophobicContact CE1-CE 3.44Å; F127-M252 VanDerWaalsContact CE1-CE 3.44Å; F127-M252 HydrophobicContact CE1-SD 4.05Å; F127-M252 HydrophobicContact CE2-CE 3.96Å; F127-M252 HydrophobicContact CZ-CE 3.43Å; F127-M252 VanDerWaalsContact CZ-CE 3.43Å; A250-M252 PolarHBondContact O-N 2.78Å; M252-H254 PolarHBondContact O-N 3.42Å; M252-I255 HydrophobicContact CB-CD1 4.39Å; M252-I255 HydrophobicContact CB-CG1 3.9Å; M252-I255 CarbonylContact O-C 3.07Å; M252-I255 PolarHBondContact O-N 3.38Å; M252-S256 PolarHBondContact O-N 3.32Å; M252-V259 HydrophobicContact SD-CB 4.38Å; M252-V259 HydrophobicContact SD-CG1 4.33Å; M252-V259 HydrophobicContact SD-CG2 4.38Å; M252-P267 HydrophobicContact CB-CG 4.28Å; M252-P267 HydrophobicContact SD-CG 4.06Å; M252-F268 HydrophobicContact CE-CE2 3.69Å; M252-F268 HydrophobicContact CE-CZ 3.72Å; M252-F268 HydrophobicContact SD-CE2 3.81Å; M252-F268 HydrophobicContact SD-CZ 4.33Å; M252-V274 HydrophobicContact CB-CG1 4.35Å; M252-V274 HydrophobicContact CE-CG1 3.77Å; M252-V274 HydrophobicContact CG-CG1 3.66Å; M252-V274 HydrophobicContact SD-CG1 3.64Å; M252-T275 PolarHBondContact N-O 3Å; M252-T276 HydrophobicContact CE-CG2 3.74Å; M252-F291 HydrophobicContact CE-CD2 4.47Å; M252-F291 HydrophobicContact CE-CE2 4.12Å
253	A	98.9	Very high	98.9	Very high	8 Å²	8	23.6 Å²	23.6	7%	0.066	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-41.7	-171.6	0	0	0	0	0	114.5	D251 T277 K280	D251-A253 VanDerWaalsContact C-N 3.33Å; D251-A253 WeakPolarHBondContact OD1-CB 3.28Å; D251-A253 PolarHBondContact OD1-N 3.19Å; D251-A253 VanDerWaalsContact OD1-N 3.16Å; A253-T277 HydrophobicContact CB-CG2 4.16Å; A253-T277 WeakPolarHBondContact CB-OG1 3.23Å; A253-T277 PolarHBondContact O-OG1 3.27Å; A253-K280 WeakPolarHBondContact O-CD 3.31Å
254	H	98.9	Very high	98.9	Very high	9 Å²	9	20 Å²	20	4%	0.042	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-24.3	-178.9	-95.4	-92	0	0	0	114.2	S226 M252 T281 H380	S226-H254 PolarHBondContact O-CE1 3.12Å; M252-H254 PolarHBondContact O-N 3.42Å; H254-T281 WeakPolarHBondContact O-CG2 3.38Å; H254-T281 PolarHBondContact O-OG1 3.17Å; H254-H380 AromaticContact ND1-CE1 3.86Å; H254-H380 AromaticContact ND1-NE2 3.58Å; H254-H380 PolarHBondContact O-CE1 3.42Å
255	I	98.9	Very high	98.9	Very high	19 Å²	19	23.6 Å²	23.6	10%	0.097	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	3.5	-169.1	64.2	171.5	0	0	0	113.2	M252 G257 L258 V259 I264	M252-I255 HydrophobicContact CB-CD1 4.39Å; M252-I255 HydrophobicContact CB-CG1 3.9Å; M252-I255 CarbonylContact O-C 3.07Å; M252-I255 PolarHBondContact O-N 3.38Å; I255-G257 VanDerWaalsContact C-N 3.29Å; I255-G257 PolarHBondContact O-N 3.43Å; I255-L258 HydrophobicContact CB-CD1 4.37Å; I255-L258 HydrophobicContact CG2-CD1 4.32Å; I255-L258 WeakPolarHBondContact O-CA 3.29Å; I255-L258 WeakPolarHBondContact O-CB 3.42Å; I255-L258 PolarHBondContact O-N 2.83Å; I255-V259 HydrophobicContact CD1-CG2 4.16Å; I255-V259 HydrophobicContact CG1-CG2 4.12Å; I255-V259 WeakPolarHBondContact O-CG2 3.37Å; I255-V259 PolarHBondContact O-N 2.89Å; I255-I264 HydrophobicContact CB-CD1 3.76Å; I255-I264 HydrophobicContact CD1-CD1 3.86Å; I255-I264 HydrophobicContact CG1-CD1 4.24Å; I255-I264 HydrophobicContact CG2-CD1 4.31Å
256	S	98.9	Very high	98.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-56.7	-38.2	-174	53.4	0	0	0	0	113.5	F127 M252 V259 A260 T276 T281	F127-S256 WeakPolarHBondContact CE1-O 3.32Å; M252-S256 PolarHBondContact O-N 3.32Å; S256-V259 PolarHBondContact O-N 2.78Å; S256-A260 WeakPolarHBondContact O-CB 3.04Å; S256-A260 PolarHBondContact O-N 3.28Å; S256-T276 WeakPolarHBondContact CB-OG1 3.41Å; S256-T276 PolarHBondContact OG-OG1 3.18Å; S256-T281 PolarHBondContact N-OG1 2.93Å
257	G	98.9	Very high	98.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64	-41	173	0	0	0	0	0	113	I255 V259 A260 A261 T281 F347	I255-G257 VanDerWaalsContact C-N 3.29Å; I255-G257 PolarHBondContact O-N 3.43Å; G257-V259 VanDerWaalsContact C-N 3.35Å; G257-V259 PolarHBondContact O-N 3.35Å; G257-A260 PolarHBondContact O-N 3.04Å; G257-A261 VanDerWaalsContact O-CB 3.28Å; G257-A261 WeakPolarHBondContact O-CB 3.27Å; G257-A261 PolarHBondContact O-N 3.15Å; G257-T281 PolarHBondContact N-OG1 2.92Å; G257-F347 WeakPolarHBondContact O-CE1 3.4Å
258	L	98.9	Very high	98.9	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-67.1	-37.4	178.4	-53.2	178.6	0	0	0	111.8	I255 K262 V263 I264 V354 L355 N379 H380	I255-L258 HydrophobicContact CB-CD1 4.37Å; I255-L258 HydrophobicContact CG2-CD1 4.32Å; I255-L258 WeakPolarHBondContact O-CA 3.29Å; I255-L258 WeakPolarHBondContact O-CB 3.42Å; I255-L258 PolarHBondContact O-N 2.83Å; L258-K262 PolarHBondContact O-N 3.39Å; L258-V263 HydrophobicContact CB-CG2 3.87Å; L258-V263 HydrophobicContact CD2-CG2 4.05Å; L258-V263 VanDerWaalsContact O-CG2 3.29Å; L258-V263 WeakPolarHBondContact O-CG2 3.29Å; L258-V263 PolarHBondContact O-N 2.89Å; L258-V263 VanDerWaalsContact O-N 3.1Å; L258-I264 HydrophobicContact CB-CD1 3.61Å; L258-I264 HydrophobicContact CB-CG1 3.75Å; L258-I264 HydrophobicContact CB-CG2 4.38Å; L258-I264 HydrophobicContact CD1-CD1 4.14Å; L258-V354 HydrophobicContact CD2-CG1 4.29Å; L258-L355 HydrophobicContact CD1-CD2 4.06Å; L258-L355 HydrophobicContact CD2-CD2 4.25Å; L258-L355 HydrophobicContact CD2-CG 4.45Å; L258-N379 HydrophobicContact CD1-CB 4.24Å; L258-H380 HydrophobicContact CD1-CB 4.19Å
259	V	98.9	Very high	98.9	Very high	7 Å²	7	24 Å²	24	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-66.5	-49.8	174.6	176.2	0	0	0	0	110.4	F127 M252 I255 S256 G257 A261 K262 I264 F268	F127-V259 HydrophobicContact CD1-CB 4.48Å; F127-V259 HydrophobicContact CD1-CG1 3.9Å; F127-V259 HydrophobicContact CE1-CB 4.26Å; F127-V259 HydrophobicContact CE1-CG1 4.15Å; M252-V259 HydrophobicContact SD-CB 4.38Å; M252-V259 HydrophobicContact SD-CG1 4.33Å; M252-V259 HydrophobicContact SD-CG2 4.38Å; I255-V259 HydrophobicContact CD1-CG2 4.16Å; I255-V259 HydrophobicContact CG1-CG2 4.12Å; I255-V259 WeakPolarHBondContact O-CG2 3.37Å; I255-V259 PolarHBondContact O-N 2.89Å; S256-V259 PolarHBondContact O-N 2.78Å; G257-V259 VanDerWaalsContact C-N 3.35Å; G257-V259 PolarHBondContact O-N 3.35Å; V259-A261 VanDerWaalsContact C-N 3.26Å; V259-A261 PolarHBondContact O-N 2.7Å; V259-K262 WeakPolarHBondContact O-CA 3.39Å; V259-K262 PolarHBondContact O-N 3.26Å; V259-I264 HydrophobicContact CG2-CD1 3.94Å; V259-I264 HydrophobicContact CG2-CG1 4.07Å; V259-F268 HydrophobicContact CG1-CD2 4.44Å; V259-F268 HydrophobicContact CG1-CE2 4.44Å
260	A	98.9	Very high	98.9	Very high	9 Å²	9	27 Å²	27	7%	0.074	14%	0.139	C	C	.	.	H	α-helix	trans	-58.3	-40.8	178.5	0	0	0	0	0	111.6	A126 F127 S256 G257 K262 L282 A342	A126-A260 WeakPolarHBondContact O-CA 3.31Å; F127-A260 HydrophobicContact CD1-CB 4.14Å; F127-A260 HydrophobicContact CE1-CB 3.75Å; F127-A260 HydrophobicContact CZ-CB 4.18Å; S256-A260 WeakPolarHBondContact O-CB 3.04Å; S256-A260 PolarHBondContact O-N 3.28Å; G257-A260 PolarHBondContact O-N 3.04Å; A260-K262 PolarHBondContact O-N 2.97Å; A260-L282 HydrophobicContact CB-CD1 4.14Å; A260-A342 HydrophobicContact CB-CB 4.47Å
261	A	98.9	Very high	98.9	Very high	5 Å²	5	27 Å²	27	4%	0.041	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-6.9	175.8	0	0	0	0	0	114.4	G257 V259 V263 F347 R348 S351	G257-A261 VanDerWaalsContact O-CB 3.28Å; G257-A261 WeakPolarHBondContact O-CB 3.27Å; G257-A261 PolarHBondContact O-N 3.15Å; V259-A261 VanDerWaalsContact C-N 3.26Å; V259-A261 PolarHBondContact O-N 2.7Å; A261-V263 VanDerWaalsContact C-N 3.29Å; A261-V263 HydrophobicContact CB-CG1 4.09Å; A261-V263 HydrophobicContact CB-CG2 4.28Å; A261-V263 PolarHBondContact O-N 3.05Å; A261-F347 HydrophobicContact CB-CD1 4.34Å; A261-R348 HydrophobicContact CB-CB 4.46Å; A261-R348 PolarHBondContact O-NH1 3.27Å; A261-S351 VanDerWaalsContact CB-OG 3.28Å; A261-S351 WeakPolarHBondContact CB-OG 3.43Å
262	K	98.8	Very high	98.8	Very high	116 Å²	116	26.3 Å²	26.3	50%	0.504	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	40.3	-176.7	-54.4	167.3	-179.3	-79	0	112.6	D128 L258 V259 A260 R348	D128-K262 VanDerWaalsContact CG-NZ 3.26Å; D128-K262 IonicContact OD2-NZ 2.96Å; D128-K262 PolarHBondContact OD2-NZ 3.06Å; L258-K262 PolarHBondContact O-N 3.39Å; V259-K262 WeakPolarHBondContact O-CA 3.39Å; V259-K262 PolarHBondContact O-N 3.26Å; A260-K262 PolarHBondContact O-N 2.97Å; K262-R348 PolarHBondContact O-NH1 2.95Å
263	V	98.8	Very high	98.9	Very high	27 Å²	27	26.3 Å²	26.3	16%	0.164	14%	0.135	C	C	.	.	S	Bend	trans	-103.2	-9.1	177.4	-59.3	0	0	0	0	112.9	L258 A261 R348 L352 L355	L258-V263 HydrophobicContact CB-CG2 3.87Å; L258-V263 HydrophobicContact CD2-CG2 4.05Å; L258-V263 VanDerWaalsContact O-CG2 3.29Å; L258-V263 WeakPolarHBondContact O-CG2 3.29Å; L258-V263 PolarHBondContact O-N 2.89Å; L258-V263 VanDerWaalsContact O-N 3.1Å; A261-V263 VanDerWaalsContact C-N 3.29Å; A261-V263 HydrophobicContact CB-CG1 4.09Å; A261-V263 HydrophobicContact CB-CG2 4.28Å; A261-V263 PolarHBondContact O-N 3.05Å; V263-R348 HydrophobicContact CG1-CG 4.41Å; V263-L352 HydrophobicContact CB-CD2 4.14Å; V263-L352 HydrophobicContact CG1-CD2 3.51Å; V263-L352 HydrophobicContact CG1-CG 3.68Å; V263-L355 HydrophobicContact CB-CD1 3.88Å; V263-L355 HydrophobicContact CG2-CD1 3.77Å; V263-L355 HydrophobicContact CG2-CG 4.45Å
264	I	98.9	Very high	98.9	Very high	17 Å²	17	25.9 Å²	25.9	9%	0.087	13%	0.132	C	C	.	.	S	Bend	trans	-136.6	164.7	171.2	63.9	170.1	0	0	0	110.1	L231 I255 L258 V259 L355	L231-I264 HydrophobicContact CD1-CB 4.49Å; L231-I264 HydrophobicContact CD2-CB 4.02Å; L231-I264 HydrophobicContact CD2-CD1 4.05Å; L231-I264 HydrophobicContact CD2-CG2 4.03Å; I255-I264 HydrophobicContact CB-CD1 3.76Å; I255-I264 HydrophobicContact CD1-CD1 3.86Å; I255-I264 HydrophobicContact CG1-CD1 4.24Å; I255-I264 HydrophobicContact CG2-CD1 4.31Å; L258-I264 HydrophobicContact CB-CD1 3.61Å; L258-I264 HydrophobicContact CB-CG1 3.75Å; L258-I264 HydrophobicContact CB-CG2 4.38Å; L258-I264 HydrophobicContact CD1-CD1 4.14Å; V259-I264 HydrophobicContact CG2-CD1 3.94Å; V259-I264 HydrophobicContact CG2-CG1 4.07Å; I264-L355 HydrophobicContact CG2-CD1 4.25Å
265	P	98.8	Very high	98.9	Very high	78 Å²	78	25.5 Å²	25.5	51%	0.506	13%	0.13	S	C	.	.			trans	-58	141.8	175.8	-24.1	35.7	0	0	0	112.9	L231	L231-P265 HydrophobicContact CD1-CG 4.13Å
266	S	98.9	Very high	98.9	Very high	27 Å²	27	24.7 Å²	24.7	19%	0.189	13%	0.126	C	C	.	.			trans	-90.4	130.4	-177.5	174.1	0	0	0	0	112	F268	S266-F268 PolarHBondContact O-N 3.03Å; S266-F268 WeakPolarHBondContact OG-CD2 3.33Å; S266-F268 PolarHBondContact OG-N 2.87Å
267	P	98.8	Very high	98.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-66.7	-23.2	175	26.1	-33.2	0	0	0	113.3	Y234 A250 M252 K269 H270 A271 V274	Y234-P267 HydrophobicContact CD1-CB 4.16Å; Y234-P267 HydrophobicContact CD2-CB 4.27Å; Y234-P267 HydrophobicContact CE1-CB 3.81Å; Y234-P267 HydrophobicContact CE2-CB 3.92Å; Y234-P267 HydrophobicContact CG-CB 4.39Å; A250-P267 HydrophobicContact CB-CB 3.54Å; A250-P267 HydrophobicContact CB-CG 4.29Å; M252-P267 HydrophobicContact CB-CG 4.28Å; M252-P267 HydrophobicContact SD-CG 4.06Å; P267-K269 PolarHBondContact O-N 3.22Å; P267-K269 VanDerWaalsContact O-N 3.07Å; P267-H270 PolarHBondContact O-N 3.01Å; P267-A271 WeakPolarHBondContact O-CB 3.36Å; P267-A271 PolarHBondContact O-N 3.22Å; P267-V274 HydrophobicContact CG-CG1 4.28Å
268	F	98.8	Very high	98.9	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.026	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-62.2	-17.3	-177.9	-68.4	-85.7	0	0	0	113.8	F127 L129 W134 M252 V259 S266 H270 V274 F291 R293	F127-F268 HydrophobicContact CB-CD2 4.37Å; F127-F268 HydrophobicContact CB-CE2 3.82Å; F127-F268 HydrophobicContact CB-CZ 4.07Å; F127-F268 AromaticContact CD1-CE2 3.65Å; F127-F268 HydrophobicContact CD1-CE2 3.65Å; F127-F268 HydrophobicContact CD1-CZ 4.29Å; F127-F268 HydrophobicContact CD2-CZ 4.38Å; F127-F268 HydrophobicContact CE1-CE2 4.37Å; F127-F268 AromaticContact CG-CE2 3.74Å; F127-F268 HydrophobicContact CG-CE2 3.74Å; F127-F268 AromaticContact CG-CZ 3.99Å; F127-F268 HydrophobicContact CG-CZ 3.99Å; L129-F268 HydrophobicContact CD1-CD1 3.63Å; L129-F268 HydrophobicContact CD1-CE1 3.39Å; L129-F268 HydrophobicContact CD1-CG 4.34Å; L129-F268 HydrophobicContact CD1-CZ 3.92Å; L129-F268 HydrophobicContact CD2-CB 3.77Å; L129-F268 HydrophobicContact CD2-CD1 3.61Å; L129-F268 HydrophobicContact CD2-CD2 4.25Å; L129-F268 HydrophobicContact CD2-CE1 4.21Å; L129-F268 HydrophobicContact CD2-CG 3.63Å; L129-F268 HydrophobicContact CG-CD1 4.27Å; L129-F268 HydrophobicContact CG-CE1 4.41Å; W134-F268 HydrophobicContact CD2-CD1 4.09Å; W134-F268 AromaticContact CE2-CD1 3.93Å; W134-F268 HydrophobicContact CE3-CD1 4.03Å; W134-F268 HydrophobicContact CE3-CE1 4.24Å; W134-F268 AromaticContact CH2-CD1 3.73Å; W134-F268 HydrophobicContact CH2-CD1 3.73Å; W134-F268 HydrophobicContact CH2-CE1 4.43Å; W134-F268 HydrophobicContact CZ2-CB 4.11Å; W134-F268 AromaticContact CZ2-CD1 3.76Å; W134-F268 HydrophobicContact CZ2-CD1 3.76Å; W134-F268 HydrophobicContact CZ2-CG 4.45Å; W134-F268 WeakPolarHBondContact CZ2-O 3.41Å; W134-F268 AromaticContact CZ3-CD1 3.86Å; W134-F268 HydrophobicContact CZ3-CD1 3.86Å; W134-F268 HydrophobicContact CZ3-CE1 4.14Å; M252-F268 HydrophobicContact CE-CE2 3.69Å; M252-F268 HydrophobicContact CE-CZ 3.72Å; M252-F268 HydrophobicContact SD-CE2 3.81Å; M252-F268 HydrophobicContact SD-CZ 4.33Å; V259-F268 HydrophobicContact CG1-CD2 4.44Å; V259-F268 HydrophobicContact CG1-CE2 4.44Å; S266-F268 PolarHBondContact O-N 3.03Å; S266-F268 WeakPolarHBondContact OG-CD2 3.33Å; S266-F268 PolarHBondContact OG-N 2.87Å; F268-H270 VanDerWaalsContact C-N 3.26Å; F268-H270 PolarHBondContact O-N 3.07Å; F268-V274 HydrophobicContact CD1-CB 4.3Å; F268-V274 HydrophobicContact CD1-CG2 3.66Å; F268-V274 HydrophobicContact CE1-CB 3.73Å; F268-V274 HydrophobicContact CE1-CG1 4.19Å; F268-V274 HydrophobicContact CE1-CG2 3.62Å; F268-V274 HydrophobicContact CE2-CG1 4.17Å; F268-V274 HydrophobicContact CE2-CG2 4.5Å; F268-V274 HydrophobicContact CG-CG2 4.13Å; F268-V274 HydrophobicContact CZ-CB 3.9Å; F268-V274 HydrophobicContact CZ-CG1 3.83Å; F268-V274 HydrophobicContact CZ-CG2 4.08Å; F268-F291 HydrophobicContact CE1-CB 3.6Å; F268-F291 AromaticContact CE1-CD1 3.92Å; F268-F291 HydrophobicContact CE1-CD1 3.92Å; F268-F291 HydrophobicContact CE1-CD2 4.07Å; F268-F291 AromaticContact CE1-CG 3.61Å; F268-F291 HydrophobicContact CE1-CG 3.61Å; F268-F291 HydrophobicContact CZ-CB 4.25Å; F268-F291 HydrophobicContact CZ-CD1 4.13Å; F268-F291 AromaticContact CZ-CD2 3.83Å; F268-F291 HydrophobicContact CZ-CD2 3.83Å; F268-F291 HydrophobicContact CZ-CE1 4.44Å; F268-F291 HydrophobicContact CZ-CE2 4.18Å; F268-F291 AromaticContact CZ-CG 3.81Å; F268-F291 HydrophobicContact CZ-CG 3.81Å; F268-F291 HydrophobicContact CZ-CZ 4.47Å; F268-R293 PolarHBondContact O-NH2 2.78Å
269	K	98.5	Very high	98.9	Very high	158 Å²	158	26 Å²	26	69%	0.687	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	-67.4	-27.8	174.4	-67.3	-173	177.3	-174.8	0	112.9	P267	P267-K269 PolarHBondContact O-N 3.22Å; P267-K269 VanDerWaalsContact O-N 3.07Å
270	H	98.8	Very high	98.8	Very high	64 Å²	64	26.9 Å²	26.9	30%	0.296	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-33.8	-170.5	-57.7	-73.7	0	0	0	113.4	R238 L248 P267 F268	R238-H270 HydrophobicContact CB-CB 4.13Å; R238-H270 PolarHBondContact NE-O 3.49Å; R238-H270 PolarHBondContact NH2-O 3.33Å; L248-H270 HydrophobicContact CD2-CB 4.39Å; P267-H270 PolarHBondContact O-N 3.01Å; F268-H270 VanDerWaalsContact C-N 3.26Å; F268-H270 PolarHBondContact O-N 3.07Å
271	A	98.8	Very high	98.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.			trans	-71.9	151.2	-174.5	0	0	0	0	0	113.4	W134 L248 A250 P267 V274	W134-A271 WeakPolarHBondContact CH2-O 3.42Å; L248-A271 HydrophobicContact CD2-CB 4.43Å; L248-A271 HydrophobicContact CG-CB 4.23Å; A250-A271 HydrophobicContact CB-CB 3.85Å; P267-A271 WeakPolarHBondContact O-CB 3.36Å; P267-A271 PolarHBondContact O-N 3.22Å; A271-V274 HydrophobicContact CB-CG2 3.93Å
272	D	98.9	Very high	98.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-81.1	-42.7	170.6	-65.1	-48.7	0	0	0	110.7	R238 H247 L248 R293 F311	R238-D272 IonicContact CZ-OD1 2.76Å; R238-D272 IonicContact CZ-OD2 3.24Å; R238-D272 VanDerWaalsContact NH1-CG 3.32Å; R238-D272 IonicContact NH1-OD1 3.76Å; R238-D272 PolarHBondContact NH1-OD1 3.23Å; R238-D272 IonicContact NH1-OD2 3.66Å; R238-D272 PolarHBondContact NH1-OD2 2.95Å; R238-D272 IonicContact NH2-OD1 3.36Å; R238-D272 PolarHBondContact NH2-OD1 2.85Å; H247-D272 WeakPolarHBondContact CA-OD2 3.33Å; L248-D272 PolarHBondContact N-OD2 3.42Å; L248-D272 PolarHBondContact O-N 2.83Å; D272-R293 PolarHBondContact O-N 3.33Å; D272-F311 HydrophobicContact CB-CE2 3.76Å; D272-F311 HydrophobicContact CB-CZ 3.89Å
273	I	98.9	Very high	98.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143	-179.2	-51	-57.9	0	0	0	108.3	V150 L154 L248 L249 A250 I290 F291 F311	V150-I273 HydrophobicContact CG1-CG2 4.02Å; V150-I273 HydrophobicContact CG2-CG2 3.79Å; L154-I273 HydrophobicContact CD1-CD1 4.3Å; L154-I273 HydrophobicContact CD1-CG1 3.83Å; L248-I273 PolarHBondContact O-N 2.88Å; L249-I273 WeakPolarHBondContact CA-O 3.36Å; L249-I273 HydrophobicContact CD1-CB 3.83Å; L249-I273 HydrophobicContact CD1-CG2 3.6Å; A250-I273 PolarHBondContact N-O 3.03Å; I273-I290 HydrophobicContact CG2-CG2 3.95Å; I273-F291 WeakPolarHBondContact CA-O 3.18Å; I273-F291 WeakPolarHBondContact CG2-O 3.28Å; I273-F311 HydrophobicContact CD1-CB 3.94Å; I273-F311 HydrophobicContact CD1-CD1 4.01Å; I273-F311 HydrophobicContact CD1-CD2 3.65Å; I273-F311 HydrophobicContact CD1-CE1 4.41Å; I273-F311 HydrophobicContact CD1-CE2 4.06Å; I273-F311 HydrophobicContact CD1-CG 3.62Å; I273-F311 HydrophobicContact CD1-CZ 4.44Å
274	V	99	Very high	98.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.3	171.6	-173.9	0	0	0	0	109.3	W134 A250 M252 P267 F268 A271 F291	W134-V274 HydrophobicContact CH2-CG2 4.09Å; W134-V274 HydrophobicContact CZ3-CG2 4.29Å; A250-V274 HydrophobicContact CB-CG1 4.38Å; A250-V274 HydrophobicContact CB-CG2 4.27Å; A250-V274 CarbonylContact O-C 3.56Å; A250-V274 VanDerWaalsContact O-CA 3.27Å; A250-V274 WeakPolarHBondContact O-CA 3.44Å; A250-V274 WeakPolarHBondContact O-CG1 3.14Å; M252-V274 HydrophobicContact CB-CG1 4.35Å; M252-V274 HydrophobicContact CE-CG1 3.77Å; M252-V274 HydrophobicContact CG-CG1 3.66Å; M252-V274 HydrophobicContact SD-CG1 3.64Å; P267-V274 HydrophobicContact CG-CG1 4.28Å; F268-V274 HydrophobicContact CD1-CB 4.3Å; F268-V274 HydrophobicContact CD1-CG2 3.66Å; F268-V274 HydrophobicContact CE1-CB 3.73Å; F268-V274 HydrophobicContact CE1-CG1 4.19Å; F268-V274 HydrophobicContact CE1-CG2 3.62Å; F268-V274 HydrophobicContact CE2-CG1 4.17Å; F268-V274 HydrophobicContact CE2-CG2 4.5Å; F268-V274 HydrophobicContact CG-CG2 4.13Å; F268-V274 HydrophobicContact CZ-CB 3.9Å; F268-V274 HydrophobicContact CZ-CG1 3.83Å; F268-V274 HydrophobicContact CZ-CG2 4.08Å; A271-V274 HydrophobicContact CB-CG2 3.93Å; V274-F291 HydrophobicContact CB-CB 4.19Å; V274-F291 PolarHBondContact N-O 2.85Å; V274-F291 PolarHBondContact O-N 2.83Å
275	T	99	Very high	98.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	150.6	171.5	51.1	0	0	0	0	110.4	A146 N147 V150 L249 A250 M252 L289 I290	A146-T275 HydrophobicContact CB-CG2 4.44Å; N147-T275 VanDerWaalsContact OD1-CB 3.3Å; N147-T275 WeakPolarHBondContact OD1-CB 3.35Å; N147-T275 WeakPolarHBondContact OD1-CG2 3.32Å; N147-T275 PolarHBondContact OD1-OG1 3.47Å; V150-T275 HydrophobicContact CG2-CG2 3.57Å; L249-T275 HydrophobicContact CD1-CG2 3.81Å; A250-T275 PolarHBondContact O-N 3.45Å; M252-T275 PolarHBondContact N-O 3Å; T275-L289 WeakPolarHBondContact CA-O 3.46Å; T275-I290 HydrophobicContact CG2-CG1 4.15Å; T275-I290 HydrophobicContact CG2-CG2 4.32Å
276	T	98.9	Very high	98.8	Very high	1 Å²	1	26 Å²	26	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	155.8	173.7	-175.2	0	0	0	0	111.4	M252 S256 G288 L289 F291	M252-T276 HydrophobicContact CE-CG2 3.74Å; S256-T276 WeakPolarHBondContact CB-OG1 3.41Å; S256-T276 PolarHBondContact OG-OG1 3.18Å; T276-G288 CarbonylContact O-C 3.57Å; T276-G288 VanDerWaalsContact O-CA 3.27Å; T276-G288 WeakPolarHBondContact O-CA 3.43Å; T276-L289 HydrophobicContact CG2-CB 3.83Å; T276-L289 HydrophobicContact CG2-CD1 4.15Å; T276-L289 HydrophobicContact CG2-CG 4.27Å; T276-L289 PolarHBondContact N-O 3.19Å; T276-L289 VanDerWaalsContact N-O 3.11Å; T276-L289 PolarHBondContact O-N 3.31Å; T276-F291 HydrophobicContact CG2-CE2 4.1Å
277	T	98.9	Very high	98.8	Very high	4 Å²	4	25 Å²	25	3%	0.025	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	155.7	156.1	50.8	0	0	0	0	111.5	A253 H279 K280	A253-T277 HydrophobicContact CB-CG2 4.16Å; A253-T277 WeakPolarHBondContact CB-OG1 3.23Å; A253-T277 PolarHBondContact O-OG1 3.27Å; T277-H279 WeakPolarHBondContact CB-CE1 3.47Å; T277-H279 WeakPolarHBondContact CG2-CE1 3.41Å; T277-K280 VanDerWaalsContact CG2-NZ 3.34Å; T277-K280 PolarHBondContact OG1-NZ 2.78Å
278	T	98.9	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-94.9	-12.3	175.8	53.4	0	0	0	0	113.8	G284 A285 S287 L289 V335	T278-G284 VanDerWaalsContact O-CA 3.22Å; T278-G284 WeakPolarHBondContact O-CA 3.46Å; T278-G284 PolarHBondContact O-N 2.92Å; T278-A285 PolarHBondContact OG1-O 3.2Å; T278-S287 PolarHBondContact N-O 3.26Å; T278-S287 VanDerWaalsContact N-O 3.1Å; T278-S287 WeakPolarHBondContact OG1-CA 3.47Å; T278-S287 WeakPolarHBondContact OG1-CB 3.49Å; T278-S287 PolarHBondContact OG1-N 2.89Å; T278-S287 PolarHBondContact OG1-O 3.01Å; T278-L289 HydrophobicContact CG2-CD1 4Å; T278-L289 HydrophobicContact CG2-CD2 4.11Å; T278-L289 HydrophobicContact CG2-CG 3.66Å; T278-V335 HydrophobicContact CG2-CB 4.39Å; T278-V335 HydrophobicContact CG2-CG1 3.68Å; T278-V335 HydrophobicContact CG2-CG2 3.7Å
279	H	98.8	Very high	98.8	Very high	26 Å²	26	24.7 Å²	24.7	12%	0.12	11%	0.107	C	C	.	.	S	Bend	trans	-86.9	-154.5	167.8	58.1	-84.8	0	0	0	110.2	T277 T281 L282 G284	T277-H279 WeakPolarHBondContact CB-CE1 3.47Å; T277-H279 WeakPolarHBondContact CG2-CE1 3.41Å; H279-T281 PolarHBondContact O-N 2.8Å; H279-L282 PolarHBondContact O-N 2.9Å; H279-G284 WeakPolarHBondContact CA-O 3.49Å; H279-G284 WeakPolarHBondContact CB-O 3.23Å
280	K	98.8	Very high	98.9	Very high	25 Å²	25	17.2 Å²	17.2	11%	0.109	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	60.2	-130.4	-174.5	-47.2	-165.1	176.1	59.7	0	111.1	S76 N78 A253 T277 L282 R283	S76-K280 WeakPolarHBondContact O-CG 3.29Å; N78-K280 VanDerWaalsContact CB-O 3.26Å; N78-K280 WeakPolarHBondContact CB-O 3.3Å; N78-K280 PolarHBondContact ND2-O 2.89Å; A253-K280 WeakPolarHBondContact O-CD 3.31Å; T277-K280 VanDerWaalsContact CG2-NZ 3.34Å; T277-K280 PolarHBondContact OG1-NZ 2.78Å; K280-L282 VanDerWaalsContact C-N 3.27Å; K280-L282 PolarHBondContact O-N 2.96Å; K280-R283 PolarHBondContact O-N 2.81Å; K280-R283 VanDerWaalsContact O-N 3.1Å
281	T	98.9	Very high	98.9	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.018	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-67.2	-22.9	-177.5	47.9	0	0	0	0	113.6	H254 S256 G257 H279 R283 F347 H380 P429	H254-T281 WeakPolarHBondContact O-CG2 3.38Å; H254-T281 PolarHBondContact O-OG1 3.17Å; S256-T281 PolarHBondContact N-OG1 2.93Å; G257-T281 PolarHBondContact N-OG1 2.92Å; H279-T281 PolarHBondContact O-N 2.8Å; T281-R283 VanDerWaalsContact C-N 3.26Å; T281-R283 PolarHBondContact O-N 2.82Å; T281-F347 WeakPolarHBondContact O-CZ 3.12Å; T281-H380 HydrophobicContact CG2-CB 4.38Å; T281-P429 HydrophobicContact CG2-CB 4.37Å; T281-P429 HydrophobicContact CG2-CG 3.77Å
282	L	98.9	Very high	98.9	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.016	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-76.9	-13.1	174.3	-159.5	67.9	0	0	0	113.3	F127 A260 H279 K280 G284 L339 A342	F127-L282 HydrophobicContact CZ-CD1 4.33Å; A260-L282 HydrophobicContact CB-CD1 4.14Å; H279-L282 PolarHBondContact O-N 2.9Å; K280-L282 VanDerWaalsContact C-N 3.27Å; K280-L282 PolarHBondContact O-N 2.96Å; L282-G284 PolarHBondContact O-N 2.99Å; L282-G284 VanDerWaalsContact O-N 3.14Å; L282-L339 HydrophobicContact CD2-CD2 4.14Å; L282-A342 HydrophobicContact CD1-CB 4.02Å
283	R	98.8	Very high	98.9	Very high	28 Å²	28	16.7 Å²	16.7	11%	0.106	7%	0.07	C	C	.	.			trans	59.4	24.3	169	-155.6	171.2	71.2	-175.8	2.3	115.9	N78 F79 K280 T281 F347 S433	N78-R283 HydrophobicContact CB-CG 4.27Å; N78-R283 WeakPolarHBondContact OD1-CD 3.24Å; F79-R283 WeakPolarHBondContact O-CD 3.35Å; F79-R283 WeakPolarHBondContact O-CG 3.45Å; K280-R283 PolarHBondContact O-N 2.81Å; K280-R283 VanDerWaalsContact O-N 3.1Å; T281-R283 VanDerWaalsContact C-N 3.26Å; T281-R283 PolarHBondContact O-N 2.82Å; R283-F347 HydrophobicContact CB-CE2 4.48Å; R283-S433 WeakPolarHBondContact CD-OG 3.49Å; R283-S433 PolarHBondContact NH1-OG 2.91Å; R283-S433 VanDerWaalsContact NH1-OG 3.16Å
284	G	98.7	Very high	98.8	Very high	7 Å²	7	19.4 Å²	19.4	7%	0.072	8%	0.082	C	C	.	.			trans	-94.8	-175	171.6	0	0	0	0	0	114.2	T278 H279 L282 A338	T278-G284 VanDerWaalsContact O-CA 3.22Å; T278-G284 WeakPolarHBondContact O-CA 3.46Å; T278-G284 PolarHBondContact O-N 2.92Å; H279-G284 WeakPolarHBondContact CA-O 3.49Å; H279-G284 WeakPolarHBondContact CB-O 3.23Å; L282-G284 PolarHBondContact O-N 2.99Å; L282-G284 VanDerWaalsContact O-N 3.14Å; G284-A338 VanDerWaalsContact CA-CB 3.47Å
285	A	98.8	Very high	98.7	Very high	6 Å²	6	21.2 Å²	21.2	5%	0.05	10%	0.101	C	C	.	.			trans	-64.6	165.4	172.9	0	0	0	0	0	112	L88 T278 S287 A334	L88-A285 HydrophobicContact CD1-CB 4.29Å; L88-A285 HydrophobicContact CD2-CB 4.37Å; T278-A285 PolarHBondContact OG1-O 3.2Å; A285-S287 PolarHBondContact O-N 2.65Å; A285-A334 HydrophobicContact CB-CB 3.72Å
286	R	98.9	Very high	98.6	Very high	188 Å²	188	24.3 Å²	24.3	71%	0.709	12%	0.119	S	C	*	.	S	Bend	trans	-71.4	109.8	178.1	-66.8	178.8	-176.1	-94.6	1.1	110.6
287	S	98.9	Very high	98.3	Very high	5 Å²	5	29 Å²	29	4%	0.035	14%	0.14	C	C	.	.			trans	-160.7	-179.5	173.1	177.8	0	0	0	0	109	P140 Y141 T278 A285	P140-S287 PolarHBondContact O-OG 2.76Å; P140-S287 VanDerWaalsContact O-OG 3.11Å; Y141-S287 WeakPolarHBondContact O-CA 3.47Å; T278-S287 PolarHBondContact N-O 3.26Å; T278-S287 VanDerWaalsContact N-O 3.1Å; T278-S287 WeakPolarHBondContact OG1-CA 3.47Å; T278-S287 WeakPolarHBondContact OG1-CB 3.49Å; T278-S287 PolarHBondContact OG1-N 2.89Å; T278-S287 PolarHBondContact OG1-O 3.01Å; A285-S287 PolarHBondContact O-N 2.65Å
288	G	98.9	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.5	175	0	0	0	0	0	112.3	P140 T276	P140-G288 WeakPolarHBondContact CD-O 3.49Å; P140-G288 PolarHBondContact O-N 3.05Å; T276-G288 CarbonylContact O-C 3.57Å; T276-G288 VanDerWaalsContact O-CA 3.27Å; T276-G288 WeakPolarHBondContact O-CA 3.43Å
289	L	99	Very high	97.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147	174.9	-56.2	177.7	0	0	0	109.8	A123 V136 N137 V138 T275 T276 T278 F291 V335	A123-L289 HydrophobicContact CB-CD1 4.45Å; V136-L289 HydrophobicContact CG2-CB 4.43Å; N137-L289 WeakPolarHBondContact O-CA 3.5Å; V138-L289 HydrophobicContact CB-CD2 3.88Å; V138-L289 HydrophobicContact CG1-CD2 3.82Å; T275-L289 WeakPolarHBondContact CA-O 3.46Å; T276-L289 HydrophobicContact CG2-CB 3.83Å; T276-L289 HydrophobicContact CG2-CD1 4.15Å; T276-L289 HydrophobicContact CG2-CG 4.27Å; T276-L289 PolarHBondContact N-O 3.19Å; T276-L289 VanDerWaalsContact N-O 3.11Å; T276-L289 PolarHBondContact O-N 3.31Å; T278-L289 HydrophobicContact CG2-CD1 4Å; T278-L289 HydrophobicContact CG2-CD2 4.11Å; T278-L289 HydrophobicContact CG2-CG 3.66Å; L289-F291 HydrophobicContact CB-CD2 4.36Å; L289-F291 HydrophobicContact CB-CE2 3.81Å; L289-F291 HydrophobicContact CB-CZ 4.45Å; L289-F291 HydrophobicContact CD1-CE2 3.9Å; L289-F291 HydrophobicContact CD1-CZ 3.9Å; L289-V335 HydrophobicContact CD2-CG1 4.3Å
290	I	99	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	110.5	170.3	-53.7	162.1	0	0	0	108.4	V136 N137 P140 A146 A149 V150 I273 T275 Y292 I315 V319	V136-I290 CarbonylContact C-O 3.52Å; V136-I290 WeakPolarHBondContact CA-O 3.47Å; N137-I290 HydrophobicContact CB-CB 4.39Å; N137-I290 PolarHBondContact N-O 3.39Å; N137-I290 PolarHBondContact O-N 2.77Å; P140-I290 HydrophobicContact CG-CD1 3.67Å; P140-I290 HydrophobicContact CG-CG1 3.84Å; A146-I290 HydrophobicContact CB-CD1 4.33Å; A146-I290 HydrophobicContact CB-CG1 3.84Å; A149-I290 HydrophobicContact CB-CD1 3.92Å; V150-I290 HydrophobicContact CG2-CD1 4.29Å; V150-I290 HydrophobicContact CG2-CG1 4.24Å; V150-I290 HydrophobicContact CG2-CG2 3.59Å; I273-I290 HydrophobicContact CG2-CG2 3.95Å; T275-I290 HydrophobicContact CG2-CG1 4.15Å; T275-I290 HydrophobicContact CG2-CG2 4.32Å; I290-Y292 HydrophobicContact CG2-CD1 4.5Å; I290-I315 HydrophobicContact CB-CG2 4.2Å; I290-I315 HydrophobicContact CD1-CG2 4.09Å; I290-I315 HydrophobicContact CG2-CD1 4.3Å; I290-I315 HydrophobicContact CG2-CG2 3.72Å; I290-V319 HydrophobicContact CD1-CG2 3.73Å
291	F	99	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	143.7	170.1	-59.4	-97.6	0	0	0	110.1	A123 L124 F127 L129 W134 G135 V136 M252 F268 I273 V274 T276 L289	A123-F291 HydrophobicContact CB-CE1 3.96Å; A123-F291 HydrophobicContact CB-CZ 3.96Å; L124-F291 HydrophobicContact CD2-CD1 4.15Å; L124-F291 HydrophobicContact CD2-CE1 4.29Å; F127-F291 AromaticContact CD2-CE1 3.92Å; F127-F291 HydrophobicContact CD2-CE1 3.92Å; F127-F291 HydrophobicContact CD2-CE2 4.11Å; F127-F291 AromaticContact CD2-CZ 3.41Å; F127-F291 HydrophobicContact CD2-CZ 3.41Å; F127-F291 VanDerWaalsContact CD2-CZ 3.41Å; F127-F291 HydrophobicContact CE2-CE2 4.02Å; F127-F291 AromaticContact CE2-CZ 3.59Å; F127-F291 HydrophobicContact CE2-CZ 3.59Å; F127-F291 HydrophobicContact CG-CZ 4.48Å; L129-F291 HydrophobicContact CD1-CD1 3.68Å; L129-F291 HydrophobicContact CD1-CE1 4Å; W134-F291 HydrophobicContact CE3-CB 3.95Å; W134-F291 HydrophobicContact CZ3-CB 4.03Å; G135-F291 WeakPolarHBondContact O-CA 3.29Å; V136-F291 HydrophobicContact CB-CD1 3.7Å; V136-F291 HydrophobicContact CB-CE1 3.88Å; V136-F291 HydrophobicContact CB-CG 4.34Å; V136-F291 HydrophobicContact CG2-CD1 3.64Å; V136-F291 HydrophobicContact CG2-CD2 4.28Å; V136-F291 HydrophobicContact CG2-CE1 3.58Å; V136-F291 HydrophobicContact CG2-CE2 4.22Å; V136-F291 HydrophobicContact CG2-CG 3.99Å; V136-F291 HydrophobicContact CG2-CZ 3.87Å; M252-F291 HydrophobicContact CE-CD2 4.47Å; M252-F291 HydrophobicContact CE-CE2 4.12Å; F268-F291 HydrophobicContact CE1-CB 3.6Å; F268-F291 AromaticContact CE1-CD1 3.92Å; F268-F291 HydrophobicContact CE1-CD1 3.92Å; F268-F291 HydrophobicContact CE1-CD2 4.07Å; F268-F291 AromaticContact CE1-CG 3.61Å; F268-F291 HydrophobicContact CE1-CG 3.61Å; F268-F291 HydrophobicContact CZ-CB 4.25Å; F268-F291 HydrophobicContact CZ-CD1 4.13Å; F268-F291 AromaticContact CZ-CD2 3.83Å; F268-F291 HydrophobicContact CZ-CD2 3.83Å; F268-F291 HydrophobicContact CZ-CE1 4.44Å; F268-F291 HydrophobicContact CZ-CE2 4.18Å; F268-F291 AromaticContact CZ-CG 3.81Å; F268-F291 HydrophobicContact CZ-CG 3.81Å; F268-F291 HydrophobicContact CZ-CZ 4.47Å; I273-F291 WeakPolarHBondContact CA-O 3.18Å; I273-F291 WeakPolarHBondContact CG2-O 3.28Å; V274-F291 HydrophobicContact CB-CB 4.19Å; V274-F291 PolarHBondContact N-O 2.85Å; V274-F291 PolarHBondContact O-N 2.83Å; T276-F291 HydrophobicContact CG2-CE2 4.1Å; L289-F291 HydrophobicContact CB-CD2 4.36Å; L289-F291 HydrophobicContact CB-CE2 3.81Å; L289-F291 HydrophobicContact CB-CZ 4.45Å; L289-F291 HydrophobicContact CD1-CE2 3.9Å; L289-F291 HydrophobicContact CD1-CZ 3.9Å
292	Y	98.9	Very high	96.6	Very high	7 Å²	7	49.8 Å²	49.8	3%	0.027	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143	-179.1	46.3	-98.6	0	0	0	111.6	W134 G135 N137 I290 F311 E312 I315 N316	W134-Y292 WeakPolarHBondContact CA-O 3.35Å; G135-Y292 VanDerWaalsContact CA-CE2 3.5Å; G135-Y292 PolarHBondContact N-O 3.23Å; G135-Y292 PolarHBondContact O-N 2.75Å; N137-Y292 HydrophobicContact CB-CE1 4.28Å; I290-Y292 HydrophobicContact CG2-CD1 4.5Å; Y292-F311 HydrophobicContact CG-CB 4.41Å; Y292-E312 HydrophobicContact CD2-CB 3.93Å; Y292-E312 HydrophobicContact CD2-CG 4.48Å; Y292-E312 VanDerWaalsContact CE2-CA 3.48Å; Y292-E312 HydrophobicContact CE2-CB 3.44Å; Y292-E312 VanDerWaalsContact CE2-CB 3.44Å; Y292-E312 HydrophobicContact CE2-CG 3.52Å; Y292-I315 HydrophobicContact CD1-CB 4.2Å; Y292-I315 HydrophobicContact CD1-CG1 4.46Å; Y292-I315 HydrophobicContact CD1-CG2 3.9Å; Y292-I315 HydrophobicContact CE1-CB 4.46Å; Y292-I315 HydrophobicContact CE1-CG2 4.07Å; Y292-N316 PolarHBondContact OH-ND2 2.8Å; Y292-N316 PolarHBondContact OH-OD1 2.94Å
293	R	98.7	Very high	96.3	Very high	46 Å²	46	54.1 Å²	54.1	17%	0.174	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	142.2	170.4	-79.7	-72.3	-169.9	169.5	-5.1	111.6	Q133 W134 F268 D272 Y309 F311	Q133-R293 CarbonylContact O-C 3.47Å; Q133-R293 WeakPolarHBondContact O-CA 3.3Å; Q133-R293 WeakPolarHBondContact O-CD 3.42Å; W134-R293 HydrophobicContact CD2-CG 4.49Å; W134-R293 HydrophobicContact CH2-CG 3.84Å; W134-R293 HydrophobicContact CZ2-CG 3.73Å; W134-R293 VanDerWaalsContact CZ2-NE 3.26Å; W134-R293 HydrophobicContact CZ3-CG 4.27Å; F268-R293 PolarHBondContact O-NH2 2.78Å; D272-R293 PolarHBondContact O-N 3.33Å; R293-Y309 HydrophobicContact CB-CD1 3.97Å; R293-Y309 HydrophobicContact CB-CD2 3.8Å; R293-Y309 HydrophobicContact CB-CE1 3.89Å; R293-Y309 HydrophobicContact CB-CE2 3.74Å; R293-Y309 HydrophobicContact CB-CG 3.91Å; R293-Y309 HydrophobicContact CG-CE1 4.47Å; R293-Y309 HydrophobicContact CG-CE2 4.21Å; R293-F311 HydrophobicContact CB-CD2 4.17Å; R293-F311 HydrophobicContact CB-CE2 4.31Å; R293-F311 WeakPolarHBondContact O-CD2 3.28Å
294	K	97.9	Very high	96.1	Very high	57 Å²	57	55.4 Å²	55.4	25%	0.248	31%	0.308	C	S	.	.			trans	-132.5	172	168.9	61.1	-175.8	-71.7	144.1	0	110.3	P131 A132 Q133 E312	P131-K294 WeakPolarHBondContact O-CD 3.24Å; A132-K294 WeakPolarHBondContact O-CG 3.34Å; Q133-K294 VanDerWaalsContact C-CG 3.47Å; Q133-K294 PolarHBondContact O-N 3.24Å; K294-E312 VanDerWaalsContact NZ-CD 3.34Å; K294-E312 IonicContact NZ-OE1 3.66Å; K294-E312 PolarHBondContact NZ-OE1 3.2Å; K294-E312 IonicContact NZ-OE2 2.98Å; K294-E312 PolarHBondContact NZ-OE2 2.89Å
295	G	96.5	Very high	95.9	Very high	38 Å²	38	64.2 Å²	64.2	39%	0.392	34%	0.339	S	S	.	.	S	Bend	trans	83.9	-150.3	-174.1	0	0	0	0	0	112.7	P308 Y309	G295-P308 CarbonylContact O-C 3.59Å; G295-P308 WeakPolarHBondContact O-CA 3.5Å; G295-Y309 PolarHBondContact O-N 2.97Å
296	V	96.1	Very high	95.7	Very high	66 Å²	66	69.9 Å²	69.9	40%	0.4	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.2	-174.2	-176.6	0	0	0	0	110.7	V299 E306	V296-V299 HydrophobicContact CG1-CG2 4.44Å; V296-E306 HydrophobicContact CG1-CB 4Å; V296-E306 HydrophobicContact CG1-CG 4.26Å; V296-E306 HydrophobicContact CG2-CB 4.15Å; V296-E306 HydrophobicContact CG2-CG 4.25Å; V296-E306 VanDerWaalsContact CG2-OE2 3.31Å; V296-E306 WeakPolarHBondContact CG2-OE2 3.47Å
297	K	92.9	Very high	95.6	Very high	99 Å²	99	64.8 Å²	64.8	43%	0.43	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-48.4	173.6	177.1	174.1	179	172.2	0	111.8	I307 Y309	K297-I307 WeakPolarHBondContact CB-O 3.44Å; K297-I307 PolarHBondContact N-O 2.91Å; K297-Y309 VanDerWaalsContact CA-CE2 3.49Å; K297-Y309 HydrophobicContact CB-CD1 3.94Å; K297-Y309 HydrophobicContact CB-CD2 4Å; K297-Y309 HydrophobicContact CB-CE1 3.75Å; K297-Y309 HydrophobicContact CB-CE2 3.79Å; K297-Y309 HydrophobicContact CB-CG 4.07Å; K297-Y309 HydrophobicContact CD-CD1 4.2Å; K297-Y309 HydrophobicContact CD-CE1 3.77Å; K297-Y309 HydrophobicContact CG-CD1 4.27Å; K297-Y309 HydrophobicContact CG-CE1 3.68Å; K297-Y309 HydrophobicContact CG-CE2 4.33Å
298	A	91.9	Very high	95.5	Very high	46 Å²	46	68.4 Å²	68.4	38%	0.38	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	158.6	-178.4	0	0	0	0	0	109.5	I307	A298-I307 PolarHBondContact N-O 3.25Å; A298-I307 WeakPolarHBondContact O-CB 3.35Å; A298-I307 PolarHBondContact O-N 2.89Å
299	V	92.8	Very high	95.4	Very high	82 Å²	82	70.3 Å²	70.3	50%	0.497	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.4	166.6	-176.2	0	0	0	0	107	V296 P301 G304 E306	V296-V299 HydrophobicContact CG1-CG2 4.44Å; V299-P301 VanDerWaalsContact O-CD 3.29Å; V299-P301 WeakPolarHBondContact O-CD 3.29Å; V299-G304 WeakPolarHBondContact CG1-O 3.45Å; V299-E306 HydrophobicContact CG2-CG 4.31Å
300	D	91.1	Very high	95.4	Very high	46 Å²	46	74.2 Å²	74.2	25%	0.246	41%	0.406	C	S	.	.			trans	-64.5	115.8	175.8	176.5	-4.3	0	0	0	109.2	K302 T303 G304 R305 I307	D300-K302 PolarHBondContact O-N 3.3Å; D300-K302 WeakPolarHBondContact OD1-CB 3.32Å; D300-K302 PolarHBondContact OD1-N 3.29Å; D300-T303 VanDerWaalsContact CB-OG1 3.29Å; D300-T303 WeakPolarHBondContact CB-OG1 3.39Å; D300-T303 PolarHBondContact O-N 2.77Å; D300-T303 WeakPolarHBondContact OD2-CG2 3.47Å; D300-T303 PolarHBondContact OD2-OG1 2.66Å; D300-G304 VanDerWaalsContact O-CA 3.32Å; D300-G304 WeakPolarHBondContact O-CA 3.46Å; D300-G304 PolarHBondContact O-N 3.47Å; D300-R305 PolarHBondContact N-O 2.97Å; D300-I307 HydrophobicContact CB-CD1 4.32Å
301	P	90.1	Very high	95.4	Very high	127 Å²	127	74.4 Å²	74.4	83%	0.825	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.3	-176.8	29	-35.9	0	0	0	112.9	V299	V299-P301 VanDerWaalsContact O-CD 3.29Å; V299-P301 WeakPolarHBondContact O-CD 3.29Å
302	K	93.1	Very high	95.4	Very high	195 Å²	195	77.4 Å²	77.4	85%	0.848	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-37.8	179	-61.7	-176	178.4	-176.8	0	112.4	D300	D300-K302 PolarHBondContact O-N 3.3Å; D300-K302 WeakPolarHBondContact OD1-CB 3.32Å; D300-K302 PolarHBondContact OD1-N 3.29Å
303	T	93.4	Very high	95.3	Very high	94 Å²	94	83.3 Å²	83.3	58%	0.577	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-14.8	-173.5	62.7	0	0	0	0	113.5	D300 R305	D300-T303 VanDerWaalsContact CB-OG1 3.29Å; D300-T303 WeakPolarHBondContact CB-OG1 3.39Å; D300-T303 PolarHBondContact O-N 2.77Å; D300-T303 WeakPolarHBondContact OD2-CG2 3.47Å; D300-T303 PolarHBondContact OD2-OG1 2.66Å; T303-R305 PolarHBondContact O-N 3.02Å; T303-R305 WeakPolarHBondContact OG1-CB 3.38Å; T303-R305 PolarHBondContact OG1-N 3.35Å
304	G	93.2	Very high	95.3	Very high	54 Å²	54	85 Å²	85	56%	0.557	46%	0.459	S	S	*	.			trans	71	3.9	-172.1	0	0	0	0	0	113.8	V299 D300	V299-G304 WeakPolarHBondContact CG1-O 3.45Å; D300-G304 VanDerWaalsContact O-CA 3.32Å; D300-G304 WeakPolarHBondContact O-CA 3.46Å; D300-G304 PolarHBondContact O-N 3.47Å
305	R	94.8	Very high	95.4	Very high	193 Å²	193	82.3 Å²	82.3	73%	0.728	45%	0.447	S	S	*	.			trans	-81.6	134.2	-175.4	-170	177.4	178.9	172.8	1.5	111.1	D300 T303	D300-R305 PolarHBondContact N-O 2.97Å; T303-R305 PolarHBondContact O-N 3.02Å; T303-R305 WeakPolarHBondContact OG1-CB 3.38Å; T303-R305 PolarHBondContact OG1-N 3.35Å
306	E	95.5	Very high	95.5	Very high	125 Å²	125	81.9 Å²	81.9	58%	0.584	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.7	171.1	-61.3	-171.7	159.5	0	0	111.1	V296 V299 P308	V296-E306 HydrophobicContact CG1-CB 4Å; V296-E306 HydrophobicContact CG1-CG 4.26Å; V296-E306 HydrophobicContact CG2-CB 4.15Å; V296-E306 HydrophobicContact CG2-CG 4.25Å; V296-E306 VanDerWaalsContact CG2-OE2 3.31Å; V296-E306 WeakPolarHBondContact CG2-OE2 3.47Å; V299-E306 HydrophobicContact CG2-CG 4.31Å; E306-P308 WeakPolarHBondContact O-CD 3.36Å
307	I	95.3	Very high	95.6	Very high	80 Å²	80	84.8 Å²	84.8	41%	0.41	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	108.3	173.8	-56	172.8	0	0	0	107	K297 A298 D300	K297-I307 WeakPolarHBondContact CB-O 3.44Å; K297-I307 PolarHBondContact N-O 2.91Å; A298-I307 PolarHBondContact N-O 3.25Å; A298-I307 WeakPolarHBondContact O-CB 3.35Å; A298-I307 PolarHBondContact O-N 2.89Å; D300-I307 HydrophobicContact CB-CD1 4.32Å
308	P	96.9	Very high	95.9	Very high	82 Å²	82	80.2 Å²	80.2	53%	0.532	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	154.3	-178.8	31.5	-35.2	0	0	0	111.7	G295 E306	G295-P308 CarbonylContact O-C 3.59Å; G295-P308 WeakPolarHBondContact O-CA 3.5Å; E306-P308 WeakPolarHBondContact O-CD 3.36Å
309	Y	98	Very high	96.3	Very high	39 Å²	39	78.1 Å²	78.1	15%	0.153	41%	0.406	C	S	.	.			trans	-67.3	139.4	159.9	-76.1	-69.5	0	0	0	110.1	R293 G295 K297 F311	R293-Y309 HydrophobicContact CB-CD1 3.97Å; R293-Y309 HydrophobicContact CB-CD2 3.8Å; R293-Y309 HydrophobicContact CB-CE1 3.89Å; R293-Y309 HydrophobicContact CB-CE2 3.74Å; R293-Y309 HydrophobicContact CB-CG 3.91Å; R293-Y309 HydrophobicContact CG-CE1 4.47Å; R293-Y309 HydrophobicContact CG-CE2 4.21Å; G295-Y309 PolarHBondContact O-N 2.97Å; K297-Y309 VanDerWaalsContact CA-CE2 3.49Å; K297-Y309 HydrophobicContact CB-CD1 3.94Å; K297-Y309 HydrophobicContact CB-CD2 4Å; K297-Y309 HydrophobicContact CB-CE1 3.75Å; K297-Y309 HydrophobicContact CB-CE2 3.79Å; K297-Y309 HydrophobicContact CB-CG 4.07Å; K297-Y309 HydrophobicContact CD-CD1 4.2Å; K297-Y309 HydrophobicContact CD-CE1 3.77Å; K297-Y309 HydrophobicContact CG-CD1 4.27Å; K297-Y309 HydrophobicContact CG-CE1 3.68Å; K297-Y309 HydrophobicContact CG-CE2 4.33Å; Y309-F311 AromaticContact CD1-CD2 3.64Å; Y309-F311 HydrophobicContact CD1-CD2 3.64Å; Y309-F311 AromaticContact CD1-CE2 3.19Å; Y309-F311 HydrophobicContact CD1-CE2 3.19Å; Y309-F311 AromaticContact CD1-CZ 3.95Å; Y309-F311 HydrophobicContact CD1-CZ 3.95Å; Y309-F311 HydrophobicContact CE1-CD2 4.35Å; Y309-F311 AromaticContact CE1-CE2 3.56Å; Y309-F311 HydrophobicContact CE1-CE2 3.56Å; Y309-F311 HydrophobicContact CE1-CZ 4.26Å; Y309-F311 HydrophobicContact CG-CD2 4.25Å; Y309-F311 HydrophobicContact CG-CE2 4.21Å
310	T	98.1	Very high	96.5	Very high	83 Å²	83	74.9 Å²	74.9	51%	0.509	39%	0.386	S	S	.	.			trans	-118.6	27	-178.6	58.9	0	0	0	0	112.1	R314	T310-R314 WeakPolarHBondContact O-CG 3.43Å; T310-R314 PolarHBondContact O-NE 2.89Å; T310-R314 PolarHBondContact OG1-NH2 3.45Å
311	F	98.8	Very high	96.9	Very high	4 Å²	4	75.5 Å²	75.5	2%	0.018	39%	0.392	C	S	.	.	H	α-helix	trans	-82.4	-41.2	-173.1	-60.4	-43.5	0	0	0	113.2	L154 H247 D272 I273 Y292 R293 Y309 D313 R314 I315	L154-F311 HydrophobicContact CD1-CD1 4.33Å; L154-F311 HydrophobicContact CD1-CE1 4.27Å; L154-F311 HydrophobicContact CD2-CD1 3.6Å; L154-F311 HydrophobicContact CD2-CE1 4.04Å; H247-F311 AromaticContact CE1-CE1 3.61Å; H247-F311 AromaticContact CE1-CZ 3.89Å; H247-F311 AromaticContact ND1-CE1 3.73Å; H247-F311 AromaticContact ND1-CZ 3.68Å; D272-F311 HydrophobicContact CB-CE2 3.76Å; D272-F311 HydrophobicContact CB-CZ 3.89Å; I273-F311 HydrophobicContact CD1-CB 3.94Å; I273-F311 HydrophobicContact CD1-CD1 4.01Å; I273-F311 HydrophobicContact CD1-CD2 3.65Å; I273-F311 HydrophobicContact CD1-CE1 4.41Å; I273-F311 HydrophobicContact CD1-CE2 4.06Å; I273-F311 HydrophobicContact CD1-CG 3.62Å; I273-F311 HydrophobicContact CD1-CZ 4.44Å; Y292-F311 HydrophobicContact CG-CB 4.41Å; R293-F311 HydrophobicContact CB-CD2 4.17Å; R293-F311 HydrophobicContact CB-CE2 4.31Å; R293-F311 WeakPolarHBondContact O-CD2 3.28Å; Y309-F311 AromaticContact CD1-CD2 3.64Å; Y309-F311 HydrophobicContact CD1-CD2 3.64Å; Y309-F311 AromaticContact CD1-CE2 3.19Å; Y309-F311 HydrophobicContact CD1-CE2 3.19Å; Y309-F311 AromaticContact CD1-CZ 3.95Å; Y309-F311 HydrophobicContact CD1-CZ 3.95Å; Y309-F311 HydrophobicContact CE1-CD2 4.35Å; Y309-F311 AromaticContact CE1-CE2 3.56Å; Y309-F311 HydrophobicContact CE1-CE2 3.56Å; Y309-F311 HydrophobicContact CE1-CZ 4.26Å; Y309-F311 HydrophobicContact CG-CD2 4.25Å; Y309-F311 HydrophobicContact CG-CE2 4.21Å; F311-D313 PolarHBondContact O-N 2.7Å; F311-R314 PolarHBondContact O-N 3.07Å; F311-I315 WeakPolarHBondContact O-CB 3.4Å; F311-I315 VanDerWaalsContact O-CG1 3.24Å; F311-I315 WeakPolarHBondContact O-CG1 3.37Å; F311-I315 PolarHBondContact O-N 3.11Å
312	E	98.8	Very high	97.3	Very high	62 Å²	62	72.3 Å²	72.3	29%	0.29	37%	0.373	S	S	.	.	H	α-helix	trans	-51.4	-60.6	-172.1	-178.3	159.2	-130.7	0	0	112.7	Y292 K294 R314 I315 N316	Y292-E312 HydrophobicContact CD2-CB 3.93Å; Y292-E312 HydrophobicContact CD2-CG 4.48Å; Y292-E312 VanDerWaalsContact CE2-CA 3.48Å; Y292-E312 HydrophobicContact CE2-CB 3.44Å; Y292-E312 VanDerWaalsContact CE2-CB 3.44Å; Y292-E312 HydrophobicContact CE2-CG 3.52Å; K294-E312 VanDerWaalsContact NZ-CD 3.34Å; K294-E312 IonicContact NZ-OE1 3.66Å; K294-E312 PolarHBondContact NZ-OE1 3.2Å; K294-E312 IonicContact NZ-OE2 2.98Å; K294-E312 PolarHBondContact NZ-OE2 2.89Å; E312-R314 PolarHBondContact O-N 3.42Å; E312-I315 PolarHBondContact O-N 3.39Å; E312-N316 VanDerWaalsContact O-CB 3.32Å; E312-N316 WeakPolarHBondContact O-CB 3.48Å; E312-N316 PolarHBondContact O-N 2.93Å; E312-N316 PolarHBondContact O-ND2 3.49Å; E312-N316 VanDerWaalsContact O-ND2 3.08Å
313	D	98.5	Very high	97.6	Very high	132 Å²	132	66.8 Å²	66.8	71%	0.706	35%	0.352	S	S	*	.	H	α-helix	trans	-63.3	-41.2	-178.2	-64.9	-32.6	0	0	0	112.3	F311 F317	F311-D313 PolarHBondContact O-N 2.7Å; D313-F317 WeakPolarHBondContact O-CB 3.21Å; D313-F317 PolarHBondContact O-N 3.34Å
314	R	98.8	Very high	97.8	Very high	82 Å²	82	63.3 Å²	63.3	31%	0.309	33%	0.329	S	S	.	.	H	α-helix	trans	-66.6	-44.9	-178.2	-68.4	-168.4	-69.4	154.8	-7.1	112.2	A153 L154 T310 F311 E312 A318	A153-R314 HydrophobicContact CB-CB 4.22Å; A153-R314 WeakPolarHBondContact CB-O 3.42Å; A153-R314 PolarHBondContact O-NH1 3.15Å; L154-R314 VanDerWaalsContact CD2-CZ 3.49Å; T310-R314 WeakPolarHBondContact O-CG 3.43Å; T310-R314 PolarHBondContact O-NE 2.89Å; T310-R314 PolarHBondContact OG1-NH2 3.45Å; F311-R314 PolarHBondContact O-N 3.07Å; E312-R314 PolarHBondContact O-N 3.42Å; R314-A318 WeakPolarHBondContact O-CB 3.14Å; R314-A318 PolarHBondContact O-N 2.89Å
315	I	98.9	Very high	98.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-48	179.2	-68.7	-73.9	0	0	0	110	V150 A153 L154 I290 Y292 F311 E312 F317 A318 V319	V150-I315 HydrophobicContact CB-CD1 4.22Å; V150-I315 HydrophobicContact CG1-CD1 4.34Å; V150-I315 HydrophobicContact CG2-CD1 3.94Å; A153-I315 HydrophobicContact CB-CD1 3.58Å; A153-I315 HydrophobicContact CB-CG1 4.14Å; L154-I315 HydrophobicContact CD2-CD1 4.43Å; L154-I315 HydrophobicContact CG-CD1 4.36Å; I290-I315 HydrophobicContact CB-CG2 4.2Å; I290-I315 HydrophobicContact CD1-CG2 4.09Å; I290-I315 HydrophobicContact CG2-CD1 4.3Å; I290-I315 HydrophobicContact CG2-CG2 3.72Å; Y292-I315 HydrophobicContact CD1-CB 4.2Å; Y292-I315 HydrophobicContact CD1-CG1 4.46Å; Y292-I315 HydrophobicContact CD1-CG2 3.9Å; Y292-I315 HydrophobicContact CE1-CB 4.46Å; Y292-I315 HydrophobicContact CE1-CG2 4.07Å; F311-I315 WeakPolarHBondContact O-CB 3.4Å; F311-I315 VanDerWaalsContact O-CG1 3.24Å; F311-I315 WeakPolarHBondContact O-CG1 3.37Å; F311-I315 PolarHBondContact O-N 3.11Å; E312-I315 PolarHBondContact O-N 3.39Å; I315-F317 VanDerWaalsContact C-N 3.31Å; I315-F317 PolarHBondContact O-N 3.49Å; I315-A318 PolarHBondContact O-N 2.93Å; I315-V319 WeakPolarHBondContact O-CG2 3.36Å; I315-V319 PolarHBondContact O-N 3.21Å
316	N	98.9	Very high	98.2	Very high	28 Å²	28	53 Å²	53	15%	0.15	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-42.7	179.2	-67.4	-26.3	0	0	0	110.8	Y100 N137 Y292 E312 A318 V319 F320	Y100-N316 HydrophobicContact CE1-CB 4.45Å; Y100-N316 HydrophobicContact CE2-CB 3.91Å; Y100-N316 WeakPolarHBondContact OH-CA 3.31Å; Y100-N316 PolarHBondContact OH-O 3.28Å; N137-N316 PolarHBondContact ND2-OD1 2.85Å; Y292-N316 PolarHBondContact OH-ND2 2.8Å; Y292-N316 PolarHBondContact OH-OD1 2.94Å; E312-N316 VanDerWaalsContact O-CB 3.32Å; E312-N316 WeakPolarHBondContact O-CB 3.48Å; E312-N316 PolarHBondContact O-N 2.93Å; E312-N316 PolarHBondContact O-ND2 3.49Å; E312-N316 VanDerWaalsContact O-ND2 3.08Å; N316-A318 PolarHBondContact O-N 3.34Å; N316-V319 PolarHBondContact O-N 3.38Å; N316-F320 PolarHBondContact O-N 3.1Å
317	F	98.8	Very high	98.4	Very high	128 Å²	128	47.3 Å²	47.3	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-65.8	-36.5	177.1	-164.7	-86.1	0	0	0	113.3	D313 I315 F320 P321 S322	D313-F317 WeakPolarHBondContact O-CB 3.21Å; D313-F317 PolarHBondContact O-N 3.34Å; I315-F317 VanDerWaalsContact C-N 3.31Å; I315-F317 PolarHBondContact O-N 3.49Å; F317-F320 CarbonylContact C-O 3.21Å; F317-F320 VanDerWaalsContact CA-O 3.26Å; F317-F320 WeakPolarHBondContact CA-O 3.29Å; F317-F320 CarbonylContact O-C 3.55Å; F317-P321 HydrophobicContact CE1-CG 4.29Å; F317-P321 HydrophobicContact CE2-CG 4.07Å; F317-P321 HydrophobicContact CZ-CG 3.88Å; F317-P321 WeakPolarHBondContact O-CD 3.34Å; F317-S322 WeakPolarHBondContact CD1-OG 3.33Å; F317-S322 WeakPolarHBondContact O-CB 3.28Å; F317-S322 PolarHBondContact O-N 2.96Å; F317-S322 PolarHBondContact O-OG 2.86Å
318	A	98.9	Very high	98.5	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.025	26%	0.257	C	S	.	.	I	π-helix	trans	-68.3	-38.8	176.9	0	0	0	0	0	112.3	A149 T152 A153 R314 I315 N316 S322 L323	A149-A318 WeakPolarHBondContact O-CB 3.36Å; T152-A318 HydrophobicContact CG2-CB 4.38Å; A153-A318 HydrophobicContact CB-CB 3.62Å; R314-A318 WeakPolarHBondContact O-CB 3.14Å; R314-A318 PolarHBondContact O-N 2.89Å; I315-A318 PolarHBondContact O-N 2.93Å; N316-A318 PolarHBondContact O-N 3.34Å; A318-S322 WeakPolarHBondContact O-CB 3.44Å; A318-L323 WeakPolarHBondContact O-CB 3.43Å; A318-L323 WeakPolarHBondContact O-CG 3.37Å; A318-L323 PolarHBondContact O-N 3.21Å
319	V	98.9	Very high	98.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	23%	0.232	C	C	.	.	I	π-helix	trans	-63.5	-53.2	172.7	172.9	0	0	0	0	109.9	Q139 P140 A149 I290 I315 N316 Q324	Q139-V319 HydrophobicContact CB-CG1 4.02Å; P140-V319 HydrophobicContact CG-CG2 4.43Å; A149-V319 HydrophobicContact CB-CG2 3.75Å; I290-V319 HydrophobicContact CD1-CG2 3.73Å; I315-V319 WeakPolarHBondContact O-CG2 3.36Å; I315-V319 PolarHBondContact O-N 3.21Å; N316-V319 PolarHBondContact O-N 3.38Å; V319-Q324 WeakPolarHBondContact O-CB 3.36Å; V319-Q324 PolarHBondContact O-N 3.43Å
320	F	98.8	Very high	98.7	Very high	15 Å²	15	43.3 Å²	43.3	7%	0.066	23%	0.23	C	C	.	.	I	π-helix	trans	-143.5	128	175.6	177.2	-87.4	0	0	0	109.7	E98 Y100 Y105 N316 F317 Q324	E98-F320 HydrophobicContact CB-CE1 4.46Å; E98-F320 HydrophobicContact CB-CE2 3.79Å; E98-F320 HydrophobicContact CB-CZ 3.69Å; E98-F320 HydrophobicContact CG-CD2 4.45Å; E98-F320 HydrophobicContact CG-CE2 3.68Å; E98-F320 HydrophobicContact CG-CZ 4.1Å; Y100-F320 HydrophobicContact CE2-CB 4.47Å; Y105-F320 HydrophobicContact CD2-CE1 4.02Å; Y105-F320 HydrophobicContact CD2-CZ 4.26Å; Y105-F320 AromaticContact CE2-CE1 3.58Å; Y105-F320 HydrophobicContact CE2-CE1 3.58Å; Y105-F320 HydrophobicContact CE2-CZ 4.1Å; N316-F320 PolarHBondContact O-N 3.1Å; F317-F320 CarbonylContact C-O 3.21Å; F317-F320 VanDerWaalsContact CA-O 3.26Å; F317-F320 WeakPolarHBondContact CA-O 3.29Å; F317-F320 CarbonylContact O-C 3.55Å; F320-Q324 VanDerWaalsContact CD2-O 3.29Å; F320-Q324 WeakPolarHBondContact CD2-O 3.49Å
321	P	98.6	Very high	98.7	Very high	58 Å²	58	39.7 Å²	39.7	38%	0.377	21%	0.209	S	C	.	.	I	π-helix	cis	-95.3	4.8	16.4	37	-37.3	0	0	0	115.2	F317	F317-P321 HydrophobicContact CE1-CG 4.29Å; F317-P321 HydrophobicContact CE2-CG 4.07Å; F317-P321 HydrophobicContact CZ-CG 3.88Å; F317-P321 WeakPolarHBondContact O-CD 3.34Å
322	S	98.6	Very high	98.7	Very high	60 Å²	60	39.7 Å²	39.7	42%	0.42	21%	0.209	S	C	.	.	I	π-helix	trans	-74.5	-40.2	-163.8	-47.8	0	0	0	0	114.3	F317 A318	F317-S322 WeakPolarHBondContact CD1-OG 3.33Å; F317-S322 WeakPolarHBondContact O-CB 3.28Å; F317-S322 PolarHBondContact O-N 2.96Å; F317-S322 PolarHBondContact O-OG 2.86Å; A318-S322 WeakPolarHBondContact O-CB 3.44Å
323	L	98.6	Very high	98.7	Very high	80 Å²	80	37.3 Å²	37.3	42%	0.419	20%	0.2	S	C	.	.	I	π-helix	trans	-117.5	-39.7	-172.1	-68.8	170.5	0	0	0	114	L148 A149 T152 A318	L148-L323 HydrophobicContact CG-CD1 4.41Å; A149-L323 HydrophobicContact CB-CD1 3.87Å; T152-L323 HydrophobicContact CG2-CD1 4.41Å; A318-L323 WeakPolarHBondContact O-CB 3.43Å; A318-L323 WeakPolarHBondContact O-CG 3.37Å; A318-L323 PolarHBondContact O-N 3.21Å
324	Q	98.8	Very high	98.8	Very high	21 Å²	21	31 Å²	31	10%	0.098	17%	0.167	C	C	.	.			trans	-111.4	163.9	-178.2	-56.1	-168.7	162	0	0	111.3	Q139 Y141 V319 F320	Q139-Q324 PolarHBondContact O-NE2 3.45Å; Y141-Q324 HydrophobicContact CD2-CG 4.01Å; Y141-Q324 VanDerWaalsContact CD2-OE1 3.28Å; Y141-Q324 HydrophobicContact CE2-CB 3.82Å; Y141-Q324 HydrophobicContact CE2-CG 3.65Å; V319-Q324 WeakPolarHBondContact O-CB 3.36Å; V319-Q324 PolarHBondContact O-N 3.43Å; F320-Q324 VanDerWaalsContact CD2-O 3.29Å; F320-Q324 WeakPolarHBondContact CD2-O 3.49Å
325	G	98.5	Very high	98.8	Very high	21 Å²	21	27.2 Å²	27.2	22%	0.216	15%	0.152	C	C	.	.			trans	-106.7	-121.5	170.2	0	0	0	0	0	111.2	E98	E98-G325 VanDerWaalsContact OE1-CA 3.27Å; E98-G325 WeakPolarHBondContact OE1-CA 3.45Å
326	G	97.9	Very high	98.8	Very high	8 Å²	8	27.4 Å²	27.4	8%	0.082	15%	0.154	C	C	.	.	S	Bend	trans	-58.4	130.4	178.8	0	0	0	0	0	114.3	Y96 E98 Y141	Y96-G326 PolarHBondContact OH-N 2.97Å; E98-G326 PolarHBondContact OE1-N 3.41Å; Y141-G326 PolarHBondContact OH-O 2.84Å
327	P	98.6	Very high	98.8	Very high	7 Å²	7	27.9 Å²	27.9	5%	0.045	16%	0.158	C	C	.	.			trans	-66.1	146.4	173.7	-20.6	32.9	0	0	0	112.7	S97 Q139 N329 I332	S97-P327 WeakPolarHBondContact O-CD 3.21Å; Q139-P327 HydrophobicContact CG-CB 4.21Å; Q139-P327 HydrophobicContact CG-CG 4.29Å; P327-N329 PolarHBondContact O-N 3.36Å; P327-N329 VanDerWaalsContact O-N 3.11Å; P327-I332 HydrophobicContact CB-CD1 3.98Å
328	H	98.9	Very high	98.8	Very high	88 Å²	88	22 Å²	22	41%	0.407	13%	0.132	S	C	.	.			trans	-84.1	80.9	174.1	-68.3	-172	0	0	0	110.5	Y141 H330 A331 I332	Y141-H328 AromaticContact CD1-CD2 3.89Å; Y141-H328 AromaticContact CD1-CE1 3.9Å; Y141-H328 AromaticContact CD1-CG 3.87Å; Y141-H328 AromaticContact CD1-ND1 3.89Å; Y141-H328 AromaticContact CD1-NE2 3.9Å; Y141-H328 AromaticContact CE1-CD2 3.45Å; Y141-H328 VanDerWaalsContact CE1-CD2 3.45Å; Y141-H328 WeakPolarHBondContact CE1-CD2 3.46Å; Y141-H328 AromaticContact CE1-CG 3.88Å; Y141-H328 AromaticContact CE1-NE2 3.58Å; Y141-H328 AromaticContact CZ-NE2 3.97Å; H328-H330 VanDerWaalsContact C-N 3.31Å; H328-H330 PolarHBondContact O-N 3.17Å; H328-A331 HydrophobicContact CB-CB 3.98Å; H328-A331 WeakPolarHBondContact O-CA 3.45Å; H328-A331 WeakPolarHBondContact O-CB 3.27Å; H328-A331 PolarHBondContact O-N 2.79Å; H328-I332 PolarHBondContact O-N 3.41Å
329	N	98.9	Very high	98.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-57.5	-38.1	-172.9	-72.5	-53.5	0	0	0	114.1	L92 K95 S97 V112 P327 A331 I332 A333	L92-N329 HydrophobicContact CB-CB 4.12Å; K95-N329 PolarHBondContact O-ND2 3.03Å; S97-N329 PolarHBondContact OG-ND2 3.09Å; S97-N329 PolarHBondContact OG-OD1 3.07Å; V112-N329 HydrophobicContact CG1-CB 4.12Å; P327-N329 PolarHBondContact O-N 3.36Å; P327-N329 VanDerWaalsContact O-N 3.11Å; N329-A331 VanDerWaalsContact C-N 3.32Å; N329-A331 PolarHBondContact O-N 3.45Å; N329-I332 PolarHBondContact O-N 2.93Å; N329-A333 PolarHBondContact O-N 3.5Å
330	H	98.9	Very high	98.8	Very high	28 Å²	28	26.5 Å²	26.5	13%	0.13	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-38.1	174.5	63.2	108.9	0	0	0	112.4	L88 L92 N93 H328 A334	L88-H330 WeakPolarHBondContact CD1-ND1 3.47Å; L88-H330 WeakPolarHBondContact O-CB 3.38Å; L88-H330 PolarHBondContact O-ND1 3.49Å; L92-H330 HydrophobicContact CB-CB 3.92Å; N93-H330 HydrophobicContact CB-CB 4.39Å; N93-H330 PolarHBondContact OD1-NE2 2.94Å; H328-H330 VanDerWaalsContact C-N 3.31Å; H328-H330 PolarHBondContact O-N 3.17Å; H330-A334 PolarHBondContact O-N 2.93Å; H330-A334 VanDerWaalsContact O-N 3.1Å
331	A	98.9	Very high	98.8	Very high	7 Å²	7	27.9 Å²	27.9	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-70.4	-41.5	173.6	0	0	0	0	0	111.8	L88 H328 N329 A333 A334 V335	L88-A331 HydrophobicContact CD1-CB 4.08Å; H328-A331 HydrophobicContact CB-CB 3.98Å; H328-A331 WeakPolarHBondContact O-CA 3.45Å; H328-A331 WeakPolarHBondContact O-CB 3.27Å; H328-A331 PolarHBondContact O-N 2.79Å; N329-A331 VanDerWaalsContact C-N 3.32Å; N329-A331 PolarHBondContact O-N 3.45Å; A331-A333 VanDerWaalsContact C-N 3.29Å; A331-A333 PolarHBondContact O-N 3.43Å; A331-A334 PolarHBondContact O-N 3.36Å; A331-V335 VanDerWaalsContact O-CG2 3.27Å; A331-V335 WeakPolarHBondContact O-CG2 3.45Å; A331-V335 PolarHBondContact O-N 3.22Å
332	I	98.9	Very high	98.8	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-58.4	-42.1	175.4	-67	168.2	0	0	0	110.8	I115 C119 V138 Q139 P327 H328 N329 V335 A336	I115-I332 HydrophobicContact CG2-CG2 4.16Å; C119-I332 HydrophobicContact CB-CG2 3.76Å; C119-I332 PolarHBondContact SG-O 3.33Å; V138-I332 HydrophobicContact CG2-CG1 4.49Å; V138-I332 HydrophobicContact CG2-CG2 4.13Å; Q139-I332 HydrophobicContact CG-CD1 4.36Å; P327-I332 HydrophobicContact CB-CD1 3.98Å; H328-I332 PolarHBondContact O-N 3.41Å; N329-I332 PolarHBondContact O-N 2.93Å; I332-V335 PolarHBondContact O-N 3.21Å; I332-A336 PolarHBondContact O-N 3.17Å
333	A	98.9	Very high	98.8	Very high	13 Å²	13	24.8 Å²	24.8	11%	0.107	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-45.5	175.1	0	0	0	0	0	112.3	A87 L92 I115 N329 A331 V335 A336 V337	A87-A333 HydrophobicContact CB-CB 4.29Å; L92-A333 HydrophobicContact CD1-CB 3.35Å; I115-A333 HydrophobicContact CG2-CB 4.07Å; N329-A333 PolarHBondContact O-N 3.5Å; A331-A333 VanDerWaalsContact C-N 3.29Å; A331-A333 PolarHBondContact O-N 3.43Å; A333-V335 VanDerWaalsContact C-N 3.28Å; A333-V335 PolarHBondContact O-N 2.92Å; A333-A336 WeakPolarHBondContact O-CB 3.26Å; A333-A336 PolarHBondContact O-N 3.13Å; A333-A336 VanDerWaalsContact O-N 3.13Å; A333-V337 WeakPolarHBondContact O-CG2 3.5Å; A333-V337 PolarHBondContact O-N 2.68Å
334	A	98.9	Very high	98.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-37.8	175.1	0	0	0	0	0	112.5	A84 A87 L88 A285 H330 A331 V337 A338	A84-A334 HydrophobicContact CB-CB 4.47Å; A84-A334 WeakPolarHBondContact O-CB 3.13Å; A87-A334 HydrophobicContact CB-CB 4.21Å; L88-A334 HydrophobicContact CB-CB 4.24Å; L88-A334 HydrophobicContact CD1-CB 4.45Å; A285-A334 HydrophobicContact CB-CB 3.72Å; H330-A334 PolarHBondContact O-N 2.93Å; H330-A334 VanDerWaalsContact O-N 3.1Å; A331-A334 PolarHBondContact O-N 3.36Å; A334-V337 PolarHBondContact O-N 3.01Å; A334-A338 PolarHBondContact O-N 2.91Å
335	V	98.9	Very high	98.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-65.6	-43.8	173.3	172.8	0	0	0	0	111	T278 L289 A331 I332 A333 V337 A338 L339	T278-V335 HydrophobicContact CG2-CB 4.39Å; T278-V335 HydrophobicContact CG2-CG1 3.68Å; T278-V335 HydrophobicContact CG2-CG2 3.7Å; L289-V335 HydrophobicContact CD2-CG1 4.3Å; A331-V335 VanDerWaalsContact O-CG2 3.27Å; A331-V335 WeakPolarHBondContact O-CG2 3.45Å; A331-V335 PolarHBondContact O-N 3.22Å; I332-V335 PolarHBondContact O-N 3.21Å; A333-V335 VanDerWaalsContact C-N 3.28Å; A333-V335 PolarHBondContact O-N 2.92Å; V335-V337 PolarHBondContact O-N 3.07Å; V335-A338 PolarHBondContact O-N 3.47Å; V335-A338 VanDerWaalsContact O-N 3.14Å; V335-L339 HydrophobicContact CG1-CD1 3.7Å; V335-L339 HydrophobicContact CG1-CG 4.13Å; V335-L339 WeakPolarHBondContact O-CB 3.3Å; V335-L339 VanDerWaalsContact O-CG 3.3Å; V335-L339 WeakPolarHBondContact O-CG 3.43Å; V335-L339 PolarHBondContact O-N 2.94Å
336	A	98.9	Very high	98.8	Very high	5 Å²	5	31.4 Å²	31.4	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-34.5	176.2	0	0	0	0	0	112.4	C119 R122 I332 A333 K340	C119-A336 HydrophobicContact CB-CB 3.84Å; R122-A336 VanDerWaalsContact CD-O 3.23Å; R122-A336 WeakPolarHBondContact CD-O 3.37Å; R122-A336 PolarHBondContact NH1-O 3.16Å; I332-A336 PolarHBondContact O-N 3.17Å; A333-A336 WeakPolarHBondContact O-CB 3.26Å; A333-A336 PolarHBondContact O-N 3.13Å; A333-A336 VanDerWaalsContact O-N 3.13Å; A336-K340 PolarHBondContact O-N 3.11Å
337	V	98.9	Very high	98.9	Very high	38 Å²	38	31.1 Å²	31.1	23%	0.23	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-50.8	172	173	0	0	0	0	110.7	A83 A84 A87 A333 A334 V335 L339 K340 Q341	A83-V337 HydrophobicContact CB-CG1 3.95Å; A84-V337 HydrophobicContact CB-CB 4.44Å; A84-V337 HydrophobicContact CB-CG1 4.17Å; A87-V337 HydrophobicContact CB-CG2 4.35Å; A333-V337 WeakPolarHBondContact O-CG2 3.5Å; A333-V337 PolarHBondContact O-N 2.68Å; A334-V337 PolarHBondContact O-N 3.01Å; V335-V337 PolarHBondContact O-N 3.07Å; V337-L339 VanDerWaalsContact C-N 3.35Å; V337-L339 PolarHBondContact O-N 3.35Å; V337-K340 WeakPolarHBondContact O-CB 3.21Å; V337-K340 PolarHBondContact O-N 3.42Å; V337-Q341 WeakPolarHBondContact O-CG 3.3Å; V337-Q341 PolarHBondContact O-N 2.88Å; V337-Q341 VanDerWaalsContact O-N 3.08Å
338	A	98.9	Very high	98.9	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-61.6	-40.5	179.9	0	0	0	0	0	112.6	G284 A334 V335 K340 Q341 A342	G284-A338 VanDerWaalsContact CA-CB 3.47Å; A334-A338 PolarHBondContact O-N 2.91Å; V335-A338 PolarHBondContact O-N 3.47Å; V335-A338 VanDerWaalsContact O-N 3.14Å; A338-K340 VanDerWaalsContact C-N 3.33Å; A338-K340 PolarHBondContact O-N 3.33Å; A338-Q341 WeakPolarHBondContact O-CB 3.4Å; A338-Q341 PolarHBondContact O-N 3.22Å; A338-Q341 VanDerWaalsContact O-N 3.16Å; A338-A342 PolarHBondContact O-N 2.86Å
339	L	98.9	Very high	98.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-39.2	175.6	-71.5	166.8	0	0	0	111.8	R122 A123 A126 F127 L282 V335 V337 Q341 A342 C343	R122-L339 HydrophobicContact CB-CB 3.89Å; R122-L339 HydrophobicContact CB-CD1 4.38Å; A123-L339 HydrophobicContact CB-CD1 3.74Å; A123-L339 HydrophobicContact CB-CD2 4.47Å; A126-L339 HydrophobicContact CB-CD2 3.99Å; F127-L339 HydrophobicContact CE2-CD2 4.46Å; L282-L339 HydrophobicContact CD2-CD2 4.14Å; V335-L339 HydrophobicContact CG1-CD1 3.7Å; V335-L339 HydrophobicContact CG1-CG 4.13Å; V335-L339 WeakPolarHBondContact O-CB 3.3Å; V335-L339 VanDerWaalsContact O-CG 3.3Å; V335-L339 WeakPolarHBondContact O-CG 3.43Å; V335-L339 PolarHBondContact O-N 2.94Å; V337-L339 VanDerWaalsContact C-N 3.35Å; V337-L339 PolarHBondContact O-N 3.35Å; L339-Q341 VanDerWaalsContact C-N 3.31Å; L339-Q341 PolarHBondContact O-N 3.33Å; L339-A342 WeakPolarHBondContact O-CB 3.39Å; L339-A342 PolarHBondContact O-N 2.76Å; L339-C343 PolarHBondContact O-N 2.77Å; L339-C343 PolarHBondContact O-SG 3.24Å
340	K	98.9	Very high	98.9	Very high	100 Å²	100	38 Å²	38	44%	0.435	20%	0.198	S	C	.	.	H	α-helix	trans	-63	-40.7	174	-177.4	57.2	179	177	0	111.8	A336 V337 A338 A342 C343	A336-K340 PolarHBondContact O-N 3.11Å; V337-K340 WeakPolarHBondContact O-CB 3.21Å; V337-K340 PolarHBondContact O-N 3.42Å; A338-K340 VanDerWaalsContact C-N 3.33Å; A338-K340 PolarHBondContact O-N 3.33Å; K340-A342 VanDerWaalsContact C-N 3.31Å; K340-C343 PolarHBondContact O-N 2.91Å
341	Q	98.9	Very high	98.9	Very high	44 Å²	44	36.7 Å²	36.7	21%	0.206	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-39.4	175.7	-67.2	171	-14.5	0	0	110.9	S81 V337 A338 L339 C343 T344 F347	S81-Q341 PolarHBondContact OG-NE2 3.21Å; S81-Q341 PolarHBondContact OG-OE1 3.23Å; V337-Q341 WeakPolarHBondContact O-CG 3.3Å; V337-Q341 PolarHBondContact O-N 2.88Å; V337-Q341 VanDerWaalsContact O-N 3.08Å; A338-Q341 WeakPolarHBondContact O-CB 3.4Å; A338-Q341 PolarHBondContact O-N 3.22Å; A338-Q341 VanDerWaalsContact O-N 3.16Å; L339-Q341 VanDerWaalsContact C-N 3.31Å; L339-Q341 PolarHBondContact O-N 3.33Å; Q341-C343 PolarHBondContact O-N 2.92Å; Q341-T344 WeakPolarHBondContact O-CB 3.37Å; Q341-T344 WeakPolarHBondContact O-CG2 3.5Å; Q341-T344 PolarHBondContact O-N 2.95Å; Q341-T344 PolarHBondContact O-OG1 3.5Å; Q341-F347 WeakPolarHBondContact O-CB 3.49Å
342	A	98.8	Very high	98.9	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-28.2	179.3	0	0	0	0	0	113.6	A260 L282 A338 L339 K340 T344 F347	A260-A342 HydrophobicContact CB-CB 4.47Å; L282-A342 HydrophobicContact CD1-CB 4.02Å; A338-A342 PolarHBondContact O-N 2.86Å; L339-A342 WeakPolarHBondContact O-CB 3.39Å; L339-A342 PolarHBondContact O-N 2.76Å; K340-A342 VanDerWaalsContact C-N 3.31Å; A342-T344 VanDerWaalsContact C-N 3.26Å; A342-T344 PolarHBondContact O-N 2.94Å; A342-F347 HydrophobicContact CB-CD1 3.99Å; A342-F347 HydrophobicContact CB-CE1 3.95Å; A342-F347 HydrophobicContact CB-CG 4.39Å; A342-F347 HydrophobicContact CB-CZ 4.33Å; A342-F347 WeakPolarHBondContact O-CD1 3.47Å
343	C	98.6	Very high	98.9	Very high	48 Å²	48	39.8 Å²	39.8	32%	0.324	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-3	175.4	-58.5	0	0	0	0	114.5	A126 L339 K340 Q341	A126-C343 VanDerWaalsContact CA-SG 3.51Å; L339-C343 PolarHBondContact O-N 2.77Å; L339-C343 PolarHBondContact O-SG 3.24Å; K340-C343 PolarHBondContact O-N 2.91Å; Q341-C343 PolarHBondContact O-N 2.92Å
344	T	98.8	Very high	98.9	Very high	46 Å²	46	39.2 Å²	39.2	28%	0.282	20%	0.201	S	C	.	.	S	Bend	trans	-85.8	151.8	-174.8	66	0	0	0	0	112.6	Q341 A342 M346 F347 R348	Q341-T344 WeakPolarHBondContact O-CB 3.37Å; Q341-T344 WeakPolarHBondContact O-CG2 3.5Å; Q341-T344 PolarHBondContact O-N 2.95Å; Q341-T344 PolarHBondContact O-OG1 3.5Å; A342-T344 VanDerWaalsContact C-N 3.26Å; A342-T344 PolarHBondContact O-N 2.94Å; T344-M346 PolarHBondContact O-N 3.36Å; T344-F347 PolarHBondContact O-N 2.9Å; T344-F347 PolarHBondContact OG1-N 3.49Å; T344-R348 PolarHBondContact O-N 2.94Å
345	P	98.8	Very high	98.9	Very high	108 Å²	108	40.6 Å²	40.6	70%	0.701	21%	0.209	S	C	*	.	H	α-helix	trans	-55.2	-37.7	171.2	-26.6	35.1	0	0	0	112.9	F347 R348 E349	P345-F347 VanDerWaalsContact C-N 3.29Å; P345-F347 PolarHBondContact O-N 3.38Å; P345-R348 WeakPolarHBondContact O-CB 3.47Å; P345-R348 PolarHBondContact O-N 3.25Å; P345-R348 VanDerWaalsContact O-N 3.14Å; P345-E349 PolarHBondContact O-N 2.87Å
346	M	98.6	Very high	98.9	Very high	107 Å²	107	44.8 Å²	44.8	53%	0.527	23%	0.227	S	C	.	.	H	α-helix	trans	-57.2	-41.7	176.1	-179.6	-79.9	-68.5	0	0	111.9	T344 R348 E349 Y350	T344-M346 PolarHBondContact O-N 3.36Å; M346-R348 VanDerWaalsContact C-N 3.33Å; M346-R348 PolarHBondContact O-N 3.1Å; M346-E349 PolarHBondContact O-N 2.66Å; M346-Y350 WeakPolarHBondContact O-CB 3.29Å; M346-Y350 PolarHBondContact O-N 2.95Å
347	F	98.9	Very high	98.9	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.013	23%	0.225	C	C	.	.	H	α-helix	trans	-70.5	-31.2	179.9	-169.8	-95.6	0	0	0	112.8	G257 A261 T281 R283 Q341 A342 T344 P345 Y350 S351	G257-F347 WeakPolarHBondContact O-CE1 3.4Å; A261-F347 HydrophobicContact CB-CD1 4.34Å; T281-F347 WeakPolarHBondContact O-CZ 3.12Å; R283-F347 HydrophobicContact CB-CE2 4.48Å; Q341-F347 WeakPolarHBondContact O-CB 3.49Å; A342-F347 HydrophobicContact CB-CD1 3.99Å; A342-F347 HydrophobicContact CB-CE1 3.95Å; A342-F347 HydrophobicContact CB-CG 4.39Å; A342-F347 HydrophobicContact CB-CZ 4.33Å; A342-F347 WeakPolarHBondContact O-CD1 3.47Å; T344-F347 PolarHBondContact O-N 2.9Å; T344-F347 PolarHBondContact OG1-N 3.49Å; P345-F347 VanDerWaalsContact C-N 3.29Å; P345-F347 PolarHBondContact O-N 3.38Å; F347-Y350 AromaticContact CD2-CD1 3.95Å; F347-Y350 HydrophobicContact CD2-CD1 3.95Å; F347-Y350 AromaticContact CE2-CD1 3.86Å; F347-Y350 HydrophobicContact CE2-CD1 3.86Å; F347-Y350 HydrophobicContact CE2-CE1 4.01Å; F347-Y350 HydrophobicContact CZ-CD1 4.35Å; F347-Y350 HydrophobicContact CZ-CE1 4.37Å; F347-S351 WeakPolarHBondContact O-CB 3.25Å; F347-S351 PolarHBondContact O-N 3.46Å; F347-S351 PolarHBondContact O-OG 2.96Å
348	R	98.9	Very high	98.9	Very high	104 Å²	104	42.8 Å²	42.8	39%	0.392	21%	0.214	S	C	.	.	H	α-helix	trans	-65.2	-46.7	170.3	178.8	174	170.1	85	-0.5	111.5	A261 K262 V263 T344 P345 M346 Y350 S351 L352	A261-R348 HydrophobicContact CB-CB 4.46Å; A261-R348 PolarHBondContact O-NH1 3.27Å; K262-R348 PolarHBondContact O-NH1 2.95Å; V263-R348 HydrophobicContact CG1-CG 4.41Å; T344-R348 PolarHBondContact O-N 2.94Å; P345-R348 WeakPolarHBondContact O-CB 3.47Å; P345-R348 PolarHBondContact O-N 3.25Å; P345-R348 VanDerWaalsContact O-N 3.14Å; M346-R348 VanDerWaalsContact C-N 3.33Å; M346-R348 PolarHBondContact O-N 3.1Å; R348-Y350 PolarHBondContact O-N 3.32Å; R348-S351 PolarHBondContact O-N 2.91Å; R348-S351 VanDerWaalsContact O-N 3.15Å; R348-L352 HydrophobicContact CG-CD1 4.4Å; R348-L352 WeakPolarHBondContact O-CG 3.42Å; R348-L352 PolarHBondContact O-N 2.95Å
349	E	98.9	Very high	98.9	Very high	118 Å²	118	47.3 Å²	47.3	55%	0.551	23%	0.231	S	C	*	.	H	α-helix	trans	-61.6	-42.5	175.8	-69.5	-52.4	125	0	0	112.1	P345 M346 S351 L352 Q353	P345-E349 PolarHBondContact O-N 2.87Å; M346-E349 PolarHBondContact O-N 2.66Å; E349-S351 VanDerWaalsContact C-N 3.33Å; E349-S351 PolarHBondContact O-N 2.88Å; E349-L352 PolarHBondContact O-N 3.16Å; E349-Q353 WeakPolarHBondContact O-CB 3.37Å; E349-Q353 PolarHBondContact O-N 3.01Å
350	Y	98.9	Very high	98.9	Very high	18 Å²	18	47.6 Å²	47.6	7%	0.071	23%	0.232	C	C	.	.	H	α-helix	trans	-54	-49.4	170.5	161.5	-105.7	0	0	0	111.5	N78 M346 F347 R348 L352 Q353 V354 P429 T432 S433	N78-Y350 PolarHBondContact ND2-OH 3.31Å; M346-Y350 WeakPolarHBondContact O-CB 3.29Å; M346-Y350 PolarHBondContact O-N 2.95Å; F347-Y350 AromaticContact CD2-CD1 3.95Å; F347-Y350 HydrophobicContact CD2-CD1 3.95Å; F347-Y350 AromaticContact CE2-CD1 3.86Å; F347-Y350 HydrophobicContact CE2-CD1 3.86Å; F347-Y350 HydrophobicContact CE2-CE1 4.01Å; F347-Y350 HydrophobicContact CZ-CD1 4.35Å; F347-Y350 HydrophobicContact CZ-CE1 4.37Å; R348-Y350 PolarHBondContact O-N 3.32Å; Y350-L352 PolarHBondContact O-N 3.47Å; Y350-Q353 WeakPolarHBondContact O-CB 3.47Å; Y350-Q353 PolarHBondContact O-N 2.97Å; Y350-Q353 VanDerWaalsContact O-N 3.17Å; Y350-V354 HydrophobicContact CD2-CG2 4.22Å; Y350-V354 HydrophobicContact CE1-CG2 4.15Å; Y350-V354 HydrophobicContact CE2-CG2 3.69Å; Y350-V354 WeakPolarHBondContact O-CG2 3.44Å; Y350-V354 PolarHBondContact O-N 3.17Å; Y350-P429 PolarHBondContact OH-O 2.98Å; Y350-T432 HydrophobicContact CD2-CG2 3.94Å; Y350-T432 HydrophobicContact CE2-CG2 3.91Å; Y350-S433 WeakPolarHBondContact CE2-OG 3.34Å; Y350-S433 PolarHBondContact OH-OG 3.09Å; Y350-S433 VanDerWaalsContact OH-OG 3.13Å
351	S	98.9	Very high	98.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.1	-35.5	-177.7	-59.4	0	0	0	0	112.7	A261 F347 R348 E349 V354 L355	A261-S351 VanDerWaalsContact CB-OG 3.28Å; A261-S351 WeakPolarHBondContact CB-OG 3.43Å; F347-S351 WeakPolarHBondContact O-CB 3.25Å; F347-S351 PolarHBondContact O-N 3.46Å; F347-S351 PolarHBondContact O-OG 2.96Å; R348-S351 PolarHBondContact O-N 2.91Å; R348-S351 VanDerWaalsContact O-N 3.15Å; E349-S351 VanDerWaalsContact C-N 3.33Å; E349-S351 PolarHBondContact O-N 2.88Å; S351-V354 PolarHBondContact O-N 3.26Å; S351-L355 PolarHBondContact O-N 2.65Å
352	L	98.9	Very high	98.9	Very high	54 Å²	54	40.7 Å²	40.7	28%	0.283	20%	0.202	S	C	.	.	H	α-helix	trans	-62.7	-44.2	170	-73.7	171	0	0	0	110.9	V263 R348 E349 Y350 V354 L355 K356	V263-L352 HydrophobicContact CB-CD2 4.14Å; V263-L352 HydrophobicContact CG1-CD2 3.51Å; V263-L352 HydrophobicContact CG1-CG 3.68Å; R348-L352 HydrophobicContact CG-CD1 4.4Å; R348-L352 WeakPolarHBondContact O-CG 3.42Å; R348-L352 PolarHBondContact O-N 2.95Å; E349-L352 PolarHBondContact O-N 3.16Å; Y350-L352 PolarHBondContact O-N 3.47Å; L352-V354 VanDerWaalsContact C-N 3.3Å; L352-V354 PolarHBondContact O-N 2.73Å; L352-L355 PolarHBondContact O-N 3.05Å; L352-K356 WeakPolarHBondContact O-CG 3.39Å; L352-K356 PolarHBondContact O-N 3.49Å
353	Q	98.9	Very high	98.9	Very high	21 Å²	21	43.6 Å²	43.6	10%	0.098	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-36.8	177	-167.2	64	54.7	0	0	111.8	E349 Y350 L355 K356 N357 T432 E438	E349-Q353 WeakPolarHBondContact O-CB 3.37Å; E349-Q353 PolarHBondContact O-N 3.01Å; Y350-Q353 WeakPolarHBondContact O-CB 3.47Å; Y350-Q353 PolarHBondContact O-N 2.97Å; Y350-Q353 VanDerWaalsContact O-N 3.17Å; Q353-L355 VanDerWaalsContact C-N 3.32Å; Q353-L355 PolarHBondContact O-N 2.74Å; Q353-K356 PolarHBondContact O-N 3.37Å; Q353-N357 PolarHBondContact NE2-OD1 3.03Å; Q353-N357 VanDerWaalsContact O-CB 3.23Å; Q353-N357 WeakPolarHBondContact O-CB 3.19Å; Q353-N357 PolarHBondContact O-N 3.02Å; Q353-N357 PolarHBondContact O-ND2 3.23Å; Q353-T432 HydrophobicContact CB-CG2 3.89Å; Q353-T432 HydrophobicContact CG-CG2 3.79Å; Q353-E438 PolarHBondContact NE2-OE1 2.97Å; Q353-E438 PolarHBondContact NE2-OE2 3.44Å
354	V	98.9	Very high	98.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-58.3	-44.5	174.1	169.1	0	0	0	0	111.1	L258 Y350 S351 L352 A358 H380 A428 P429 T432	L258-V354 HydrophobicContact CD2-CG1 4.29Å; Y350-V354 HydrophobicContact CD2-CG2 4.22Å; Y350-V354 HydrophobicContact CE1-CG2 4.15Å; Y350-V354 HydrophobicContact CE2-CG2 3.69Å; Y350-V354 WeakPolarHBondContact O-CG2 3.44Å; Y350-V354 PolarHBondContact O-N 3.17Å; S351-V354 PolarHBondContact O-N 3.26Å; L352-V354 VanDerWaalsContact C-N 3.3Å; L352-V354 PolarHBondContact O-N 2.73Å; V354-A358 WeakPolarHBondContact O-CB 3.38Å; V354-A358 PolarHBondContact O-N 2.88Å; V354-H380 HydrophobicContact CG1-CB 3.41Å; V354-H380 VanDerWaalsContact CG1-CB 3.41Å; V354-A428 HydrophobicContact CG1-CB 4.29Å; V354-P429 HydrophobicContact CG1-CG 4.2Å; V354-T432 HydrophobicContact CB-CG2 4.5Å; V354-T432 HydrophobicContact CG2-CG2 3.66Å
355	L	98.9	Very high	98.9	Very high	30 Å²	30	39.3 Å²	39.3	16%	0.157	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-44.8	177.8	-64.1	-178.2	0	0	0	112	L258 V263 I264 S351 L352 Q353 N357 A358 R359	L258-L355 HydrophobicContact CD1-CD2 4.06Å; L258-L355 HydrophobicContact CD2-CD2 4.25Å; L258-L355 HydrophobicContact CD2-CG 4.45Å; V263-L355 HydrophobicContact CB-CD1 3.88Å; V263-L355 HydrophobicContact CG2-CD1 3.77Å; V263-L355 HydrophobicContact CG2-CG 4.45Å; I264-L355 HydrophobicContact CG2-CD1 4.25Å; S351-L355 PolarHBondContact O-N 2.65Å; L352-L355 PolarHBondContact O-N 3.05Å; Q353-L355 VanDerWaalsContact C-N 3.32Å; Q353-L355 PolarHBondContact O-N 2.74Å; L355-N357 VanDerWaalsContact C-N 3.33Å; L355-N357 PolarHBondContact O-N 3.41Å; L355-A358 PolarHBondContact O-N 3.18Å; L355-R359 PolarHBondContact O-N 3.09Å
356	K	98.9	Very high	98.9	Very high	89 Å²	89	37.7 Å²	37.7	39%	0.387	17%	0.174	S	C	.	.	H	α-helix	trans	-61.6	-41.8	177.6	-68.4	-172.1	-63.3	138.8	0	111.9	L352 Q353 R359 A360 E438	L352-K356 WeakPolarHBondContact O-CG 3.39Å; L352-K356 PolarHBondContact O-N 3.49Å; Q353-K356 PolarHBondContact O-N 3.37Å; K356-R359 PolarHBondContact O-N 2.86Å; K356-A360 WeakPolarHBondContact O-CB 3.42Å; K356-A360 PolarHBondContact O-N 3.21Å; K356-E438 HydrophobicContact CB-CG 4.23Å; K356-E438 WeakPolarHBondContact CD-OE1 3.48Å; K356-E438 WeakPolarHBondContact CE-OE1 3.36Å; K356-E438 IonicContact NZ-OE1 3.31Å; K356-E438 PolarHBondContact NZ-OE1 3.32Å; K356-E438 IonicContact NZ-OE2 2.65Å
357	N	98.9	Very high	98.9	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.8	-42.7	177	-75.2	-7	0	0	0	112.2	Q353 L355 R359 A360 M361 A428 T432 F436 R437 E438 F441	Q353-N357 PolarHBondContact NE2-OD1 3.03Å; Q353-N357 VanDerWaalsContact O-CB 3.23Å; Q353-N357 WeakPolarHBondContact O-CB 3.19Å; Q353-N357 PolarHBondContact O-N 3.02Å; Q353-N357 PolarHBondContact O-ND2 3.23Å; L355-N357 VanDerWaalsContact C-N 3.33Å; L355-N357 PolarHBondContact O-N 3.41Å; N357-R359 VanDerWaalsContact C-N 3.29Å; N357-R359 PolarHBondContact O-N 3.27Å; N357-A360 PolarHBondContact O-N 3.31Å; N357-M361 WeakPolarHBondContact O-CB 3.45Å; N357-M361 PolarHBondContact O-N 3.05Å; N357-A428 HydrophobicContact CB-CB 4.04Å; N357-T432 PolarHBondContact ND2-OG1 2.81Å; N357-F436 PolarHBondContact ND2-O 3.05Å; N357-R437 WeakPolarHBondContact OD1-CA 3.49Å; N357-E438 PolarHBondContact OD1-N 2.88Å; N357-F441 HydrophobicContact CB-CD1 4.44Å; N357-F441 HydrophobicContact CB-CD2 3.48Å; N357-F441 VanDerWaalsContact CB-CD2 3.48Å; N357-F441 HydrophobicContact CB-CE1 4.43Å; N357-F441 HydrophobicContact CB-CE2 3.49Å; N357-F441 VanDerWaalsContact CB-CE2 3.49Å; N357-F441 HydrophobicContact CB-CG 3.97Å; N357-F441 HydrophobicContact CB-CZ 3.97Å; N357-F441 VanDerWaalsContact CG-CD2 3.41Å; N357-F441 VanDerWaalsContact CG-CE2 3.49Å; N357-F441 VanDerWaalsContact ND2-CE2 3.26Å; N357-F441 WeakPolarHBondContact ND2-CE2 3.4Å
358	A	98.9	Very high	98.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-37.9	175	0	0	0	0	0	111.9	V354 L355 A362 T377 N379 A428	V354-A358 WeakPolarHBondContact O-CB 3.38Å; V354-A358 PolarHBondContact O-N 2.88Å; L355-A358 PolarHBondContact O-N 3.18Å; A358-A362 WeakPolarHBondContact O-CB 3.4Å; A358-A362 PolarHBondContact O-N 2.98Å; A358-T377 HydrophobicContact CB-CG2 4.19Å; A358-N379 VanDerWaalsContact CB-O 3.3Å; A358-N379 WeakPolarHBondContact CB-O 3.35Å; A358-A428 HydrophobicContact CB-CB 4.16Å
359	R	98.9	Very high	98.9	Very high	99 Å²	99	41.2 Å²	41.2	37%	0.374	20%	0.204	S	C	.	.	H	α-helix	trans	-65.8	-49.1	172.5	-78.3	-69.8	-173.4	164.2	-1.5	112.5	L355 K356 N357 M361 A362 D363 T377 D378	L355-R359 PolarHBondContact O-N 3.09Å; K356-R359 PolarHBondContact O-N 2.86Å; N357-R359 VanDerWaalsContact C-N 3.29Å; N357-R359 PolarHBondContact O-N 3.27Å; R359-M361 VanDerWaalsContact C-N 3.27Å; R359-M361 PolarHBondContact O-N 2.65Å; R359-A362 WeakPolarHBondContact O-CB 3.48Å; R359-A362 PolarHBondContact O-N 3.21Å; R359-D363 PolarHBondContact O-N 3.14Å; R359-T377 PolarHBondContact NE-O 2.8Å; R359-T377 PolarHBondContact NH2-O 2.98Å; R359-D378 IonicContact CZ-OD1 2.71Å; R359-D378 IonicContact NH2-OD1 3.07Å; R359-D378 PolarHBondContact NH2-OD1 3.1Å
360	A	98.9	Very high	98.9	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-57.8	-40.4	176.5	0	0	0	0	0	112.2	K356 N357 A364 E438	K356-A360 WeakPolarHBondContact O-CB 3.42Å; K356-A360 PolarHBondContact O-N 3.21Å; N357-A360 PolarHBondContact O-N 3.31Å; A360-A364 VanDerWaalsContact O-CB 3.31Å; A360-A364 WeakPolarHBondContact O-CB 3.48Å; A360-A364 PolarHBondContact O-N 3.39Å; A360-E438 HydrophobicContact CB-CB 3.84Å; A360-E438 HydrophobicContact CB-CG 4.08Å
361	M	98.9	Very high	98.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-45.6	173.4	-178.3	169.4	61	0	0	112	N357 R359 L365 V382 L426 F441 V445	N357-M361 WeakPolarHBondContact O-CB 3.45Å; N357-M361 PolarHBondContact O-N 3.05Å; R359-M361 VanDerWaalsContact C-N 3.27Å; R359-M361 PolarHBondContact O-N 2.65Å; M361-L365 HydrophobicContact CG-CD1 3.97Å; M361-L365 WeakPolarHBondContact O-CB 3.25Å; M361-L365 WeakPolarHBondContact O-CD1 3.46Å; M361-L365 VanDerWaalsContact O-CG 3.23Å; M361-L365 WeakPolarHBondContact O-CG 3.37Å; M361-L365 PolarHBondContact O-N 2.94Å; M361-V382 HydrophobicContact CE-CB 4.31Å; M361-V382 HydrophobicContact CE-CG2 3.96Å; M361-L426 HydrophobicContact CE-CB 3.84Å; M361-L426 HydrophobicContact SD-CB 3.99Å; M361-L426 HydrophobicContact SD-CD1 4.29Å; M361-F441 HydrophobicContact CB-CD1 3.98Å; M361-F441 HydrophobicContact CG-CD1 4.43Å; M361-F441 HydrophobicContact SD-CD1 4.02Å; M361-F441 HydrophobicContact SD-CE1 4.22Å; M361-V445 HydrophobicContact CB-CG2 4.34Å; M361-V445 HydrophobicContact CG-CG2 3.71Å
362	A	98.9	Very high	98.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-47.2	177.1	0	0	0	0	0	111.8	A358 R359 L365 L366 L372 T377 V382	A358-A362 WeakPolarHBondContact O-CB 3.4Å; A358-A362 PolarHBondContact O-N 2.98Å; R359-A362 WeakPolarHBondContact O-CB 3.48Å; R359-A362 PolarHBondContact O-N 3.21Å; A362-L365 PolarHBondContact O-N 3.32Å; A362-L366 WeakPolarHBondContact O-CG 3.44Å; A362-L366 PolarHBondContact O-N 3.49Å; A362-L372 HydrophobicContact CB-CD1 3.68Å; A362-T377 HydrophobicContact CB-CG2 4.25Å; A362-V382 HydrophobicContact CB-CG2 3.9Å
363	D	98.9	Very high	98.7	Very high	64 Å²	64	36.2 Å²	36.2	34%	0.342	19%	0.187	S	C	.	.	H	α-helix	trans	-63.5	-46.7	-178.6	-62.9	-20.7	0	0	0	110.7	R359 L365 L366 E367	R359-D363 PolarHBondContact O-N 3.14Å; D363-L365 VanDerWaalsContact C-N 3.31Å; D363-L365 PolarHBondContact O-N 3.33Å; D363-L366 PolarHBondContact O-N 3.09Å; D363-L366 VanDerWaalsContact O-N 3.15Å; D363-E367 WeakPolarHBondContact O-CB 3.22Å; D363-E367 VanDerWaalsContact O-CG 3.28Å; D363-E367 WeakPolarHBondContact O-CG 3.42Å; D363-E367 PolarHBondContact O-N 3.01Å
364	A	98.9	Very high	98.6	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-34.8	177	0	0	0	0	0	113.2	A360 R368 R442 V445	A360-A364 VanDerWaalsContact O-CB 3.31Å; A360-A364 WeakPolarHBondContact O-CB 3.48Å; A360-A364 PolarHBondContact O-N 3.39Å; A364-R368 WeakPolarHBondContact O-CG 3.44Å; A364-R368 PolarHBondContact O-N 2.91Å; A364-R442 HydrophobicContact CB-CG 4.17Å; A364-V445 HydrophobicContact CB-CB 4.04Å; A364-V445 HydrophobicContact CB-CG1 3.91Å; A364-V445 HydrophobicContact CB-CG2 4.12Å
365	L	98.9	Very high	98.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-66.5	-43.5	173.5	-76.4	163.5	0	0	0	111.1	M361 A362 D363 R368 G369 Y370 L372 V382 V384 L426 V445	M361-L365 HydrophobicContact CG-CD1 3.97Å; M361-L365 WeakPolarHBondContact O-CB 3.25Å; M361-L365 WeakPolarHBondContact O-CD1 3.46Å; M361-L365 VanDerWaalsContact O-CG 3.23Å; M361-L365 WeakPolarHBondContact O-CG 3.37Å; M361-L365 PolarHBondContact O-N 2.94Å; A362-L365 PolarHBondContact O-N 3.32Å; D363-L365 VanDerWaalsContact C-N 3.31Å; D363-L365 PolarHBondContact O-N 3.33Å; L365-R368 CarbonylContact O-C 3.02Å; L365-R368 PolarHBondContact O-N 3.48Å; L365-G369 PolarHBondContact O-N 2.8Å; L365-Y370 HydrophobicContact CB-CD2 4.47Å; L365-Y370 HydrophobicContact CD2-CD1 4.46Å; L365-Y370 HydrophobicContact CD2-CD2 3.83Å; L365-Y370 HydrophobicContact CD2-CE2 4.21Å; L365-Y370 HydrophobicContact CD2-CG 3.98Å; L365-Y370 WeakPolarHBondContact O-CB 3.36Å; L365-Y370 WeakPolarHBondContact O-CD2 3.39Å; L365-Y370 PolarHBondContact O-N 2.78Å; L365-L372 HydrophobicContact CB-CD2 4.32Å; L365-L372 HydrophobicContact CD1-CD2 4.34Å; L365-V382 HydrophobicContact CD1-CG1 4.36Å; L365-V384 HydrophobicContact CD1-CG2 3.82Å; L365-L426 HydrophobicContact CD1-CD1 4.07Å; L365-V445 HydrophobicContact CD2-CG1 3.88Å; L365-V445 HydrophobicContact CD2-CG2 4.4Å; L365-V445 HydrophobicContact CG-CG1 3.95Å; L365-V445 HydrophobicContact CG-CG2 3.97Å
366	L	98.8	Very high	98.6	Very high	73 Å²	73	37.5 Å²	37.5	38%	0.382	21%	0.209	S	C	.	.	H	α-helix	trans	-64	-43.6	176.6	-70	170	0	0	0	111.7	A362 D363 R368 G369 L372	A362-L366 WeakPolarHBondContact O-CG 3.44Å; A362-L366 PolarHBondContact O-N 3.49Å; D363-L366 PolarHBondContact O-N 3.09Å; D363-L366 VanDerWaalsContact O-N 3.15Å; L366-R368 PolarHBondContact O-N 3.28Å; L366-G369 PolarHBondContact O-N 3.28Å; L366-L372 HydrophobicContact CD1-CD1 4.07Å; L366-L372 HydrophobicContact CD2-CD1 4.07Å; L366-L372 HydrophobicContact CD2-CG 3.87Å; L366-L372 HydrophobicContact CG-CD1 3.8Å; L366-L372 HydrophobicContact CG-CG 4.12Å
367	E	98.8	Very high	98.5	Very high	136 Å²	136	33.3 Å²	33.3	64%	0.636	19%	0.19	S	C	*	.	H	α-helix	trans	-55.9	-31.1	174.5	-72.9	165.4	-164.8	0	0	111.9	D363 R442	D363-E367 WeakPolarHBondContact O-CB 3.22Å; D363-E367 VanDerWaalsContact O-CG 3.28Å; D363-E367 WeakPolarHBondContact O-CG 3.42Å; D363-E367 PolarHBondContact O-N 3.01Å; E367-R442 IonicContact OE1-NH1 3.27Å; E367-R442 PolarHBondContact OE1-NH1 3.41Å; E367-R442 IonicContact OE2-NH1 3.52Å; E367-R442 PolarHBondContact OE2-NH1 3.47Å
368	R	98.6	Very high	98.5	Very high	99 Å²	99	36 Å²	36	37%	0.374	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	10.5	176.5	-69.3	176.2	173.7	-75.9	-10.4	114.4	A364 L365 L366 Y370 D446 D449	A364-R368 WeakPolarHBondContact O-CG 3.44Å; A364-R368 PolarHBondContact O-N 2.91Å; L365-R368 CarbonylContact O-C 3.02Å; L365-R368 PolarHBondContact O-N 3.48Å; L366-R368 PolarHBondContact O-N 3.28Å; R368-Y370 HydrophobicContact CB-CD2 3.96Å; R368-Y370 HydrophobicContact CB-CE2 4.03Å; R368-D446 IonicContact CZ-OD1 2.8Å; R368-D446 IonicContact NE-OD1 3.62Å; R368-D446 IonicContact NH2-OD1 3.08Å; R368-D446 PolarHBondContact NH2-OD1 2.99Å; R368-D449 IonicContact CZ-OD2 2.82Å; R368-D449 IonicContact NH1-OD2 2.87Å; R368-D449 PolarHBondContact NH1-OD2 3.1Å
369	G	98.4	Very high	98.5	Very high	53 Å²	53	36.2 Å²	36.2	55%	0.546	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	20.8	175.4	0	0	0	0	0	114.9	L365 L366	L365-G369 PolarHBondContact O-N 2.8Å; L366-G369 PolarHBondContact O-N 3.28Å
370	Y	98.7	Very high	98.5	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.027	19%	0.188	C	C	.	.			trans	-76.6	153.3	167.4	-70.3	-94.5	0	0	0	110.9	L365 R368 V384 L386 K389 D449 V452	L365-Y370 HydrophobicContact CB-CD2 4.47Å; L365-Y370 HydrophobicContact CD2-CD1 4.46Å; L365-Y370 HydrophobicContact CD2-CD2 3.83Å; L365-Y370 HydrophobicContact CD2-CE2 4.21Å; L365-Y370 HydrophobicContact CD2-CG 3.98Å; L365-Y370 WeakPolarHBondContact O-CB 3.36Å; L365-Y370 WeakPolarHBondContact O-CD2 3.39Å; L365-Y370 PolarHBondContact O-N 2.78Å; R368-Y370 HydrophobicContact CB-CD2 3.96Å; R368-Y370 HydrophobicContact CB-CE2 4.03Å; Y370-V384 HydrophobicContact CD1-CG1 3.62Å; Y370-V384 HydrophobicContact CE1-CG1 4.49Å; Y370-V384 HydrophobicContact CG-CG1 4.26Å; Y370-L386 HydrophobicContact CD1-CD2 3.89Å; Y370-L386 HydrophobicContact CE1-CD2 3.7Å; Y370-K389 HydrophobicContact CD1-CD 3.69Å; Y370-K389 HydrophobicContact CD2-CD 4.42Å; Y370-K389 HydrophobicContact CE1-CD 3.39Å; Y370-K389 HydrophobicContact CE2-CD 4.16Å; Y370-K389 HydrophobicContact CG-CD 4.2Å; Y370-K389 VanDerWaalsContact CZ-NZ 3.3Å; Y370-K389 PolarHBondContact OH-NZ 3.31Å; Y370-K389 VanDerWaalsContact OH-NZ 3.08Å; Y370-D449 HydrophobicContact CE2-CB 4.36Å; Y370-D449 WeakPolarHBondContact CE2-OD1 3.38Å; Y370-D449 WeakPolarHBondContact OH-CA 3.48Å; Y370-D449 PolarHBondContact OH-OD1 2.83Å; Y370-V452 HydrophobicContact CE1-CG1 4.15Å; Y370-V452 HydrophobicContact CE1-CG2 4.19Å; Y370-V452 VanDerWaalsContact OH-CB 3.23Å; Y370-V452 WeakPolarHBondContact OH-CB 3.37Å; Y370-V452 VanDerWaalsContact OH-CG1 3.3Å; Y370-V452 WeakPolarHBondContact OH-CG1 3.22Å
371	S	98.2	Very high	98.5	Very high	47 Å²	47	31.4 Å²	31.4	33%	0.329	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137.5	170.5	-66.6	0	0	0	0	110.1	D385	S371-D385 PolarHBondContact O-N 3.26Å
372	L	98.6	Very high	98.5	Very high	16 Å²	16	31.4 Å²	31.4	8%	0.084	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.4	177.2	-55.7	-174.1	0	0	0	109.8	A362 L365 L366 S374 G375 V382 L383 V384	A362-L372 HydrophobicContact CB-CD1 3.68Å; L365-L372 HydrophobicContact CB-CD2 4.32Å; L365-L372 HydrophobicContact CD1-CD2 4.34Å; L366-L372 HydrophobicContact CD1-CD1 4.07Å; L366-L372 HydrophobicContact CD2-CD1 4.07Å; L366-L372 HydrophobicContact CD2-CG 3.87Å; L366-L372 HydrophobicContact CG-CD1 3.8Å; L366-L372 HydrophobicContact CG-CG 4.12Å; L372-S374 PolarHBondContact O-N 3.05Å; L372-G375 WeakPolarHBondContact O-CA 3.35Å; L372-G375 PolarHBondContact O-N 3.29Å; L372-V382 HydrophobicContact CD1-CG1 3.84Å; L372-V382 HydrophobicContact CD2-CG1 3.51Å; L372-V382 HydrophobicContact CG-CG1 4.18Å; L372-L383 CarbonylContact C-O 3.18Å; L372-L383 WeakPolarHBondContact CA-O 3.46Å; L372-V384 HydrophobicContact CD2-CB 4.4Å; L372-V384 HydrophobicContact CD2-CG2 3.91Å
373	V	97.4	Very high	98.5	Very high	16 Å²	16	32 Å²	32	10%	0.097	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-59.7	133.3	172.7	-179.9	0	0	0	0	108.5	G375 L383 C412 P413	V373-G375 PolarHBondContact O-N 3.07Å; V373-L383 HydrophobicContact CB-CB 3.88Å; V373-L383 HydrophobicContact CB-CD1 4.4Å; V373-L383 HydrophobicContact CG2-CB 4.03Å; V373-L383 PolarHBondContact N-O 3.19Å; V373-C412 HydrophobicContact CG2-CB 4.35Å; V373-P413 HydrophobicContact CG1-CG 3.81Å
374	S	97.1	Very high	98.5	Very high	26 Å²	26	29.1 Å²	29.1	18%	0.182	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	62.4	9	-171	80.4	0	0	0	0	115.7	T201 R230 L372 G376	T201-S374 WeakPolarHBondContact O-CA 3.07Å; R230-S374 WeakPolarHBondContact CG-OG 3.18Å; R230-S374 PolarHBondContact NE-OG 3.14Å; R230-S374 PolarHBondContact NH2-O 3Å; L372-S374 PolarHBondContact O-N 3.05Å; S374-G376 VanDerWaalsContact C-N 3.32Å; S374-G376 PolarHBondContact O-N 2.89Å; S374-G376 PolarHBondContact OG-O 3.43Å
375	G	97.9	Very high	98.4	Very high	50 Å²	50	29.9 Å²	29.9	52%	0.515	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	76.8	5.2	174.2	0	0	0	0	0	116.1	L372 V373	L372-G375 WeakPolarHBondContact O-CA 3.35Å; L372-G375 PolarHBondContact O-N 3.29Å; V373-G375 PolarHBondContact O-N 3.07Å
376	G	98.2	Very high	98.4	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.031	18%	0.179	C	C	.	.	S	Bend	trans	163.5	-156.4	-177.5	0	0	0	0	0	112.5	A229 S374	A229-G376 WeakPolarHBondContact CB-O 3.27Å; S374-G376 VanDerWaalsContact C-N 3.32Å; S374-G376 PolarHBondContact O-N 2.89Å; S374-G376 PolarHBondContact OG-O 3.43Å
377	T	98.8	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.			trans	-144.6	146.6	-178.8	-177.5	0	0	0	0	112.9	A229 A358 R359 A362 N379 L381 V382	A229-T377 CarbonylContact O-C 3.58Å; A229-T377 VanDerWaalsContact O-CA 3.31Å; A229-T377 WeakPolarHBondContact O-CA 3.35Å; A229-T377 PolarHBondContact O-OG1 3.3Å; A358-T377 HydrophobicContact CB-CG2 4.19Å; R359-T377 PolarHBondContact NE-O 2.8Å; R359-T377 PolarHBondContact NH2-O 2.98Å; A362-T377 HydrophobicContact CB-CG2 4.25Å; T377-N379 PolarHBondContact OG1-N 2.82Å; T377-N379 VanDerWaalsContact OG1-N 3.11Å; T377-N379 PolarHBondContact OG1-O 2.92Å; T377-N379 PolarHBondContact OG1-OD1 3.45Å; T377-L381 WeakPolarHBondContact CB-O 3.5Å; T377-L381 PolarHBondContact OG1-O 3.4Å; T377-V382 HydrophobicContact CG2-CG2 3.81Å
378	D	98.8	Very high	98.2	Very high	57 Å²	57	28.4 Å²	28.4	31%	0.305	17%	0.172	S	C	.	.	S	Bend	trans	-116	12.7	169.6	-60.2	-45.9	0	0	0	112	A229 R230 L231 R359	A229-D378 PolarHBondContact O-N 3.11Å; R230-D378 WeakPolarHBondContact CD-OD2 3.42Å; R230-D378 IonicContact CZ-OD2 2.67Å; R230-D378 IonicContact NE-OD2 3.93Å; R230-D378 IonicContact NH1-OD1 3.7Å; R230-D378 PolarHBondContact NH1-OD1 2.91Å; R230-D378 VanDerWaalsContact NH1-OD1 3.15Å; R230-D378 IonicContact NH1-OD2 4Å; R230-D378 PolarHBondContact NH1-OD2 3.15Å; L231-D378 HydrophobicContact CD1-CB 4.18Å; L231-D378 HydrophobicContact CG-CB 3.92Å; R359-D378 IonicContact CZ-OD1 2.71Å; R359-D378 IonicContact NH2-OD1 3.07Å; R359-D378 PolarHBondContact NH2-OD1 3.1Å
379	N	98.8	Very high	98.1	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.027	17%	0.165	C	C	.	.	S	Bend	trans	-141.1	-155.6	-179	67.8	28.1	0	0	0	111.6	Y228 L258 A358 T377 L381	Y228-N379 PolarHBondContact O-ND2 3.45Å; L258-N379 HydrophobicContact CD1-CB 4.24Å; A358-N379 VanDerWaalsContact CB-O 3.3Å; A358-N379 WeakPolarHBondContact CB-O 3.35Å; T377-N379 PolarHBondContact OG1-N 2.82Å; T377-N379 VanDerWaalsContact OG1-N 3.11Å; T377-N379 PolarHBondContact OG1-O 2.92Å; T377-N379 PolarHBondContact OG1-OD1 3.45Å; N379-L381 WeakPolarHBondContact OD1-CG 3.49Å; N379-L381 PolarHBondContact OD1-N 2.82Å; N379-L381 PolarHBondContact OD1-O 3.34Å
380	H	98.9	Very high	98	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-84.9	-2.9	-172.8	68.9	-69.4	0	0	0	115	A75 H254 L258 T281 V354 G427 A428 P429	A75-H380 PolarHBondContact O-CD2 3.44Å; A75-H380 PolarHBondContact O-NE2 3.16Å; H254-H380 AromaticContact ND1-CE1 3.86Å; H254-H380 AromaticContact ND1-NE2 3.58Å; H254-H380 PolarHBondContact O-CE1 3.42Å; L258-H380 HydrophobicContact CD1-CB 4.19Å; T281-H380 HydrophobicContact CG2-CB 4.38Å; V354-H380 HydrophobicContact CG1-CB 3.41Å; V354-H380 VanDerWaalsContact CG1-CB 3.41Å; H380-G427 WeakPolarHBondContact O-CA 3.35Å; H380-A428 PolarHBondContact O-N 3.1Å; H380-P429 HydrophobicContact CB-CG 3.89Å; H380-P429 WeakPolarHBondContact CD2-CG 3.5Å
381	L	98.9	Very high	97.9	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	158.4	-175.1	72.8	78.9	0	0	0	113.1	A75 A229 T377 N379 L383 L426	A75-L381 HydrophobicContact CB-CB 3.77Å; A75-L381 HydrophobicContact CB-CD2 4.09Å; A229-L381 HydrophobicContact CB-CD1 4.03Å; T377-L381 WeakPolarHBondContact CB-O 3.5Å; T377-L381 PolarHBondContact OG1-O 3.4Å; N379-L381 WeakPolarHBondContact OD1-CG 3.49Å; N379-L381 PolarHBondContact OD1-N 2.82Å; N379-L381 PolarHBondContact OD1-O 3.34Å; L381-L383 HydrophobicContact CD1-CD2 4.26Å; L381-L383 HydrophobicContact CD1-CG 4.02Å; L381-L426 CarbonylContact C-O 3.53Å; L381-L426 WeakPolarHBondContact CA-O 3.4Å; L381-L426 WeakPolarHBondContact CB-O 3.24Å
382	V	98.7	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.9	174.4	179.8	0	0	0	0	108.7	M361 A362 L365 L372 T377 V384 L426	M361-V382 HydrophobicContact CE-CB 4.31Å; M361-V382 HydrophobicContact CE-CG2 3.96Å; A362-V382 HydrophobicContact CB-CG2 3.9Å; L365-V382 HydrophobicContact CD1-CG1 4.36Å; L372-V382 HydrophobicContact CD1-CG1 3.84Å; L372-V382 HydrophobicContact CD2-CG1 3.51Å; L372-V382 HydrophobicContact CG-CG1 4.18Å; T377-V382 HydrophobicContact CG2-CG2 3.81Å; V382-V384 HydrophobicContact CG1-CG2 4.29Å; V382-L426 PolarHBondContact N-O 3.1Å; V382-L426 PolarHBondContact O-N 3.43Å
383	L	98.6	Very high	97.6	Very high	13 Å²	13	22.9 Å²	22.9	7%	0.068	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	105	174.7	-65.4	174.7	0	0	0	109.2	A227 L372 V373 L381 R425	A227-L383 HydrophobicContact CB-CD2 4.07Å; A227-L383 WeakPolarHBondContact O-CD1 3.45Å; L372-L383 CarbonylContact C-O 3.18Å; L372-L383 WeakPolarHBondContact CA-O 3.46Å; V373-L383 HydrophobicContact CB-CB 3.88Å; V373-L383 HydrophobicContact CB-CD1 4.4Å; V373-L383 HydrophobicContact CG2-CB 4.03Å; V373-L383 PolarHBondContact N-O 3.19Å; L381-L383 HydrophobicContact CD1-CD2 4.26Å; L381-L383 HydrophobicContact CD1-CG 4.02Å; L383-R425 HydrophobicContact CD2-CB 3.78Å; L383-R425 HydrophobicContact CD2-CG 3.7Å
384	V	98.6	Very high	97.5	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.018	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.5	179.1	-173.6	0	0	0	0	108.9	L365 Y370 L372 V382 L386 G423 L424 L426	L365-V384 HydrophobicContact CD1-CG2 3.82Å; Y370-V384 HydrophobicContact CD1-CG1 3.62Å; Y370-V384 HydrophobicContact CE1-CG1 4.49Å; Y370-V384 HydrophobicContact CG-CG1 4.26Å; L372-V384 HydrophobicContact CD2-CB 4.4Å; L372-V384 HydrophobicContact CD2-CG2 3.91Å; V382-V384 HydrophobicContact CG1-CG2 4.29Å; V384-L386 HydrophobicContact CG1-CD2 3.79Å; V384-L386 HydrophobicContact CG1-CG 4.28Å; V384-G423 CarbonylContact O-C 3.58Å; V384-G423 WeakPolarHBondContact O-CA 3.24Å; V384-L424 HydrophobicContact CB-CB 4.45Å; V384-L424 PolarHBondContact N-O 2.82Å; V384-L424 PolarHBondContact O-N 3.4Å; V384-L426 HydrophobicContact CG2-CD1 3.83Å; V384-L426 HydrophobicContact CG2-CG 4.49Å
385	D	97.8	Very high	97.6	Very high	21 Å²	21	22.3 Å²	22.3	11%	0.112	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	112.8	167.2	-176.4	-3.2	0	0	0	108.9	S371 R387 P388	S371-D385 PolarHBondContact O-N 3.26Å; D385-R387 VanDerWaalsContact CG-NE 3.31Å; D385-R387 VanDerWaalsContact OD1-CB 3.24Å; D385-R387 WeakPolarHBondContact OD1-CB 3.49Å; D385-R387 WeakPolarHBondContact OD1-CG 3.41Å; D385-R387 IonicContact OD1-CZ 3.71Å; D385-R387 PolarHBondContact OD1-N 3.08Å; D385-R387 IonicContact OD1-NE 2.83Å; D385-R387 PolarHBondContact OD1-NE 3.09Å; D385-R387 IonicContact OD1-NH2 3.84Å; D385-R387 IonicContact OD2-CZ 3.28Å; D385-R387 VanDerWaalsContact OD2-CZ 3.28Å; D385-R387 IonicContact OD2-NE 3.08Å; D385-R387 PolarHBondContact OD2-NE 2.92Å; D385-R387 VanDerWaalsContact OD2-NE 3.08Å; D385-R387 IonicContact OD2-NH2 2.68Å; D385-R387 PolarHBondContact OD2-NH2 2.92Å; D385-P388 WeakPolarHBondContact O-CD 3.41Å
386	L	97.9	Very high	97.6	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.111	C	C	.	.			trans	-90.2	-8.7	-177.9	-62.5	171.7	0	0	0	112.7	Y370 V384 P388 K389 G390 L391 A396 G422 L424 V452	Y370-L386 HydrophobicContact CD1-CD2 3.89Å; Y370-L386 HydrophobicContact CE1-CD2 3.7Å; V384-L386 HydrophobicContact CG1-CD2 3.79Å; V384-L386 HydrophobicContact CG1-CG 4.28Å; L386-P388 VanDerWaalsContact C-N 3.35Å; L386-K389 PolarHBondContact O-N 3.25Å; L386-G390 PolarHBondContact O-N 3.33Å; L386-L391 CarbonylContact C-O 3.47Å; L386-L391 HydrophobicContact CB-CB 4.45Å; L386-L391 VanDerWaalsContact CB-O 3.27Å; L386-L391 WeakPolarHBondContact CB-O 3.44Å; L386-L391 PolarHBondContact O-N 3.38Å; L386-L391 VanDerWaalsContact O-O 3.06Å; L386-A396 HydrophobicContact CD1-CB 3.49Å; L386-A396 VanDerWaalsContact CD1-CB 3.49Å; L386-G422 WeakPolarHBondContact CB-O 3.34Å; L386-G422 PolarHBondContact N-O 3.04Å; L386-L424 HydrophobicContact CD1-CB 4.19Å; L386-V452 HydrophobicContact CD2-CG2 4.46Å
387	R	95.5	Very high	97.6	Very high	96 Å²	96	21.8 Å²	21.8	36%	0.362	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-56.7	-41.8	-178.6	-58.9	171.8	-67.2	-170.7	8.9	112.3	D385 K389 G390 P413 D415	D385-R387 VanDerWaalsContact CG-NE 3.31Å; D385-R387 VanDerWaalsContact OD1-CB 3.24Å; D385-R387 WeakPolarHBondContact OD1-CB 3.49Å; D385-R387 WeakPolarHBondContact OD1-CG 3.41Å; D385-R387 IonicContact OD1-CZ 3.71Å; D385-R387 PolarHBondContact OD1-N 3.08Å; D385-R387 IonicContact OD1-NE 2.83Å; D385-R387 PolarHBondContact OD1-NE 3.09Å; D385-R387 IonicContact OD1-NH2 3.84Å; D385-R387 IonicContact OD2-CZ 3.28Å; D385-R387 VanDerWaalsContact OD2-CZ 3.28Å; D385-R387 IonicContact OD2-NE 3.08Å; D385-R387 PolarHBondContact OD2-NE 2.92Å; D385-R387 VanDerWaalsContact OD2-NE 3.08Å; D385-R387 IonicContact OD2-NH2 2.68Å; D385-R387 PolarHBondContact OD2-NH2 2.92Å; R387-K389 VanDerWaalsContact C-N 3.28Å; R387-K389 PolarHBondContact O-N 3.45Å; R387-G390 WeakPolarHBondContact O-CA 3.39Å; R387-G390 PolarHBondContact O-N 2.95Å; R387-P413 PolarHBondContact NH1-O 2.86Å; R387-P413 VanDerWaalsContact NH1-O 3.14Å; R387-P413 PolarHBondContact NH2-O 3.37Å; R387-P413 VanDerWaalsContact NH2-O 3.1Å; R387-D415 WeakPolarHBondContact CD-OD1 3.48Å; R387-D415 IonicContact CZ-OD1 3.58Å; R387-D415 IonicContact NE-OD1 3.75Å; R387-D415 IonicContact NH1-OD1 3.92Å; R387-D415 PolarHBondContact NH1-OD1 3.02Å
388	P	96.9	Very high	97.5	Very high	81 Å²	81	24.6 Å²	24.6	53%	0.526	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-63	-29.2	176.8	-26.1	38.7	0	0	0	114.2	D385 L386 G390	D385-P388 WeakPolarHBondContact O-CD 3.41Å; L386-P388 VanDerWaalsContact C-N 3.35Å; P388-G390 VanDerWaalsContact C-N 3.27Å
389	K	97.1	Very high	97.5	Very high	52 Å²	52	21.9 Å²	21.9	23%	0.226	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-81.8	-5.2	172.9	-61.8	-161.3	91.4	-179.7	0	112.7	Y370 L386 R387 D449 V452 L456	Y370-K389 HydrophobicContact CD1-CD 3.69Å; Y370-K389 HydrophobicContact CD2-CD 4.42Å; Y370-K389 HydrophobicContact CE1-CD 3.39Å; Y370-K389 HydrophobicContact CE2-CD 4.16Å; Y370-K389 HydrophobicContact CG-CD 4.2Å; Y370-K389 VanDerWaalsContact CZ-NZ 3.3Å; Y370-K389 PolarHBondContact OH-NZ 3.31Å; Y370-K389 VanDerWaalsContact OH-NZ 3.08Å; L386-K389 PolarHBondContact O-N 3.25Å; R387-K389 VanDerWaalsContact C-N 3.28Å; R387-K389 PolarHBondContact O-N 3.45Å; K389-D449 IonicContact NZ-OD1 3.03Å; K389-D449 PolarHBondContact NZ-OD1 3.05Å; K389-V452 HydrophobicContact CD-CG1 4.46Å; K389-L456 WeakPolarHBondContact O-CD2 3.24Å
390	G	96.3	Very high	97.5	Very high	38 Å²	38	21.6 Å²	21.6	39%	0.392	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	23	-178.6	0	0	0	0	0	113.9	L386 R387 P388 K459	L386-G390 PolarHBondContact O-N 3.33Å; R387-G390 WeakPolarHBondContact O-CA 3.39Å; R387-G390 PolarHBondContact O-N 2.95Å; P388-G390 VanDerWaalsContact C-N 3.27Å; G390-K459 WeakPolarHBondContact O-CD 3.26Å; G390-K459 WeakPolarHBondContact O-CE 3.29Å; G390-K459 PolarHBondContact O-NZ 3.22Å
391	L	96.7	Very high	97.5	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	14%	0.135	C	C	.	.			trans	-119.5	157.5	173.2	-160.3	62.7	0	0	0	110.2	L386 R395 A396 V452 L456 K459	L386-L391 CarbonylContact C-O 3.47Å; L386-L391 HydrophobicContact CB-CB 4.45Å; L386-L391 VanDerWaalsContact CB-O 3.27Å; L386-L391 WeakPolarHBondContact CB-O 3.44Å; L386-L391 PolarHBondContact O-N 3.38Å; L386-L391 VanDerWaalsContact O-O 3.06Å; L391-R395 HydrophobicContact CD1-CB 3.9Å; L391-R395 HydrophobicContact CG-CB 4.35Å; L391-A396 HydrophobicContact CD2-CB 3.9Å; L391-V452 HydrophobicContact CD2-CG1 3.98Å; L391-L456 HydrophobicContact CB-CD2 3.86Å; L391-L456 HydrophobicContact CD1-CD2 4.34Å; L391-K459 HydrophobicContact CD1-CB 4.36Å; L391-K459 HydrophobicContact CD1-CD 3.87Å
392	D	95.9	Very high	97.5	Very high	13 Å²	13	27.9 Å²	27.9	7%	0.07	14%	0.143	C	C	.	.			trans	-111.8	159	172.9	61.4	95.4	0	0	0	110.8	A394 R395 A396 T420	D392-A394 VanDerWaalsContact C-N 3.27Å; D392-A394 PolarHBondContact O-N 2.89Å; D392-A394 WeakPolarHBondContact OD1-CB 3.45Å; D392-A394 PolarHBondContact OD1-N 2.92Å; D392-R395 PolarHBondContact O-N 3.18Å; D392-R395 PolarHBondContact OD1-N 3.05Å; D392-R395 IonicContact OD1-NH1 2.63Å; D392-R395 VanDerWaalsContact OD2-CD 3.3Å; D392-R395 WeakPolarHBondContact OD2-CD 3.33Å; D392-R395 WeakPolarHBondContact OD2-CG 3.44Å; D392-R395 IonicContact OD2-CZ 3.16Å; D392-R395 IonicContact OD2-NE 3.65Å; D392-R395 IonicContact OD2-NH1 3.79Å; D392-R395 PolarHBondContact OD2-NH1 3.27Å; D392-A396 PolarHBondContact O-N 2.7Å; D392-A396 VanDerWaalsContact O-N 3.09Å; D392-T420 HydrophobicContact CB-CG2 3.91Å
393	G	95.9	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-32.2	-177.2	0	0	0	0	0	113.6	E397 P421 G423	G393-E397 WeakPolarHBondContact O-CB 3.29Å; G393-E397 PolarHBondContact O-N 2.9Å; G393-P421 PolarHBondContact N-O 3.4Å; G393-G423 WeakPolarHBondContact CA-O 3.39Å
394	A	95.3	Very high	97.5	Very high	6 Å²	6	28 Å²	28	5%	0.05	15%	0.145	C	C	.	.	H	α-helix	trans	-70.3	-36.1	-178.7	0	0	0	0	0	112.6	D392 K409 L465	D392-A394 VanDerWaalsContact C-N 3.27Å; D392-A394 PolarHBondContact O-N 2.89Å; D392-A394 WeakPolarHBondContact OD1-CB 3.45Å; D392-A394 PolarHBondContact OD1-N 2.92Å; A394-K409 HydrophobicContact CB-CD 3.93Å; A394-L465 HydrophobicContact CB-CD1 4.32Å; A394-L465 HydrophobicContact CB-CD2 4.16Å
395	R	97.4	Very high	97.5	Very high	24 Å²	24	27.9 Å²	27.9	9%	0.091	14%	0.144	C	C	.	.	H	α-helix	trans	-71.4	-47.1	172.4	-72.5	-173.4	175	85.3	-2.4	111.8	L391 D392 R398 V399 A463 L465 F468	L391-R395 HydrophobicContact CD1-CB 3.9Å; L391-R395 HydrophobicContact CG-CB 4.35Å; D392-R395 PolarHBondContact O-N 3.18Å; D392-R395 PolarHBondContact OD1-N 3.05Å; D392-R395 IonicContact OD1-NH1 2.63Å; D392-R395 VanDerWaalsContact OD2-CD 3.3Å; D392-R395 WeakPolarHBondContact OD2-CD 3.33Å; D392-R395 WeakPolarHBondContact OD2-CG 3.44Å; D392-R395 IonicContact OD2-CZ 3.16Å; D392-R395 IonicContact OD2-NE 3.65Å; D392-R395 IonicContact OD2-NH1 3.79Å; D392-R395 PolarHBondContact OD2-NH1 3.27Å; R395-R398 PolarHBondContact O-N 3.32Å; R395-V399 WeakPolarHBondContact O-CG2 3.35Å; R395-V399 PolarHBondContact O-N 3.41Å; R395-A463 PolarHBondContact NH2-O 3.27Å; R395-L465 HydrophobicContact CG-CD1 3.75Å; R395-F468 HydrophobicContact CB-CD1 4.11Å; R395-F468 HydrophobicContact CB-CE1 3.58Å; R395-F468 HydrophobicContact CB-CE2 4.2Å; R395-F468 HydrophobicContact CB-CZ 3.66Å; R395-F468 HydrophobicContact CG-CD1 3.71Å; R395-F468 HydrophobicContact CG-CD2 4.06Å; R395-F468 HydrophobicContact CG-CE1 3.73Å; R395-F468 HydrophobicContact CG-CE2 4.1Å; R395-F468 HydrophobicContact CG-CG 3.88Å; R395-F468 HydrophobicContact CG-CZ 3.95Å
396	A	98.3	Very high	97.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-48.9	179.7	0	0	0	0	0	112.2	L386 L391 D392 R398 V399 L400	L386-A396 HydrophobicContact CD1-CB 3.49Å; L386-A396 VanDerWaalsContact CD1-CB 3.49Å; L391-A396 HydrophobicContact CD2-CB 3.9Å; D392-A396 PolarHBondContact O-N 2.7Å; D392-A396 VanDerWaalsContact O-N 3.09Å; A396-R398 VanDerWaalsContact C-N 3.26Å; A396-R398 PolarHBondContact O-N 3.29Å; A396-V399 PolarHBondContact O-N 2.85Å; A396-V399 VanDerWaalsContact O-N 3.13Å; A396-L400 VanDerWaalsContact O-CG 3.3Å; A396-L400 WeakPolarHBondContact O-CG 3.49Å; A396-L400 PolarHBondContact O-N 2.9Å
397	E	98	Very high	97.5	Very high	41 Å²	41	28.8 Å²	28.8	19%	0.192	15%	0.152	C	C	.	.	H	α-helix	trans	-51.1	-46.2	176.8	178	-172.7	-100.6	0	0	111.3	G393 L400 E401 N408 K409 L424	G393-E397 WeakPolarHBondContact O-CB 3.29Å; G393-E397 PolarHBondContact O-N 2.9Å; E397-L400 PolarHBondContact O-N 3.14Å; E397-E401 WeakPolarHBondContact O-CB 3.43Å; E397-E401 PolarHBondContact O-N 2.92Å; E397-N408 WeakPolarHBondContact OE1-CA 3.41Å; E397-K409 HydrophobicContact CB-CB 4.44Å; E397-K409 VanDerWaalsContact CD-NZ 3.29Å; E397-K409 WeakPolarHBondContact OE1-CG 3.49Å; E397-K409 PolarHBondContact OE1-N 2.65Å; E397-K409 IonicContact OE1-NZ 3.99Å; E397-K409 PolarHBondContact OE1-NZ 3.44Å; E397-K409 VanDerWaalsContact OE1-NZ 3.07Å; E397-K409 IonicContact OE2-NZ 2.66Å; E397-K409 PolarHBondContact OE2-NZ 3.45Å; E397-L424 HydrophobicContact CB-CD1 4.24Å
398	R	98.2	Very high	97.4	Very high	58 Å²	58	25.5 Å²	25.5	22%	0.219	14%	0.141	C	C	.	.	H	α-helix	trans	-68.7	-38	-178.6	-178.6	56.2	179.2	173.9	4.5	113.2	R395 A396 E401 L402 K469 L472	R395-R398 PolarHBondContact O-N 3.32Å; A396-R398 VanDerWaalsContact C-N 3.26Å; A396-R398 PolarHBondContact O-N 3.29Å; R398-E401 VanDerWaalsContact CD-OE2 3.27Å; R398-E401 WeakPolarHBondContact CD-OE2 3.31Å; R398-E401 IonicContact CZ-OE2 3.36Å; R398-E401 IonicContact NE-OE2 3.65Å; R398-E401 IonicContact NH1-OE1 3.03Å; R398-E401 PolarHBondContact NH1-OE1 3.42Å; R398-E401 IonicContact NH1-OE2 3.05Å; R398-E401 PolarHBondContact NH1-OE2 2.96Å; R398-L402 WeakPolarHBondContact O-CG 3.4Å; R398-L402 PolarHBondContact O-N 3.08Å; R398-K469 HydrophobicContact CG-CG 4.22Å; R398-L472 HydrophobicContact CG-CD1 3.87Å
399	V	98.8	Very high	97.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-47.2	176.9	174.4	0	0	0	0	110.2	R395 A396 E401 L402 V403 G451 I454 F468 L472 L482	R395-V399 WeakPolarHBondContact O-CG2 3.35Å; R395-V399 PolarHBondContact O-N 3.41Å; A396-V399 PolarHBondContact O-N 2.85Å; A396-V399 VanDerWaalsContact O-N 3.13Å; V399-E401 VanDerWaalsContact C-N 3.32Å; V399-E401 PolarHBondContact O-N 3.44Å; V399-L402 PolarHBondContact O-N 3.49Å; V399-V403 PolarHBondContact O-N 2.88Å; V399-G451 WeakPolarHBondContact CG1-O 3.44Å; V399-I454 HydrophobicContact CG1-CB 4.35Å; V399-I454 HydrophobicContact CG1-CG2 4.27Å; V399-F468 HydrophobicContact CG2-CE1 3.95Å; V399-F468 HydrophobicContact CG2-CZ 3.82Å; V399-L472 HydrophobicContact CG2-CD1 3.95Å; V399-L472 HydrophobicContact CG2-CD2 3.78Å; V399-L482 HydrophobicContact CG1-CD2 3.86Å
400	L	98.8	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-41.6	179.2	-67.1	173.9	0	0	0	111.7	A396 E397 L402 V403 S404 I405 L424	A396-L400 VanDerWaalsContact O-CG 3.3Å; A396-L400 WeakPolarHBondContact O-CG 3.49Å; A396-L400 PolarHBondContact O-N 2.9Å; E397-L400 PolarHBondContact O-N 3.14Å; L400-L402 VanDerWaalsContact C-N 3.3Å; L400-L402 PolarHBondContact O-N 3.21Å; L400-V403 CarbonylContact O-C 3.53Å; L400-V403 VanDerWaalsContact O-CG2 3.22Å; L400-V403 WeakPolarHBondContact O-CG2 3.24Å; L400-V403 PolarHBondContact O-N 2.86Å; L400-S404 PolarHBondContact O-N 3.45Å; L400-I405 CarbonylContact C-O 3.32Å; L400-I405 HydrophobicContact CB-CB 4.06Å; L400-I405 HydrophobicContact CB-CG2 4.29Å; L400-I405 WeakPolarHBondContact CB-O 3.47Å; L400-I405 HydrophobicContact CD2-CB 4.35Å; L400-I405 HydrophobicContact CD2-CD1 4.1Å; L400-I405 HydrophobicContact CD2-CG2 4.35Å; L400-I405 PolarHBondContact O-N 3.08Å; L400-L424 HydrophobicContact CD1-CD2 3.53Å
401	E	98.5	Very high	96.9	Very high	98 Å²	98	23.7 Å²	23.7	46%	0.458	12%	0.118	S	C	.	.	H	α-helix	trans	-58.4	-40.9	176.1	-173.8	-167.5	178.9	0	0	112.2	E397 R398 V399 V403 S404 I405	E397-E401 WeakPolarHBondContact O-CB 3.43Å; E397-E401 PolarHBondContact O-N 2.92Å; R398-E401 VanDerWaalsContact CD-OE2 3.27Å; R398-E401 WeakPolarHBondContact CD-OE2 3.31Å; R398-E401 IonicContact CZ-OE2 3.36Å; R398-E401 IonicContact NE-OE2 3.65Å; R398-E401 IonicContact NH1-OE1 3.03Å; R398-E401 PolarHBondContact NH1-OE1 3.42Å; R398-E401 IonicContact NH1-OE2 3.05Å; R398-E401 PolarHBondContact NH1-OE2 2.96Å; V399-E401 VanDerWaalsContact C-N 3.32Å; V399-E401 PolarHBondContact O-N 3.44Å; E401-V403 PolarHBondContact O-N 2.83Å; E401-S404 PolarHBondContact O-N 3.16Å; E401-I405 PolarHBondContact N-O 2.94Å
402	L	98.7	Very high	96.4	Very high	36 Å²	36	23.6 Å²	23.6	19%	0.188	12%	0.118	C	C	.	.	H	α-helix	trans	-68.1	-17.4	179	-71.1	174.6	0	0	0	113.4	R398 V399 L400 L472 L473 L482 R486	R398-L402 WeakPolarHBondContact O-CG 3.4Å; R398-L402 PolarHBondContact O-N 3.08Å; V399-L402 PolarHBondContact O-N 3.49Å; L400-L402 VanDerWaalsContact C-N 3.3Å; L400-L402 PolarHBondContact O-N 3.21Å; L402-L472 HydrophobicContact CD1-CB 3.85Å; L402-L472 HydrophobicContact CD1-CD1 3.96Å; L402-L472 HydrophobicContact CD1-CG 4.42Å; L402-L473 HydrophobicContact CD1-CD2 4.26Å; L402-L473 HydrophobicContact CD2-CD2 4.07Å; L402-L482 HydrophobicContact CD1-CD1 3.96Å; L402-R486 WeakPolarHBondContact O-CD 3.42Å
403	V	98.8	Very high	96	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	22.5	177.3	-56.1	0	0	0	0	112.8	V399 L400 E401 I405 L482 L485 R486 V489	V399-V403 PolarHBondContact O-N 2.88Å; L400-V403 CarbonylContact O-C 3.53Å; L400-V403 VanDerWaalsContact O-CG2 3.22Å; L400-V403 WeakPolarHBondContact O-CG2 3.24Å; L400-V403 PolarHBondContact O-N 2.86Å; E401-V403 PolarHBondContact O-N 2.83Å; V403-I405 VanDerWaalsContact C-N 3.26Å; V403-I405 HydrophobicContact CG2-CD1 4.13Å; V403-I405 HydrophobicContact CG2-CG1 4.18Å; V403-I405 PolarHBondContact O-N 3.44Å; V403-L482 HydrophobicContact CG1-CB 4.22Å; V403-L482 HydrophobicContact CG1-CD2 3.67Å; V403-L482 WeakPolarHBondContact CG1-O 3.5Å; V403-L485 HydrophobicContact CB-CD2 4.26Å; V403-L485 HydrophobicContact CB-CG 4.03Å; V403-L485 HydrophobicContact CG1-CB 4.07Å; V403-L485 HydrophobicContact CG1-CD2 4Å; V403-L485 HydrophobicContact CG1-CG 3.99Å; V403-L485 HydrophobicContact CG2-CD2 4.06Å; V403-L485 HydrophobicContact CG2-CG 4.23Å; V403-R486 HydrophobicContact CB-CB 4.22Å; V403-R486 HydrophobicContact CG1-CB 4.35Å; V403-V489 WeakPolarHBondContact O-CB 3.41Å; V403-V489 VanDerWaalsContact O-CG1 3.27Å; V403-V489 WeakPolarHBondContact O-CG1 3.31Å
404	S	98.8	Very high	95.2	Very high	15 Å²	15	26.7 Å²	26.7	11%	0.105	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	27.2	176.5	-60.7	0	0	0	0	114.2	G70 L71 L400 E401 E490	G70-S404 CarbonylContact C-O 3.59Å; G70-S404 WeakPolarHBondContact CA-O 3.48Å; L71-S404 PolarHBondContact N-O 3.39Å; L400-S404 PolarHBondContact O-N 3.45Å; E401-S404 PolarHBondContact O-N 3.16Å; S404-E490 PolarHBondContact OG-OE1 2.95Å
405	I	98.9	Very high	94.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.5	169.2	-56.8	177.7	0	0	0	108.3	L71 L73 L400 E401 V403 F447 I448 V489	L71-I405 HydrophobicContact CB-CG1 4.22Å; L71-I405 HydrophobicContact CD1-CD1 4.42Å; L71-I405 HydrophobicContact CD1-CG1 4.16Å; L73-I405 HydrophobicContact CD1-CG2 3.7Å; L400-I405 CarbonylContact C-O 3.32Å; L400-I405 HydrophobicContact CB-CB 4.06Å; L400-I405 HydrophobicContact CB-CG2 4.29Å; L400-I405 WeakPolarHBondContact CB-O 3.47Å; L400-I405 HydrophobicContact CD2-CB 4.35Å; L400-I405 HydrophobicContact CD2-CD1 4.1Å; L400-I405 HydrophobicContact CD2-CG2 4.35Å; L400-I405 PolarHBondContact O-N 3.08Å; E401-I405 PolarHBondContact N-O 2.94Å; V403-I405 VanDerWaalsContact C-N 3.26Å; V403-I405 HydrophobicContact CG2-CD1 4.13Å; V403-I405 HydrophobicContact CG2-CG1 4.18Å; V403-I405 PolarHBondContact O-N 3.44Å; I405-F447 HydrophobicContact CD1-CB 3.76Å; I405-I448 HydrophobicContact CD1-CG1 4.5Å; I405-I448 HydrophobicContact CG2-CG1 4.48Å; I405-V489 HydrophobicContact CD1-CG2 4.09Å; I405-V489 HydrophobicContact CG1-CG1 4Å; I405-V489 HydrophobicContact CG1-CG2 4.27Å
406	T	98.1	Very high	93.2	Very high	32 Å²	32	39.4 Å²	39.4	20%	0.196	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.7	-179.5	43.1	0	0	0	0	110.4	L71 E72 L73 I74	L71-T406 PolarHBondContact O-N 3.43Å; L71-T406 VanDerWaalsContact O-N 3.07Å; E72-T406 WeakPolarHBondContact CA-OG1 3.46Å; E72-T406 WeakPolarHBondContact OE1-CB 3.46Å; E72-T406 PolarHBondContact OE1-OG1 3.25Å; E72-T406 PolarHBondContact OE2-OG1 3.11Å; L73-T406 CarbonylContact C-O 3.47Å; L73-T406 VanDerWaalsContact CA-O 3.29Å; L73-T406 WeakPolarHBondContact CA-O 3.36Å; L73-T406 WeakPolarHBondContact CB-O 3.38Å; L73-T406 PolarHBondContact N-O 3.13Å; I74-T406 PolarHBondContact N-O 3.07Å
407	A	97	Very high	91.9	Very high	10 Å²	10	41.7 Å²	41.7	8%	0.083	21%	0.214	C	C	.	.			trans	-132.8	172.9	174.1	0	0	0	0	0	108.8	I74 L424 L426	I74-A407 WeakPolarHBondContact CD1-O 3.37Å; A407-L424 HydrophobicContact CB-CD1 4.11Å; A407-L424 HydrophobicContact CB-CD2 4.06Å; A407-L424 HydrophobicContact CB-CG 4.08Å; A407-L426 HydrophobicContact CB-CD2 3.55Å
408	N	94.1	Very high	90.7	Very high	27 Å²	27	42.7 Å²	42.7	14%	0.144	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.9	175.4	73	-94.7	0	0	0	111.7	I74 E397 R425	I74-N408 HydrophobicContact CD1-CB 3.67Å; E397-N408 WeakPolarHBondContact OE1-CA 3.41Å; N408-R425 PolarHBondContact ND2-NE 3.01Å; N408-R425 PolarHBondContact O-N 3.42Å; N408-R425 VanDerWaalsContact OD1-CZ 3.3Å; N408-R425 PolarHBondContact OD1-NE 3.23Å; N408-R425 PolarHBondContact OD1-NH2 2.95Å
409	K	94.1	Very high	89.4	Confident	79 Å²	79	46.8 Å²	46.8	34%	0.343	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	145	167.9	72.8	-169.6	160.8	-68.3	0	110	A394 E397 P421 G423	A394-K409 HydrophobicContact CB-CD 3.93Å; E397-K409 HydrophobicContact CB-CB 4.44Å; E397-K409 VanDerWaalsContact CD-NZ 3.29Å; E397-K409 WeakPolarHBondContact OE1-CG 3.49Å; E397-K409 PolarHBondContact OE1-N 2.65Å; E397-K409 IonicContact OE1-NZ 3.99Å; E397-K409 PolarHBondContact OE1-NZ 3.44Å; E397-K409 VanDerWaalsContact OE1-NZ 3.07Å; E397-K409 IonicContact OE2-NZ 2.66Å; E397-K409 PolarHBondContact OE2-NZ 3.45Å; K409-P421 HydrophobicContact CB-CG 3.8Å; K409-P421 HydrophobicContact CD-CG 3.91Å; K409-P421 HydrophobicContact CG-CG 3.7Å; K409-G423 WeakPolarHBondContact CA-O 3.27Å
410	N	93.9	Very high	88.6	Confident	27 Å²	27	49.7 Å²	49.7	14%	0.144	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	139	-177.3	-160.2	93.6	0	0	0	110.3	A227 P421 G423 R425	A227-N410 WeakPolarHBondContact CB-OD1 3.44Å; N410-P421 VanDerWaalsContact C-CB 3.45Å; N410-P421 WeakPolarHBondContact O-CB 3.3Å; N410-G423 PolarHBondContact N-O 3.48Å; N410-G423 CarbonylContact O-C 3.56Å; N410-G423 VanDerWaalsContact O-C 3.32Å; N410-G423 WeakPolarHBondContact O-CA 3.49Å; N410-G423 PolarHBondContact O-N 3.26Å; N410-G423 VanDerWaalsContact O-N 3.08Å; N410-R425 HydrophobicContact CB-CB 3.97Å
411	T	90.3	Very high	88.2	Confident	26 Å²	26	49.9 Å²	49.9	16%	0.16	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-61.4	140.8	173.9	-51.1	0	0	0	0	110.3	P167 D415	P167-T411 HydrophobicContact CB-CG2 3.85Å; P167-T411 WeakPolarHBondContact O-CB 3.42Å; T411-D415 HydrophobicContact CG2-CB 3.52Å
412	C	87.6	Confident	87.9	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.02	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-101.9	151.1	170.5	-72.2	0	0	0	0	109.9	V373 G414 D415 G423	V373-C412 HydrophobicContact CG2-CB 4.35Å; C412-G414 PolarHBondContact O-N 3.21Å; C412-D415 PolarHBondContact N-OD2 2.63Å; C412-D415 WeakPolarHBondContact O-CB 3.37Å; C412-D415 PolarHBondContact O-N 3.11Å; C412-G423 WeakPolarHBondContact SG-CA 3.33Å
413	P	87.3	Confident	87.8	Confident	19 Å²	19	43.7 Å²	43.7	12%	0.123	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	132.1	168.3	-25.6	34.1	0	0	0	111.3	L197 P199 V373 R387	L197-P413 HydrophobicContact CD1-CG 3.8Å; P199-P413 HydrophobicContact CB-CB 4.23Å; V373-P413 HydrophobicContact CG1-CG 3.81Å; R387-P413 PolarHBondContact NH1-O 2.86Å; R387-P413 VanDerWaalsContact NH1-O 3.14Å; R387-P413 PolarHBondContact NH2-O 3.37Å; R387-P413 VanDerWaalsContact NH2-O 3.1Å
414	G	79.1	Confident	87.7	Confident	59 Å²	59	43.9 Å²	43.9	61%	0.608	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.6	-2.8	-177.2	0	0	0	0	0	115.9	C412 R416	C412-G414 PolarHBondContact O-N 3.21Å; G414-R416 PolarHBondContact O-N 2.81Å
415	D	83.6	Confident	87.7	Confident	37 Å²	37	44.2 Å²	44.2	20%	0.198	25%	0.245	C	C	.	.			trans	-62.9	134.1	171.7	-81.4	-15.4	0	0	0	111.4	R387 T411 C412 G422	R387-D415 WeakPolarHBondContact CD-OD1 3.48Å; R387-D415 IonicContact CZ-OD1 3.58Å; R387-D415 IonicContact NE-OD1 3.75Å; R387-D415 IonicContact NH1-OD1 3.92Å; R387-D415 PolarHBondContact NH1-OD1 3.02Å; T411-D415 HydrophobicContact CG2-CB 3.52Å; C412-D415 PolarHBondContact N-OD2 2.63Å; C412-D415 WeakPolarHBondContact O-CB 3.37Å; C412-D415 PolarHBondContact O-N 3.11Å; D415-G422 PolarHBondContact OD2-N 2.9Å
416	R	67.3	Low	87.7	Confident	259 Å²	259	44.2 Å²	44.2	98%	0.977	25%	0.245	S	C	*	.	S	Bend	trans	-84.4	-14.7	176.1	-63.1	-177.8	-179.4	-176.9	-0.3	113.2	G414	G414-R416 PolarHBondContact O-N 2.81Å
417	S	69.4	Low	87.7	Confident	49 Å²	49	42.7 Å²	42.7	34%	0.343	24%	0.236	S	C	.	.			trans	-134.6	126.9	-173.6	178.2	0	0	0	0	111.4	I419 T420	S417-I419 VanDerWaalsContact C-N 3.29Å; S417-I419 PolarHBondContact OG-N 3.18Å; S417-I419 VanDerWaalsContact OG-N 3.16Å; S417-T420 PolarHBondContact OG-N 2.88Å
418	A	73	Confident	87.8	Confident	63 Å²	63	42.2 Å²	42.2	52%	0.521	23%	0.232	S	C	.	.	S	Bend	trans	-76.3	-17	169.8	0	0	0	0	0	112.8
419	I	71.8	Confident	88	Confident	144 Å²	144	41 Å²	41	74%	0.738	23%	0.225	S	C	*	.	S	Bend	trans	-82	-37.3	-174.7	-60.5	172.7	0	0	0	111.5	S417 P421	S417-I419 VanDerWaalsContact C-N 3.29Å; S417-I419 PolarHBondContact OG-N 3.18Å; S417-I419 VanDerWaalsContact OG-N 3.16Å; I419-P421 VanDerWaalsContact C-CD 3.46Å; I419-P421 WeakPolarHBondContact O-CD 3.11Å
420	T	81.3	Confident	88.3	Confident	61 Å²	61	37.3 Å²	37.3	37%	0.374	21%	0.209	S	C	.	.	S	Bend	trans	-123	75.2	177.8	-51	0	0	0	0	108.6	D392 S417	D392-T420 HydrophobicContact CB-CG2 3.91Å; S417-T420 PolarHBondContact OG-N 2.88Å
421	P	90.9	Very high	88.5	Confident	4 Å²	4	36 Å²	36	3%	0.026	20%	0.203	C	C	.	.			trans	-69.1	146	-176.3	29	-35.6	0	0	0	111.4	G393 K409 N410 I419 G423	G393-P421 PolarHBondContact N-O 3.4Å; K409-P421 HydrophobicContact CB-CG 3.8Å; K409-P421 HydrophobicContact CD-CG 3.91Å; K409-P421 HydrophobicContact CG-CG 3.7Å; N410-P421 VanDerWaalsContact C-CB 3.45Å; N410-P421 WeakPolarHBondContact O-CB 3.3Å; I419-P421 VanDerWaalsContact C-CD 3.46Å; I419-P421 WeakPolarHBondContact O-CD 3.11Å; P421-G423 VanDerWaalsContact C-N 3.29Å; P421-G423 PolarHBondContact O-N 3Å
422	G	92.4	Very high	88.9	Confident	4 Å²	4	35.1 Å²	35.1	4%	0.041	20%	0.197	C	C	.	.	S	Bend	trans	-77.1	-10	-178.2	0	0	0	0	0	114.7	L386 D415	L386-G422 WeakPolarHBondContact CB-O 3.34Å; L386-G422 PolarHBondContact N-O 3.04Å; D415-G422 PolarHBondContact OD2-N 2.9Å
423	G	95.3	Very high	89.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	170.4	-169.5	0	0	0	0	0	116.5	V384 G393 K409 N410 C412 P421	V384-G423 CarbonylContact O-C 3.58Å; V384-G423 WeakPolarHBondContact O-CA 3.24Å; G393-G423 WeakPolarHBondContact CA-O 3.39Å; K409-G423 WeakPolarHBondContact CA-O 3.27Å; N410-G423 PolarHBondContact N-O 3.48Å; N410-G423 CarbonylContact O-C 3.56Å; N410-G423 VanDerWaalsContact O-C 3.32Å; N410-G423 WeakPolarHBondContact O-CA 3.49Å; N410-G423 PolarHBondContact O-N 3.26Å; N410-G423 VanDerWaalsContact O-N 3.08Å; C412-G423 WeakPolarHBondContact SG-CA 3.33Å; P421-G423 VanDerWaalsContact C-N 3.29Å; P421-G423 PolarHBondContact O-N 3Å
424	L	97.8	Very high	90	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.8	175.7	-160.9	73.8	0	0	0	109.3	V384 L386 E397 L400 A407 L426	V384-L424 HydrophobicContact CB-CB 4.45Å; V384-L424 PolarHBondContact N-O 2.82Å; V384-L424 PolarHBondContact O-N 3.4Å; L386-L424 HydrophobicContact CD1-CB 4.19Å; E397-L424 HydrophobicContact CB-CD1 4.24Å; L400-L424 HydrophobicContact CD1-CD2 3.53Å; A407-L424 HydrophobicContact CB-CD1 4.11Å; A407-L424 HydrophobicContact CB-CD2 4.06Å; A407-L424 HydrophobicContact CB-CG 4.08Å; L424-L426 HydrophobicContact CD2-CD2 3.84Å; L424-L426 HydrophobicContact CD2-CG 4.42Å; L424-L426 HydrophobicContact CG-CD2 4.18Å
425	R	98.5	Very high	91	Very high	22 Å²	22	38.6 Å²	38.6	8%	0.083	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.5	175.3	-175.6	-178.8	72.8	166.3	-0.8	109.5	A75 S226 L383 N408 N410	A75-R425 HydrophobicContact CB-CG 4.22Å; S226-R425 PolarHBondContact O-NH1 2.86Å; L383-R425 HydrophobicContact CD2-CB 3.78Å; L383-R425 HydrophobicContact CD2-CG 3.7Å; N408-R425 PolarHBondContact ND2-NE 3.01Å; N408-R425 PolarHBondContact O-N 3.42Å; N408-R425 VanDerWaalsContact OD1-CZ 3.3Å; N408-R425 PolarHBondContact OD1-NE 3.23Å; N408-R425 PolarHBondContact OD1-NH2 2.95Å; N410-R425 HydrophobicContact CB-CB 3.97Å
426	L	98.8	Very high	91.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.5	-177.8	-58.1	175.6	0	0	0	109.3	L73 M361 L365 L381 V382 V384 A407 L424 I448	L73-L426 HydrophobicContact CB-CD2 4.08Å; L73-L426 HydrophobicContact CD1-CD2 4.06Å; L73-L426 CarbonylContact O-C 3.56Å; L73-L426 WeakPolarHBondContact O-CA 3.33Å; M361-L426 HydrophobicContact CE-CB 3.84Å; M361-L426 HydrophobicContact SD-CB 3.99Å; M361-L426 HydrophobicContact SD-CD1 4.29Å; L365-L426 HydrophobicContact CD1-CD1 4.07Å; L381-L426 CarbonylContact C-O 3.53Å; L381-L426 WeakPolarHBondContact CA-O 3.4Å; L381-L426 WeakPolarHBondContact CB-O 3.24Å; V382-L426 PolarHBondContact N-O 3.1Å; V382-L426 PolarHBondContact O-N 3.43Å; V384-L426 HydrophobicContact CG2-CD1 3.83Å; V384-L426 HydrophobicContact CG2-CG 4.49Å; A407-L426 HydrophobicContact CB-CD2 3.55Å; L424-L426 HydrophobicContact CD2-CD2 3.84Å; L424-L426 HydrophobicContact CD2-CG 4.42Å; L424-L426 HydrophobicContact CG-CD2 4.18Å; L426-I448 HydrophobicContact CD1-CD1 4Å
427	G	98.8	Very high	93.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.4	179.3	0	0	0	0	0	113.6	L73 H380 P429	L73-G427 PolarHBondContact O-N 2.98Å; H380-G427 WeakPolarHBondContact O-CA 3.35Å; G427-P429 VanDerWaalsContact C-CD 3.41Å
428	A	98.9	Very high	94.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-83.8	-19.3	-179.2	0	0	0	0	0	118.1	V354 N357 A358 H380 A430 T432 F441	V354-A428 HydrophobicContact CG1-CB 4.29Å; N357-A428 HydrophobicContact CB-CB 4.04Å; A358-A428 HydrophobicContact CB-CB 4.16Å; H380-A428 PolarHBondContact O-N 3.1Å; A428-A430 PolarHBondContact O-N 2.87Å; A428-T432 WeakPolarHBondContact O-CB 3.38Å; A428-T432 PolarHBondContact O-N 3.27Å; A428-T432 PolarHBondContact O-OG1 2.99Å; A428-F441 HydrophobicContact CB-CE1 3.8Å; A428-F441 HydrophobicContact CB-CZ 3.63Å
429	P	98.9	Very high	95.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-43.3	-166.6	-28.7	34.9	0	0	0	116.1	T281 Y350 V354 H380 G427 S433	T281-P429 HydrophobicContact CG2-CB 4.37Å; T281-P429 HydrophobicContact CG2-CG 3.77Å; Y350-P429 PolarHBondContact OH-O 2.98Å; V354-P429 HydrophobicContact CG1-CG 4.2Å; H380-P429 HydrophobicContact CB-CG 3.89Å; H380-P429 WeakPolarHBondContact CD2-CG 3.5Å; G427-P429 VanDerWaalsContact C-CD 3.41Å; P429-S433 PolarHBondContact O-N 2.88Å; P429-S433 PolarHBondContact O-OG 3.09Å
430	A	98.9	Very high	97.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-67.6	-52.9	-173.9	0	0	0	0	0	111.7	E72 F79 A428 T432 S433 R434	E72-A430 HydrophobicContact CB-CB 4Å; E72-A430 HydrophobicContact CG-CB 3.98Å; F79-A430 HydrophobicContact CD2-CB 4.32Å; F79-A430 WeakPolarHBondContact CD2-O 3.16Å; F79-A430 HydrophobicContact CE2-CB 3.85Å; F79-A430 HydrophobicContact CZ-CB 4.39Å; A428-A430 PolarHBondContact O-N 2.87Å; A430-T432 VanDerWaalsContact C-N 3.32Å; A430-T432 PolarHBondContact O-N 3.49Å; A430-S433 WeakPolarHBondContact O-CB 3.36Å; A430-S433 PolarHBondContact O-N 3.2Å; A430-S433 VanDerWaalsContact O-N 3.11Å; A430-R434 PolarHBondContact O-N 3.19Å
431	L	98.9	Very high	98	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-34.6	177.1	-61.7	-174.3	0	0	0	112.6	L71 L73 S433 R434 Q435 F436 F441 V444	L71-L431 HydrophobicContact CB-CD1 4.36Å; L71-L431 HydrophobicContact CD2-CD1 4.01Å; L71-L431 HydrophobicContact CD2-CD2 4.13Å; L73-L431 HydrophobicContact CD2-CD1 3.59Å; L73-L431 HydrophobicContact CD2-CG 4.36Å; L73-L431 HydrophobicContact CG-CD1 4.4Å; L431-S433 PolarHBondContact O-N 2.76Å; L431-R434 CarbonylContact O-C 3.48Å; L431-R434 WeakPolarHBondContact O-CA 3.45Å; L431-R434 WeakPolarHBondContact O-CB 3.41Å; L431-R434 PolarHBondContact O-N 3.47Å; L431-Q435 PolarHBondContact O-N 3.39Å; L431-F436 HydrophobicContact CB-CB 4.16Å; L431-F436 HydrophobicContact CB-CD1 4.06Å; L431-F436 HydrophobicContact CB-CD2 4Å; L431-F436 HydrophobicContact CB-CE1 4.46Å; L431-F436 HydrophobicContact CB-CE2 4.39Å; L431-F436 HydrophobicContact CB-CG 3.83Å; L431-F436 HydrophobicContact CD1-CD1 4.17Å; L431-F436 HydrophobicContact CD1-CE1 4.05Å; L431-F436 HydrophobicContact CD1-CZ 4.5Å; L431-F436 HydrophobicContact CD2-CE1 4.47Å; L431-F436 HydrophobicContact CD2-CE2 4.15Å; L431-F436 HydrophobicContact CD2-CZ 4.12Å; L431-F436 WeakPolarHBondContact O-CB 3.41Å; L431-F436 VanDerWaalsContact O-CD2 3.22Å; L431-F436 WeakPolarHBondContact O-CD2 3.37Å; L431-F436 PolarHBondContact O-N 3.48Å; L431-F441 HydrophobicContact CB-CE2 4.13Å; L431-F441 HydrophobicContact CB-CZ 3.81Å; L431-F441 HydrophobicContact CD1-CZ 4.4Å; L431-V444 HydrophobicContact CD1-CG2 4.04Å
432	T	98.9	Very high	98.3	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.043	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-33	174.3	-51.7	0	0	0	0	111.6	Y350 Q353 V354 N357 A428 A430 R434 Q435	Y350-T432 HydrophobicContact CD2-CG2 3.94Å; Y350-T432 HydrophobicContact CE2-CG2 3.91Å; Q353-T432 HydrophobicContact CB-CG2 3.89Å; Q353-T432 HydrophobicContact CG-CG2 3.79Å; V354-T432 HydrophobicContact CB-CG2 4.5Å; V354-T432 HydrophobicContact CG2-CG2 3.66Å; N357-T432 PolarHBondContact ND2-OG1 2.81Å; A428-T432 WeakPolarHBondContact O-CB 3.38Å; A428-T432 PolarHBondContact O-N 3.27Å; A428-T432 PolarHBondContact O-OG1 2.99Å; A430-T432 VanDerWaalsContact C-N 3.32Å; A430-T432 PolarHBondContact O-N 3.49Å; T432-R434 PolarHBondContact O-N 3.33Å; T432-Q435 WeakPolarHBondContact O-CA 3.35Å; T432-Q435 PolarHBondContact O-N 2.98Å
433	S	98.9	Very high	98.6	Very high	12 Å²	12	35 Å²	35	8%	0.084	16%	0.156	C	C	.	.	H	α-helix	trans	-67.3	-21.9	172.8	-68.6	0	0	0	0	112.8	N78 R283 Y350 P429 A430 L431	N78-S433 WeakPolarHBondContact OD1-CB 3.32Å; N78-S433 PolarHBondContact OD1-OG 3.22Å; R283-S433 WeakPolarHBondContact CD-OG 3.49Å; R283-S433 PolarHBondContact NH1-OG 2.91Å; R283-S433 VanDerWaalsContact NH1-OG 3.16Å; Y350-S433 WeakPolarHBondContact CE2-OG 3.34Å; Y350-S433 PolarHBondContact OH-OG 3.09Å; Y350-S433 VanDerWaalsContact OH-OG 3.13Å; P429-S433 PolarHBondContact O-N 2.88Å; P429-S433 PolarHBondContact O-OG 3.09Å; A430-S433 WeakPolarHBondContact O-CB 3.36Å; A430-S433 PolarHBondContact O-N 3.2Å; A430-S433 VanDerWaalsContact O-N 3.11Å; L431-S433 PolarHBondContact O-N 2.76Å
434	R	98.9	Very high	98.8	Very high	2 Å²	2	35 Å²	35	1%	0.008	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	14.5	169.4	-57.4	-171.9	66.7	-177.8	-0.6	113	Q67 C68 G70 F79 A430 L431 T432 F436 A493 F496 P497	Q67-R434 PolarHBondContact O-NH1 3.32Å; C68-R434 PolarHBondContact O-NH1 3.05Å; C68-R434 PolarHBondContact O-NH2 2.96Å; G70-R434 PolarHBondContact O-NH1 3.23Å; F79-R434 HydrophobicContact CD2-CG 3.84Å; F79-R434 HydrophobicContact CE2-CG 3.75Å; A430-R434 PolarHBondContact O-N 3.19Å; L431-R434 CarbonylContact O-C 3.48Å; L431-R434 WeakPolarHBondContact O-CA 3.45Å; L431-R434 WeakPolarHBondContact O-CB 3.41Å; L431-R434 PolarHBondContact O-N 3.47Å; T432-R434 PolarHBondContact O-N 3.33Å; R434-F436 VanDerWaalsContact C-N 3.32Å; R434-F436 HydrophobicContact CB-CD2 3.96Å; R434-F436 HydrophobicContact CB-CE2 4.06Å; R434-F436 PolarHBondContact O-N 3.4Å; R434-A493 PolarHBondContact NH2-O 3.3Å; R434-F496 HydrophobicContact CB-CB 4.22Å; R434-F496 PolarHBondContact NH2-O 3.37Å; R434-P497 VanDerWaalsContact CB-O 3.28Å; R434-P497 WeakPolarHBondContact CB-O 3.4Å; R434-P497 VanDerWaalsContact CG-O 3.31Å; R434-P497 WeakPolarHBondContact CG-O 3.43Å; R434-P497 PolarHBondContact NE-O 3.23Å; R434-P497 WeakPolarHBondContact O-CD 3.47Å
435	Q	98.9	Very high	98.9	Very high	140 Å²	140	34.9 Å²	34.9	65%	0.654	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	17.1	177.1	-51	175.3	-4.3	0	0	115.6	L431 T432 P497	L431-Q435 PolarHBondContact O-N 3.39Å; T432-Q435 WeakPolarHBondContact O-CA 3.35Å; T432-Q435 PolarHBondContact O-N 2.98Å; Q435-P497 HydrophobicContact CB-CG 4.44Å; Q435-P497 HydrophobicContact CG-CG 3.99Å
436	F	98.9	Very high	98.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.16	C	C	.	.			trans	-59.4	141.4	170.6	-78.6	-125.5	0	0	0	110.9	L71 N357 L431 R434 D440 F441 V444 F492 F496	L71-F436 HydrophobicContact CD2-CE1 3.78Å; L71-F436 HydrophobicContact CD2-CZ 3.68Å; N357-F436 PolarHBondContact ND2-O 3.05Å; L431-F436 HydrophobicContact CB-CB 4.16Å; L431-F436 HydrophobicContact CB-CD1 4.06Å; L431-F436 HydrophobicContact CB-CD2 4Å; L431-F436 HydrophobicContact CB-CE1 4.46Å; L431-F436 HydrophobicContact CB-CE2 4.39Å; L431-F436 HydrophobicContact CB-CG 3.83Å; L431-F436 HydrophobicContact CD1-CD1 4.17Å; L431-F436 HydrophobicContact CD1-CE1 4.05Å; L431-F436 HydrophobicContact CD1-CZ 4.5Å; L431-F436 HydrophobicContact CD2-CE1 4.47Å; L431-F436 HydrophobicContact CD2-CE2 4.15Å; L431-F436 HydrophobicContact CD2-CZ 4.12Å; L431-F436 WeakPolarHBondContact O-CB 3.41Å; L431-F436 VanDerWaalsContact O-CD2 3.22Å; L431-F436 WeakPolarHBondContact O-CD2 3.37Å; L431-F436 PolarHBondContact O-N 3.48Å; R434-F436 VanDerWaalsContact C-N 3.32Å; R434-F436 HydrophobicContact CB-CD2 3.96Å; R434-F436 HydrophobicContact CB-CE2 4.06Å; R434-F436 PolarHBondContact O-N 3.4Å; F436-D440 HydrophobicContact CB-CB 4.09Å; F436-D440 HydrophobicContact CD1-CB 3.52Å; F436-D440 HydrophobicContact CE1-CB 4.27Å; F436-D440 HydrophobicContact CG-CB 4.05Å; F436-F441 HydrophobicContact CB-CD2 4.03Å; F436-F441 HydrophobicContact CB-CE2 3.68Å; F436-V444 HydrophobicContact CD1-CG2 4.24Å; F436-V444 HydrophobicContact CE1-CG2 3.94Å; F436-F492 HydrophobicContact CE1-CD1 4.44Å; F436-F492 AromaticContact CE1-CE1 3.62Å; F436-F492 HydrophobicContact CE1-CE1 3.62Å; F436-F492 HydrophobicContact CE1-CZ 4.13Å; F436-F492 HydrophobicContact CZ-CE1 4.2Å; F436-F496 HydrophobicContact CD1-CE1 4.37Å; F436-F496 HydrophobicContact CD1-CZ 4.2Å; F436-F496 HydrophobicContact CD2-CB 4.22Å; F436-F496 AromaticContact CD2-CD1 3.39Å; F436-F496 HydrophobicContact CD2-CD1 3.39Å; F436-F496 HydrophobicContact CD2-CD2 4.1Å; F436-F496 AromaticContact CD2-CE1 3.63Å; F436-F496 HydrophobicContact CD2-CE1 3.63Å; F436-F496 HydrophobicContact CD2-CE2 4.31Å; F436-F496 AromaticContact CD2-CG 3.64Å; F436-F496 HydrophobicContact CD2-CG 3.64Å; F436-F496 HydrophobicContact CD2-CZ 4.09Å; F436-F496 HydrophobicContact CE1-CD2 4.29Å; F436-F496 AromaticContact CE1-CE2 3.91Å; F436-F496 HydrophobicContact CE1-CE2 3.91Å; F436-F496 HydrophobicContact CE1-CZ 4.03Å; F436-F496 HydrophobicContact CE2-CB 3.61Å; F436-F496 AromaticContact CE2-CD1 3.43Å; F436-F496 HydrophobicContact CE2-CD1 3.43Å; F436-F496 VanDerWaalsContact CE2-CD1 3.43Å; F436-F496 AromaticContact CE2-CD2 3.27Å; F436-F496 HydrophobicContact CE2-CD2 3.27Å; F436-F496 AromaticContact CE2-CE1 3.82Å; F436-F496 HydrophobicContact CE2-CE1 3.82Å; F436-F496 AromaticContact CE2-CE2 3.68Å; F436-F496 HydrophobicContact CE2-CE2 3.68Å; F436-F496 AromaticContact CE2-CG 3.13Å; F436-F496 HydrophobicContact CE2-CG 3.13Å; F436-F496 AromaticContact CE2-CZ 3.94Å; F436-F496 HydrophobicContact CE2-CZ 3.94Å; F436-F496 HydrophobicContact CG-CD1 4.16Å; F436-F496 AromaticContact CG-CE1 3.93Å; F436-F496 HydrophobicContact CG-CE1 3.93Å; F436-F496 HydrophobicContact CG-CZ 4.22Å; F436-F496 HydrophobicContact CZ-CB 4.49Å; F436-F496 HydrophobicContact CZ-CD1 4.2Å; F436-F496 AromaticContact CZ-CD2 3.37Å; F436-F496 HydrophobicContact CZ-CD2 3.37Å; F436-F496 HydrophobicContact CZ-CE1 4.24Å; F436-F496 AromaticContact CZ-CE2 3.43Å; F436-F496 HydrophobicContact CZ-CE2 3.43Å; F436-F496 VanDerWaalsContact CZ-CE2 3.43Å; F436-F496 AromaticContact CZ-CG 3.78Å; F436-F496 HydrophobicContact CZ-CG 3.78Å; F436-F496 AromaticContact CZ-CZ 3.88Å; F436-F496 HydrophobicContact CZ-CZ 3.88Å
437	R	98.9	Very high	98.9	Very high	144 Å²	144	35.5 Å²	35.5	54%	0.543	16%	0.16	S	C	.	.			trans	-117.4	-177.4	176.1	-68.7	-174.2	171.3	-85.6	-0.1	111.4	N357 D439 D440 F441	N357-R437 WeakPolarHBondContact OD1-CA 3.49Å; R437-D439 VanDerWaalsContact C-N 3.34Å; R437-D439 PolarHBondContact O-N 3.47Å; R437-D440 PolarHBondContact N-OD2 2.87Å; R437-D440 WeakPolarHBondContact O-CB 3.37Å; R437-D440 PolarHBondContact O-N 3.21Å; R437-D440 VanDerWaalsContact O-N 3.11Å; R437-F441 WeakPolarHBondContact O-CD2 3.44Å; R437-F441 PolarHBondContact O-N 3.17Å
438	E	98.9	Very high	98.9	Very high	54 Å²	54	35.6 Å²	35.6	25%	0.252	16%	0.161	S	C	.	.	H	α-helix	trans	-55	-46	-173	-64.8	90.5	152.5	0	0	112.4	Q353 K356 N357 A360 D440 F441 R442	Q353-E438 PolarHBondContact NE2-OE1 2.97Å; Q353-E438 PolarHBondContact NE2-OE2 3.44Å; K356-E438 HydrophobicContact CB-CG 4.23Å; K356-E438 WeakPolarHBondContact CD-OE1 3.48Å; K356-E438 WeakPolarHBondContact CE-OE1 3.36Å; K356-E438 IonicContact NZ-OE1 3.31Å; K356-E438 PolarHBondContact NZ-OE1 3.32Å; K356-E438 IonicContact NZ-OE2 2.65Å; N357-E438 PolarHBondContact OD1-N 2.88Å; A360-E438 HydrophobicContact CB-CB 3.84Å; A360-E438 HydrophobicContact CB-CG 4.08Å; E438-D440 VanDerWaalsContact C-N 3.35Å; E438-D440 PolarHBondContact O-N 3.23Å; E438-F441 PolarHBondContact O-N 2.84Å; E438-R442 PolarHBondContact O-N 2.96Å
439	D	98.9	Very high	98.9	Very high	123 Å²	123	36.4 Å²	36.4	66%	0.658	17%	0.165	S	C	*	.	H	α-helix	trans	-66.4	-36.1	179	-66.1	-29.5	0	0	0	112.4	R437 F441 R442 R443	R437-D439 VanDerWaalsContact C-N 3.34Å; R437-D439 PolarHBondContact O-N 3.47Å; D439-F441 VanDerWaalsContact C-N 3.31Å; D439-F441 PolarHBondContact O-N 2.92Å; D439-R442 WeakPolarHBondContact O-CB 3.45Å; D439-R442 PolarHBondContact O-N 2.91Å; D439-R443 PolarHBondContact O-N 3.3Å
440	D	98.9	Very high	98.9	Very high	39 Å²	39	39.3 Å²	39.3	21%	0.209	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-39.2	174.8	-52.7	-52.5	0	0	0	110.6	F436 R437 E438 R443 V444 F492 F496	F436-D440 HydrophobicContact CB-CB 4.09Å; F436-D440 HydrophobicContact CD1-CB 3.52Å; F436-D440 HydrophobicContact CE1-CB 4.27Å; F436-D440 HydrophobicContact CG-CB 4.05Å; R437-D440 PolarHBondContact N-OD2 2.87Å; R437-D440 WeakPolarHBondContact O-CB 3.37Å; R437-D440 PolarHBondContact O-N 3.21Å; R437-D440 VanDerWaalsContact O-N 3.11Å; E438-D440 VanDerWaalsContact C-N 3.35Å; E438-D440 PolarHBondContact O-N 3.23Å; D440-R443 CarbonylContact O-C 3.36Å; D440-R443 WeakPolarHBondContact O-CB 3.31Å; D440-R443 PolarHBondContact O-N 3.38Å; D440-V444 VanDerWaalsContact O-CG2 3.31Å; D440-V444 WeakPolarHBondContact O-CG2 3.41Å; D440-V444 PolarHBondContact O-N 3Å; D440-F492 HydrophobicContact CB-CZ 4.12Å; D440-F496 HydrophobicContact CB-CE1 4.47Å; D440-F496 HydrophobicContact CB-CZ 4.1Å; D440-F496 WeakPolarHBondContact OD1-CZ 3.41Å
441	F	98.9	Very high	98.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.2	-33.6	175.1	-90.8	-91.3	0	0	0	112.9	L73 N357 M361 A428 L431 F436 R437 E438 D439 R443 V444 V445	L73-F441 HydrophobicContact CD2-CE1 4.34Å; N357-F441 HydrophobicContact CB-CD1 4.44Å; N357-F441 HydrophobicContact CB-CD2 3.48Å; N357-F441 VanDerWaalsContact CB-CD2 3.48Å; N357-F441 HydrophobicContact CB-CE1 4.43Å; N357-F441 HydrophobicContact CB-CE2 3.49Å; N357-F441 VanDerWaalsContact CB-CE2 3.49Å; N357-F441 HydrophobicContact CB-CG 3.97Å; N357-F441 HydrophobicContact CB-CZ 3.97Å; N357-F441 VanDerWaalsContact CG-CD2 3.41Å; N357-F441 VanDerWaalsContact CG-CE2 3.49Å; N357-F441 VanDerWaalsContact ND2-CE2 3.26Å; N357-F441 WeakPolarHBondContact ND2-CE2 3.4Å; M361-F441 HydrophobicContact CB-CD1 3.98Å; M361-F441 HydrophobicContact CG-CD1 4.43Å; M361-F441 HydrophobicContact SD-CD1 4.02Å; M361-F441 HydrophobicContact SD-CE1 4.22Å; A428-F441 HydrophobicContact CB-CE1 3.8Å; A428-F441 HydrophobicContact CB-CZ 3.63Å; L431-F441 HydrophobicContact CB-CE2 4.13Å; L431-F441 HydrophobicContact CB-CZ 3.81Å; L431-F441 HydrophobicContact CD1-CZ 4.4Å; F436-F441 HydrophobicContact CB-CD2 4.03Å; F436-F441 HydrophobicContact CB-CE2 3.68Å; R437-F441 WeakPolarHBondContact O-CD2 3.44Å; R437-F441 PolarHBondContact O-N 3.17Å; E438-F441 PolarHBondContact O-N 2.84Å; D439-F441 VanDerWaalsContact C-N 3.31Å; D439-F441 PolarHBondContact O-N 2.92Å; F441-R443 VanDerWaalsContact C-N 3.3Å; F441-V444 WeakPolarHBondContact O-CB 3.48Å; F441-V444 PolarHBondContact O-N 2.86Å; F441-V445 WeakPolarHBondContact O-CG2 3.23Å; F441-V445 PolarHBondContact O-N 3.13Å
442	R	98.9	Very high	98.9	Very high	87 Å²	87	39.3 Å²	39.3	33%	0.328	18%	0.178	S	C	.	.	H	α-helix	trans	-61.1	-43	169	-66	-179.6	-179.3	-86.9	-3.2	110.4	A364 E367 E438 D439 V444 V445 D446	A364-R442 HydrophobicContact CB-CG 4.17Å; E367-R442 IonicContact OE1-NH1 3.27Å; E367-R442 PolarHBondContact OE1-NH1 3.41Å; E367-R442 IonicContact OE2-NH1 3.52Å; E367-R442 PolarHBondContact OE2-NH1 3.47Å; E438-R442 PolarHBondContact O-N 2.96Å; D439-R442 WeakPolarHBondContact O-CB 3.45Å; D439-R442 PolarHBondContact O-N 2.91Å; R442-V444 PolarHBondContact O-N 3.49Å; R442-V445 WeakPolarHBondContact O-CB 3.49Å; R442-V445 PolarHBondContact O-N 3.14Å; R442-V445 VanDerWaalsContact O-N 3.12Å; R442-D446 PolarHBondContact O-N 3.27Å
443	R	98.9	Very high	98.9	Very high	99 Å²	99	41.7 Å²	41.7	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-64.2	-38.7	175.5	-172.9	54.7	172.1	173.7	1.2	113	D439 D440 F441 V445 D446 F447 F492	D439-R443 PolarHBondContact O-N 3.3Å; D440-R443 CarbonylContact O-C 3.36Å; D440-R443 WeakPolarHBondContact O-CB 3.31Å; D440-R443 PolarHBondContact O-N 3.38Å; F441-R443 VanDerWaalsContact C-N 3.3Å; R443-V445 VanDerWaalsContact C-N 3.28Å; R443-V445 PolarHBondContact O-N 3.03Å; R443-D446 VanDerWaalsContact CD-OD2 3.29Å; R443-D446 WeakPolarHBondContact CD-OD2 3.44Å; R443-D446 IonicContact CZ-OD2 3.3Å; R443-D446 IonicContact NH1-OD2 2.93Å; R443-D446 PolarHBondContact NH1-OD2 2.98Å; R443-D446 WeakPolarHBondContact O-CB 3.27Å; R443-D446 PolarHBondContact O-N 2.84Å; R443-F447 HydrophobicContact CG-CE2 3.87Å; R443-F447 HydrophobicContact CG-CZ 4.32Å; R443-F447 VanDerWaalsContact O-CD2 3.3Å; R443-F447 WeakPolarHBondContact O-CD2 3.42Å; R443-F447 PolarHBondContact O-N 2.88Å; R443-F492 HydrophobicContact CB-CE1 4.47Å; R443-F492 HydrophobicContact CB-CE2 4.42Å; R443-F492 HydrophobicContact CB-CZ 3.96Å; R443-F492 HydrophobicContact CG-CD2 4.41Å; R443-F492 HydrophobicContact CG-CE1 4.21Å; R443-F492 HydrophobicContact CG-CE2 3.94Å; R443-F492 HydrophobicContact CG-CZ 3.83Å
444	V	98.9	Very high	98.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-42.8	171.7	169.7	0	0	0	0	110.6	L71 L73 L431 F436 D440 F441 R442 D446 F447 I448 F492	L71-V444 HydrophobicContact CD1-CG1 4.49Å; L71-V444 HydrophobicContact CD1-CG2 4.09Å; L71-V444 HydrophobicContact CD2-CG2 4.22Å; L73-V444 HydrophobicContact CD1-CG1 3.78Å; L73-V444 HydrophobicContact CD2-CG1 4.15Å; L73-V444 HydrophobicContact CG-CG1 4.49Å; L431-V444 HydrophobicContact CD1-CG2 4.04Å; F436-V444 HydrophobicContact CD1-CG2 4.24Å; F436-V444 HydrophobicContact CE1-CG2 3.94Å; D440-V444 VanDerWaalsContact O-CG2 3.31Å; D440-V444 WeakPolarHBondContact O-CG2 3.41Å; D440-V444 PolarHBondContact O-N 3Å; F441-V444 WeakPolarHBondContact O-CB 3.48Å; F441-V444 PolarHBondContact O-N 2.86Å; R442-V444 PolarHBondContact O-N 3.49Å; V444-D446 VanDerWaalsContact C-N 3.32Å; V444-D446 PolarHBondContact O-N 3.05Å; V444-F447 PolarHBondContact O-N 3.08Å; V444-I448 HydrophobicContact CG1-CD1 3.93Å; V444-I448 HydrophobicContact CG1-CG1 4.45Å; V444-I448 WeakPolarHBondContact O-CG1 3.4Å; V444-I448 PolarHBondContact O-N 2.9Å; V444-F492 HydrophobicContact CG2-CE1 4.15Å
445	V	98.9	Very high	98.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-35	176.9	170.6	0	0	0	0	112.1	M361 A364 L365 F441 R442 R443 F447 I448 D449	M361-V445 HydrophobicContact CB-CG2 4.34Å; M361-V445 HydrophobicContact CG-CG2 3.71Å; A364-V445 HydrophobicContact CB-CB 4.04Å; A364-V445 HydrophobicContact CB-CG1 3.91Å; A364-V445 HydrophobicContact CB-CG2 4.12Å; L365-V445 HydrophobicContact CD2-CG1 3.88Å; L365-V445 HydrophobicContact CD2-CG2 4.4Å; L365-V445 HydrophobicContact CG-CG1 3.95Å; L365-V445 HydrophobicContact CG-CG2 3.97Å; F441-V445 WeakPolarHBondContact O-CG2 3.23Å; F441-V445 PolarHBondContact O-N 3.13Å; R442-V445 WeakPolarHBondContact O-CB 3.49Å; R442-V445 PolarHBondContact O-N 3.14Å; R442-V445 VanDerWaalsContact O-N 3.12Å; R443-V445 VanDerWaalsContact C-N 3.28Å; R443-V445 PolarHBondContact O-N 3.03Å; V445-F447 VanDerWaalsContact C-N 3.34Å; V445-F447 PolarHBondContact O-N 3.43Å; V445-I448 PolarHBondContact O-N 3.37Å; V445-D449 WeakPolarHBondContact O-CB 3.47Å; V445-D449 PolarHBondContact O-N 3.29Å
446	D	98.9	Very high	98.8	Very high	33 Å²	33	36.7 Å²	36.7	18%	0.176	17%	0.167	C	C	.	.	H	α-helix	trans	-56.8	-48.7	171.8	-57.7	-18.6	0	0	0	111.2	R368 R442 R443 V444 I448 D449 E450	R368-D446 IonicContact CZ-OD1 2.8Å; R368-D446 IonicContact NE-OD1 3.62Å; R368-D446 IonicContact NH2-OD1 3.08Å; R368-D446 PolarHBondContact NH2-OD1 2.99Å; R442-D446 PolarHBondContact O-N 3.27Å; R443-D446 VanDerWaalsContact CD-OD2 3.29Å; R443-D446 WeakPolarHBondContact CD-OD2 3.44Å; R443-D446 IonicContact CZ-OD2 3.3Å; R443-D446 IonicContact NH1-OD2 2.93Å; R443-D446 PolarHBondContact NH1-OD2 2.98Å; R443-D446 WeakPolarHBondContact O-CB 3.27Å; R443-D446 PolarHBondContact O-N 2.84Å; V444-D446 VanDerWaalsContact C-N 3.32Å; V444-D446 PolarHBondContact O-N 3.05Å; D446-I448 PolarHBondContact O-N 3.35Å; D446-D449 PolarHBondContact O-N 2.93Å; D446-E450 PolarHBondContact O-N 3.14Å
447	F	98.9	Very high	98.8	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.013	18%	0.183	C	C	.	.	H	α-helix	trans	-66.1	-37.1	179.7	-62.7	-53.3	0	0	0	112.7	L71 I405 R443 V444 V445 D449 G451 L485 R488 V489 F492	L71-F447 HydrophobicContact CD1-CD2 4.07Å; I405-F447 HydrophobicContact CD1-CB 3.76Å; R443-F447 HydrophobicContact CG-CE2 3.87Å; R443-F447 HydrophobicContact CG-CZ 4.32Å; R443-F447 VanDerWaalsContact O-CD2 3.3Å; R443-F447 WeakPolarHBondContact O-CD2 3.42Å; R443-F447 PolarHBondContact O-N 2.88Å; V444-F447 PolarHBondContact O-N 3.08Å; V445-F447 VanDerWaalsContact C-N 3.34Å; V445-F447 PolarHBondContact O-N 3.43Å; F447-D449 VanDerWaalsContact C-N 3.32Å; F447-G451 PolarHBondContact O-N 2.81Å; F447-L485 HydrophobicContact CB-CD1 4.35Å; F447-L485 HydrophobicContact CD1-CD1 3.64Å; F447-L485 HydrophobicContact CE1-CD1 4.41Å; F447-L485 HydrophobicContact CG-CD1 4.42Å; F447-R488 HydrophobicContact CE1-CB 4.12Å; F447-V489 HydrophobicContact CB-CG2 3.94Å; F447-V489 HydrophobicContact CD1-CG2 3.89Å; F447-V489 HydrophobicContact CD2-CG2 4.06Å; F447-V489 HydrophobicContact CE1-CG2 4.33Å; F447-V489 HydrophobicContact CG-CG2 3.72Å; F447-F492 HydrophobicContact CD2-CD1 4.42Å; F447-F492 HydrophobicContact CE2-CB 4.04Å; F447-F492 AromaticContact CE2-CD1 3.63Å; F447-F492 HydrophobicContact CE2-CD1 3.63Å; F447-F492 HydrophobicContact CE2-CE1 4.2Å; F447-F492 AromaticContact CE2-CG 3.88Å; F447-F492 HydrophobicContact CE2-CG 3.88Å; F447-F492 HydrophobicContact CZ-CB 4.18Å; F447-F492 HydrophobicContact CZ-CG 4.37Å
448	I	98.9	Very high	98.8	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-45.8	173.3	-68.1	166.9	0	0	0	110	L73 I405 L426 V444 V445 D446 G451 V452	L73-I448 HydrophobicContact CD1-CD1 3.67Å; L73-I448 HydrophobicContact CD1-CG1 4.29Å; I405-I448 HydrophobicContact CD1-CG1 4.5Å; I405-I448 HydrophobicContact CG2-CG1 4.48Å; L426-I448 HydrophobicContact CD1-CD1 4Å; V444-I448 HydrophobicContact CG1-CD1 3.93Å; V444-I448 HydrophobicContact CG1-CG1 4.45Å; V444-I448 WeakPolarHBondContact O-CG1 3.4Å; V444-I448 PolarHBondContact O-N 2.9Å; V445-I448 PolarHBondContact O-N 3.37Å; D446-I448 PolarHBondContact O-N 3.35Å; I448-G451 PolarHBondContact O-N 2.87Å; I448-V452 HydrophobicContact CG2-CG2 4.37Å; I448-V452 WeakPolarHBondContact O-CG2 3.4Å; I448-V452 PolarHBondContact O-N 3.38Å
449	D	98.9	Very high	98.7	Very high	17 Å²	17	34 Å²	34	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-42.1	-178.7	-169.1	47	0	0	0	112	R368 Y370 K389 V445 D446 F447 G451 V452 N453	R368-D449 IonicContact CZ-OD2 2.82Å; R368-D449 IonicContact NH1-OD2 2.87Å; R368-D449 PolarHBondContact NH1-OD2 3.1Å; Y370-D449 HydrophobicContact CE2-CB 4.36Å; Y370-D449 WeakPolarHBondContact CE2-OD1 3.38Å; Y370-D449 WeakPolarHBondContact OH-CA 3.48Å; Y370-D449 PolarHBondContact OH-OD1 2.83Å; K389-D449 IonicContact NZ-OD1 3.03Å; K389-D449 PolarHBondContact NZ-OD1 3.05Å; V445-D449 WeakPolarHBondContact O-CB 3.47Å; V445-D449 PolarHBondContact O-N 3.29Å; D446-D449 PolarHBondContact O-N 2.93Å; F447-D449 VanDerWaalsContact C-N 3.32Å; D449-G451 VanDerWaalsContact C-N 3.35Å; D449-G451 PolarHBondContact O-N 3.26Å; D449-V452 PolarHBondContact O-N 3.02Å; D449-N453 WeakPolarHBondContact O-CB 3.49Å; D449-N453 PolarHBondContact O-N 3.18Å; D449-N453 PolarHBondContact O-ND2 3.09Å; D449-N453 VanDerWaalsContact O-ND2 3.13Å
450	E	98.9	Very high	98.7	Very high	62 Å²	62	34 Å²	34	29%	0.29	16%	0.164	S	C	.	.	H	α-helix	trans	-56.9	-46.6	170.9	-72.5	-172.4	-123	0	0	111.8	D446 N453 I454 L485 R488	D446-E450 PolarHBondContact O-N 3.14Å; E450-N453 PolarHBondContact O-N 3.39Å; E450-I454 WeakPolarHBondContact O-CG1 3.18Å; E450-I454 PolarHBondContact O-N 3.26Å; E450-L485 HydrophobicContact CB-CD1 4.2Å; E450-L485 HydrophobicContact CB-CD2 3.95Å; E450-R488 IonicContact OE1-CZ 3.51Å; E450-R488 IonicContact OE1-NH1 3.97Å; E450-R488 PolarHBondContact OE1-NH1 3.16Å; E450-R488 IonicContact OE2-CZ 3.49Å; E450-R488 IonicContact OE2-NH1 3.96Å; E450-R488 PolarHBondContact OE2-NH1 3.42Å; E450-R488 IonicContact OE2-NH2 2.74Å; E450-R488 PolarHBondContact OE2-NH2 3.48Å
451	G	98.8	Very high	98.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-42	177	0	0	0	0	0	113.2	V399 F447 I448 D449 N453 I454 G455	V399-G451 WeakPolarHBondContact CG1-O 3.44Å; F447-G451 PolarHBondContact O-N 2.81Å; I448-G451 PolarHBondContact O-N 2.87Å; D449-G451 VanDerWaalsContact C-N 3.35Å; D449-G451 PolarHBondContact O-N 3.26Å; G451-N453 VanDerWaalsContact C-N 3.35Å; G451-I454 PolarHBondContact O-N 3.19Å; G451-G455 PolarHBondContact O-N 2.98Å
452	V	98.8	Very high	98.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-41.7	175.2	167.9	0	0	0	0	111	Y370 L386 K389 L391 I448 D449 G455 L456	Y370-V452 HydrophobicContact CE1-CG1 4.15Å; Y370-V452 HydrophobicContact CE1-CG2 4.19Å; Y370-V452 VanDerWaalsContact OH-CB 3.23Å; Y370-V452 WeakPolarHBondContact OH-CB 3.37Å; Y370-V452 VanDerWaalsContact OH-CG1 3.3Å; Y370-V452 WeakPolarHBondContact OH-CG1 3.22Å; L386-V452 HydrophobicContact CD2-CG2 4.46Å; K389-V452 HydrophobicContact CD-CG1 4.46Å; L391-V452 HydrophobicContact CD2-CG1 3.98Å; I448-V452 HydrophobicContact CG2-CG2 4.37Å; I448-V452 WeakPolarHBondContact O-CG2 3.4Å; I448-V452 PolarHBondContact O-N 3.38Å; D449-V452 PolarHBondContact O-N 3.02Å; V452-G455 CarbonylContact O-C 3.46Å; V452-G455 WeakPolarHBondContact O-CA 3.47Å; V452-G455 PolarHBondContact O-N 3.43Å; V452-G455 VanDerWaalsContact O-N 3.09Å; V452-L456 HydrophobicContact CG1-CD1 4.29Å; V452-L456 HydrophobicContact CG1-CG 4.48Å; V452-L456 WeakPolarHBondContact O-CG 3.41Å; V452-L456 PolarHBondContact O-N 3.5Å
453	N	98.8	Very high	98.1	Very high	57 Å²	57	37.5 Å²	37.5	31%	0.305	20%	0.197	S	C	.	.	H	α-helix	trans	-64.7	-42.4	178.4	-67.3	-26.7	0	0	0	111.7	D449 E450 G451 G455 L456 E457	D449-N453 WeakPolarHBondContact O-CB 3.49Å; D449-N453 PolarHBondContact O-N 3.18Å; D449-N453 PolarHBondContact O-ND2 3.09Å; D449-N453 VanDerWaalsContact O-ND2 3.13Å; E450-N453 PolarHBondContact O-N 3.39Å; G451-N453 VanDerWaalsContact C-N 3.35Å; N453-G455 VanDerWaalsContact C-N 3.27Å; N453-G455 PolarHBondContact O-N 3.48Å; N453-L456 WeakPolarHBondContact O-CB 3.4Å; N453-L456 PolarHBondContact O-N 3Å; N453-L456 VanDerWaalsContact O-N 3.16Å; N453-E457 WeakPolarHBondContact O-CG 3.49Å; N453-E457 PolarHBondContact O-N 2.63Å
454	I	98.8	Very high	97.9	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-56.7	-44.4	169.7	-67.1	166.2	0	0	0	110.3	V399 E450 G451 L456 E457 V458 T478 R481 L482 L485	V399-I454 HydrophobicContact CG1-CB 4.35Å; V399-I454 HydrophobicContact CG1-CG2 4.27Å; E450-I454 WeakPolarHBondContact O-CG1 3.18Å; E450-I454 PolarHBondContact O-N 3.26Å; G451-I454 PolarHBondContact O-N 3.19Å; I454-L456 VanDerWaalsContact C-N 3.34Å; I454-L456 PolarHBondContact O-N 3.01Å; I454-E457 PolarHBondContact O-N 2.7Å; I454-V458 HydrophobicContact CG2-CG2 4.39Å; I454-V458 WeakPolarHBondContact O-CG2 3.4Å; I454-V458 PolarHBondContact O-N 3.44Å; I454-T478 HydrophobicContact CG2-CG2 4.39Å; I454-R481 HydrophobicContact CD1-CB 4.42Å; I454-L482 HydrophobicContact CD1-CD2 4.24Å; I454-L482 HydrophobicContact CG2-CD2 4Å; I454-L482 HydrophobicContact CG2-CG 4.44Å; I454-L485 HydrophobicContact CD1-CD2 3.92Å
455	G	98.5	Very high	97.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-38.2	177	0	0	0	0	0	113.9	G451 V452 N453 K459 F468	G451-G455 PolarHBondContact O-N 2.98Å; V452-G455 CarbonylContact O-C 3.46Å; V452-G455 WeakPolarHBondContact O-CA 3.47Å; V452-G455 PolarHBondContact O-N 3.43Å; V452-G455 VanDerWaalsContact O-N 3.09Å; N453-G455 VanDerWaalsContact C-N 3.27Å; N453-G455 PolarHBondContact O-N 3.48Å; G455-K459 VanDerWaalsContact O-CB 3.31Å; G455-K459 WeakPolarHBondContact O-CB 3.49Å; G455-K459 PolarHBondContact O-N 3.05Å; G455-F468 WeakPolarHBondContact O-CE2 3.39Å
456	L	98.4	Very high	97.5	Very high	42 Å²	42	50 Å²	50	22%	0.22	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-45.4	175.4	-72	170.2	0	0	0	111.5	K389 L391 V452 N453 I454 K459 T460	K389-L456 WeakPolarHBondContact O-CD2 3.24Å; L391-L456 HydrophobicContact CB-CD2 3.86Å; L391-L456 HydrophobicContact CD1-CD2 4.34Å; V452-L456 HydrophobicContact CG1-CD1 4.29Å; V452-L456 HydrophobicContact CG1-CG 4.48Å; V452-L456 WeakPolarHBondContact O-CG 3.41Å; V452-L456 PolarHBondContact O-N 3.5Å; N453-L456 WeakPolarHBondContact O-CB 3.4Å; N453-L456 PolarHBondContact O-N 3Å; N453-L456 VanDerWaalsContact O-N 3.16Å; I454-L456 VanDerWaalsContact C-N 3.34Å; I454-L456 PolarHBondContact O-N 3.01Å; L456-K459 WeakPolarHBondContact O-CB 3.49Å; L456-K459 PolarHBondContact O-N 3.29Å; L456-T460 PolarHBondContact O-N 2.88Å
457	E	98.3	Very high	97.4	Very high	73 Å²	73	52.1 Å²	52.1	34%	0.341	27%	0.27	S	S	.	.	H	α-helix	trans	-63.9	-42.6	178.8	-67.5	177.8	-125.7	0	0	112.3	N453 I454 K459 T460 R481	N453-E457 WeakPolarHBondContact O-CG 3.49Å; N453-E457 PolarHBondContact O-N 2.63Å; I454-E457 PolarHBondContact O-N 2.7Å; E457-K459 VanDerWaalsContact C-N 3.25Å; E457-K459 PolarHBondContact O-N 3.31Å; E457-T460 PolarHBondContact O-N 3.44Å; E457-T460 PolarHBondContact O-OG1 2.86Å; E457-R481 IonicContact OE1-CZ 3.49Å; E457-R481 IonicContact OE1-NH1 2.74Å; E457-R481 PolarHBondContact OE1-NH1 3.36Å; E457-R481 VanDerWaalsContact OE1-NH1 3.16Å; E457-R481 IonicContact OE1-NH2 3.33Å; E457-R481 PolarHBondContact OE1-NH2 3.46Å; E457-R481 IonicContact OE2-CZ 3.03Å; E457-R481 IonicContact OE2-NH1 2.8Å; E457-R481 PolarHBondContact OE2-NH1 3.23Å; E457-R481 IonicContact OE2-NH2 3.44Å
458	V	98.4	Very high	97.4	Very high	2 Å²	2	52 Å²	52	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-66.9	-31.6	176.2	175.6	0	0	0	0	111.2	I454 T460 K461 T462 F468 F471 L472 T478	I454-V458 HydrophobicContact CG2-CG2 4.39Å; I454-V458 WeakPolarHBondContact O-CG2 3.4Å; I454-V458 PolarHBondContact O-N 3.44Å; V458-T460 VanDerWaalsContact C-N 3.33Å; V458-T460 PolarHBondContact O-N 3.32Å; V458-K461 PolarHBondContact O-N 2.94Å; V458-T462 HydrophobicContact CG1-CG2 4.44Å; V458-T462 PolarHBondContact O-N 3.41Å; V458-T462 PolarHBondContact O-OG1 2.69Å; V458-F468 HydrophobicContact CB-CD2 4.23Å; V458-F468 HydrophobicContact CB-CE2 3.7Å; V458-F468 HydrophobicContact CB-CZ 4.3Å; V458-F468 HydrophobicContact CG1-CD2 3.61Å; V458-F468 HydrophobicContact CG1-CE2 3.56Å; V458-F468 HydrophobicContact CG1-CG 4.29Å; V458-F468 HydrophobicContact CG1-CZ 4.22Å; V458-F471 HydrophobicContact CB-CD1 4.43Å; V458-F471 HydrophobicContact CG1-CB 4.19Å; V458-F471 HydrophobicContact CG1-CD1 3.6Å; V458-F471 HydrophobicContact CG1-CE1 4.39Å; V458-F471 HydrophobicContact CG1-CG 4.18Å; V458-F471 HydrophobicContact CG2-CD1 4.21Å; V458-F471 HydrophobicContact CG2-CE1 4.44Å; V458-L472 HydrophobicContact CB-CD2 4.37Å; V458-L472 HydrophobicContact CG1-CD2 4.16Å; V458-L472 HydrophobicContact CG1-CG 4.42Å; V458-L472 HydrophobicContact CG2-CD2 3.93Å; V458-T478 HydrophobicContact CG2-CG2 3.57Å
459	K	97.4	Very high	97.3	Very high	68 Å²	68	56.1 Å²	56.1	30%	0.296	29%	0.287	S	S	.	.	H	α-helix	trans	-67.3	-30.6	177.3	-175.8	175.3	176.3	176.9	0	112.3	G390 L391 G455 L456 E457 K461 T462 F468	G390-K459 WeakPolarHBondContact O-CD 3.26Å; G390-K459 WeakPolarHBondContact O-CE 3.29Å; G390-K459 PolarHBondContact O-NZ 3.22Å; L391-K459 HydrophobicContact CD1-CB 4.36Å; L391-K459 HydrophobicContact CD1-CD 3.87Å; G455-K459 VanDerWaalsContact O-CB 3.31Å; G455-K459 WeakPolarHBondContact O-CB 3.49Å; G455-K459 PolarHBondContact O-N 3.05Å; L456-K459 WeakPolarHBondContact O-CB 3.49Å; L456-K459 PolarHBondContact O-N 3.29Å; E457-K459 VanDerWaalsContact C-N 3.25Å; E457-K459 PolarHBondContact O-N 3.31Å; K459-K461 PolarHBondContact O-N 3.34Å; K459-T462 PolarHBondContact O-N 3.25Å; K459-F468 HydrophobicContact CB-CD2 4.45Å; K459-F468 HydrophobicContact CB-CE2 4.15Å
460	T	97.6	Very high	97.3	Very high	121 Å²	121	57.4 Å²	57.4	74%	0.742	30%	0.298	S	S	*	.	H	α-helix	trans	-70.6	-25	174.5	68	0	0	0	0	112.3	L456 E457 V458	L456-T460 PolarHBondContact O-N 2.88Å; E457-T460 PolarHBondContact O-N 3.44Å; E457-T460 PolarHBondContact O-OG1 2.86Å; V458-T460 VanDerWaalsContact C-N 3.33Å; V458-T460 PolarHBondContact O-N 3.32Å
461	K	97.3	Very high	97.3	Very high	96 Å²	96	56.8 Å²	56.8	42%	0.417	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.6	179	-57.2	178.3	-175.7	179.8	0	113.5	V458 K459 F471 E477	V458-K461 PolarHBondContact O-N 2.94Å; K459-K461 PolarHBondContact O-N 3.34Å; K461-F471 HydrophobicContact CB-CE1 4.39Å; K461-F471 HydrophobicContact CB-CE2 4.24Å; K461-F471 HydrophobicContact CB-CZ 4.03Å; K461-F471 HydrophobicContact CD-CE1 3.8Å; K461-F471 HydrophobicContact CD-CE2 4.47Å; K461-F471 HydrophobicContact CD-CZ 3.53Å; K461-F471 HydrophobicContact CG-CZ 4.4Å; K461-E477 IonicContact NZ-OE2 2.9Å; K461-E477 PolarHBondContact NZ-OE2 3.23Å; K461-E477 VanDerWaalsContact NZ-OE2 3.08Å
462	T	97.2	Very high	97.2	Very high	26 Å²	26	56.9 Å²	56.9	16%	0.16	29%	0.294	C	S	.	.			trans	-142.5	159.7	-172.4	58.7	0	0	0	0	113.4	V458 K459 D467 F468 F471	V458-T462 HydrophobicContact CG1-CG2 4.44Å; V458-T462 PolarHBondContact O-N 3.41Å; V458-T462 PolarHBondContact O-OG1 2.69Å; K459-T462 PolarHBondContact O-N 3.25Å; T462-D467 HydrophobicContact CG2-CB 4.49Å; T462-F468 WeakPolarHBondContact OG1-CD2 3.36Å; T462-F471 HydrophobicContact CG2-CB 3.66Å; T462-F471 HydrophobicContact CG2-CD2 3.89Å; T462-F471 HydrophobicContact CG2-CG 3.79Å
463	A	91.3	Very high	97.2	Very high	78 Å²	78	61.6 Å²	61.6	65%	0.645	32%	0.319	S	S	*	.			trans	-113.6	-64.2	-179.6	0	0	0	0	0	113	R395	R395-A463 PolarHBondContact NH2-O 3.27Å
464	K	94.4	Very high	97.1	Very high	148 Å²	148	66.9 Å²	66.9	64%	0.643	34%	0.339	S	S	*	.	S	Bend	trans	-83.8	158.5	-177.1	-58.3	177.2	179.5	174.6	0	111	Q466 D467 F468	K464-Q466 VanDerWaalsContact C-N 3.25Å; K464-Q466 PolarHBondContact O-N 2.91Å; K464-D467 VanDerWaalsContact CB-OD2 3.31Å; K464-D467 WeakPolarHBondContact CB-OD2 3.45Å; K464-D467 PolarHBondContact N-OD2 3.45Å; K464-D467 PolarHBondContact O-N 3.24Å; K464-F468 PolarHBondContact O-N 3.38Å
465	L	93.8	Very high	97.1	Very high	54 Å²	54	68.6 Å²	68.6	28%	0.283	35%	0.349	S	S	.	.	H	α-helix	trans	-61.4	-34.7	178.7	-176.2	62.6	0	0	0	112.3	A394 R395 F468 K469	A394-L465 HydrophobicContact CB-CD1 4.32Å; A394-L465 HydrophobicContact CB-CD2 4.16Å; R395-L465 HydrophobicContact CG-CD1 3.75Å; L465-F468 PolarHBondContact O-N 2.71Å; L465-K469 VanDerWaalsContact O-CG 3.3Å; L465-K469 WeakPolarHBondContact O-CG 3.27Å; L465-K469 PolarHBondContact O-N 3.43Å
466	Q	95.8	Very high	97.1	Very high	159 Å²	159	72.2 Å²	72.2	74%	0.743	37%	0.374	S	S	*	.	H	α-helix	trans	-66.2	-42.9	177.3	-63.9	-174.9	-5.5	0	0	111.7	K464 K469 S470	K464-Q466 VanDerWaalsContact C-N 3.25Å; K464-Q466 PolarHBondContact O-N 2.91Å; Q466-K469 PolarHBondContact O-N 2.87Å; Q466-S470 PolarHBondContact O-N 2.93Å
467	D	97.1	Very high	97	Very high	78 Å²	78	75.1 Å²	75.1	42%	0.417	39%	0.387	S	S	.	.	H	α-helix	trans	-62.6	-45.6	176.1	-51.9	-35.6	0	0	0	110.4	T462 K464 K469 S470 F471	T462-D467 HydrophobicContact CG2-CB 4.49Å; K464-D467 VanDerWaalsContact CB-OD2 3.31Å; K464-D467 WeakPolarHBondContact CB-OD2 3.45Å; K464-D467 PolarHBondContact N-OD2 3.45Å; K464-D467 PolarHBondContact O-N 3.24Å; D467-K469 PolarHBondContact O-N 2.92Å; D467-S470 PolarHBondContact O-N 3.41Å; D467-F471 VanDerWaalsContact O-CB 3.31Å; D467-F471 WeakPolarHBondContact O-CB 3.5Å; D467-F471 PolarHBondContact O-N 2.95Å
468	F	97.9	Very high	97	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-54.3	-50.6	174.7	-176.6	-89.2	0	0	0	111.6	R395 V399 G455 V458 K459 T462 K464 L465 S470 F471 L472	R395-F468 HydrophobicContact CB-CD1 4.11Å; R395-F468 HydrophobicContact CB-CE1 3.58Å; R395-F468 HydrophobicContact CB-CE2 4.2Å; R395-F468 HydrophobicContact CB-CZ 3.66Å; R395-F468 HydrophobicContact CG-CD1 3.71Å; R395-F468 HydrophobicContact CG-CD2 4.06Å; R395-F468 HydrophobicContact CG-CE1 3.73Å; R395-F468 HydrophobicContact CG-CE2 4.1Å; R395-F468 HydrophobicContact CG-CG 3.88Å; R395-F468 HydrophobicContact CG-CZ 3.95Å; V399-F468 HydrophobicContact CG2-CE1 3.95Å; V399-F468 HydrophobicContact CG2-CZ 3.82Å; G455-F468 WeakPolarHBondContact O-CE2 3.39Å; V458-F468 HydrophobicContact CB-CD2 4.23Å; V458-F468 HydrophobicContact CB-CE2 3.7Å; V458-F468 HydrophobicContact CB-CZ 4.3Å; V458-F468 HydrophobicContact CG1-CD2 3.61Å; V458-F468 HydrophobicContact CG1-CE2 3.56Å; V458-F468 HydrophobicContact CG1-CG 4.29Å; V458-F468 HydrophobicContact CG1-CZ 4.22Å; K459-F468 HydrophobicContact CB-CD2 4.45Å; K459-F468 HydrophobicContact CB-CE2 4.15Å; T462-F468 WeakPolarHBondContact OG1-CD2 3.36Å; K464-F468 PolarHBondContact O-N 3.38Å; L465-F468 PolarHBondContact O-N 2.71Å; F468-S470 VanDerWaalsContact C-N 3.35Å; F468-S470 PolarHBondContact O-N 3.36Å; F468-F471 PolarHBondContact O-N 3.49Å; F468-L472 HydrophobicContact CD1-CD1 3.95Å; F468-L472 HydrophobicContact CD1-CG 4.44Å; F468-L472 HydrophobicContact CE1-CD1 3.62Å; F468-L472 HydrophobicContact CE1-CD2 4.48Å; F468-L472 HydrophobicContact CE1-CG 4.22Å; F468-L472 HydrophobicContact CZ-CD1 4.4Å; F468-L472 WeakPolarHBondContact O-CG 3.44Å; F468-L472 PolarHBondContact O-N 3.21Å; F468-L472 VanDerWaalsContact O-N 3.16Å
469	K	97.6	Very high	97	Very high	91 Å²	91	74.3 Å²	74.3	40%	0.396	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-39.7	178.8	-71.9	-174.6	176.6	-170.7	0	112.8	R398 L465 Q466 D467	R398-K469 HydrophobicContact CG-CG 4.22Å; L465-K469 VanDerWaalsContact O-CG 3.3Å; L465-K469 WeakPolarHBondContact O-CG 3.27Å; L465-K469 PolarHBondContact O-N 3.43Å; Q466-K469 PolarHBondContact O-N 2.87Å; D467-K469 PolarHBondContact O-N 2.92Å
470	S	97.9	Very high	97.1	Very high	44 Å²	44	77.4 Å²	77.4	31%	0.308	40%	0.404	S	S	.	.	H	α-helix	trans	-70.3	-39.4	178.6	-161.3	0	0	0	0	111.5	Q466 D467 F468 L472 L473 K474	Q466-S470 PolarHBondContact O-N 2.93Å; D467-S470 PolarHBondContact O-N 3.41Å; F468-S470 VanDerWaalsContact C-N 3.35Å; F468-S470 PolarHBondContact O-N 3.36Å; S470-L472 PolarHBondContact O-N 3.28Å; S470-L473 PolarHBondContact O-N 3.14Å; S470-L473 VanDerWaalsContact O-N 3.16Å; S470-K474 WeakPolarHBondContact O-CB 3.23Å; S470-K474 WeakPolarHBondContact O-CG 3.32Å; S470-K474 PolarHBondContact O-N 3.41Å; S470-K474 WeakPolarHBondContact OG-CD 3.18Å; S470-K474 WeakPolarHBondContact OG-CE 3.37Å; S470-K474 PolarHBondContact OG-NZ 2.86Å
471	F	98.4	Very high	97.1	Very high	49 Å²	49	75.7 Å²	75.7	22%	0.215	38%	0.384	C	S	.	.	H	α-helix	trans	-61.1	-43.9	179.3	-165.7	-83.6	0	0	0	111.8	V458 K461 T462 D467 F468 L473 K474 D475 T478	V458-F471 HydrophobicContact CB-CD1 4.43Å; V458-F471 HydrophobicContact CG1-CB 4.19Å; V458-F471 HydrophobicContact CG1-CD1 3.6Å; V458-F471 HydrophobicContact CG1-CE1 4.39Å; V458-F471 HydrophobicContact CG1-CG 4.18Å; V458-F471 HydrophobicContact CG2-CD1 4.21Å; V458-F471 HydrophobicContact CG2-CE1 4.44Å; K461-F471 HydrophobicContact CB-CE1 4.39Å; K461-F471 HydrophobicContact CB-CE2 4.24Å; K461-F471 HydrophobicContact CB-CZ 4.03Å; K461-F471 HydrophobicContact CD-CE1 3.8Å; K461-F471 HydrophobicContact CD-CE2 4.47Å; K461-F471 HydrophobicContact CD-CZ 3.53Å; K461-F471 HydrophobicContact CG-CZ 4.4Å; T462-F471 HydrophobicContact CG2-CB 3.66Å; T462-F471 HydrophobicContact CG2-CD2 3.89Å; T462-F471 HydrophobicContact CG2-CG 3.79Å; D467-F471 VanDerWaalsContact O-CB 3.31Å; D467-F471 WeakPolarHBondContact O-CB 3.5Å; D467-F471 PolarHBondContact O-N 2.95Å; F468-F471 PolarHBondContact O-N 3.49Å; F471-L473 PolarHBondContact O-N 3.11Å; F471-K474 PolarHBondContact O-N 3.29Å; F471-D475 HydrophobicContact CD1-CB 3.7Å; F471-D475 HydrophobicContact CD2-CB 4.38Å; F471-D475 HydrophobicContact CE1-CB 3.36Å; F471-D475 VanDerWaalsContact CE1-CG 3.43Å; F471-D475 WeakPolarHBondContact CE1-OD2 3.32Å; F471-D475 HydrophobicContact CE2-CB 4.07Å; F471-D475 HydrophobicContact CG-CB 4.2Å; F471-D475 HydrophobicContact CZ-CB 3.55Å; F471-D475 WeakPolarHBondContact O-CB 3.45Å; F471-D475 PolarHBondContact O-N 3.03Å; F471-T478 WeakPolarHBondContact CE1-OG1 3.48Å
472	L	98.3	Very high	97.2	Very high	1 Å²	1	71.5 Å²	71.5	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-52.6	-28.9	175.9	-69.4	171.5	0	0	0	114	R398 V399 L402 V458 F468 S470 T478 L482	R398-L472 HydrophobicContact CG-CD1 3.87Å; V399-L472 HydrophobicContact CG2-CD1 3.95Å; V399-L472 HydrophobicContact CG2-CD2 3.78Å; L402-L472 HydrophobicContact CD1-CB 3.85Å; L402-L472 HydrophobicContact CD1-CD1 3.96Å; L402-L472 HydrophobicContact CD1-CG 4.42Å; V458-L472 HydrophobicContact CB-CD2 4.37Å; V458-L472 HydrophobicContact CG1-CD2 4.16Å; V458-L472 HydrophobicContact CG1-CG 4.42Å; V458-L472 HydrophobicContact CG2-CD2 3.93Å; F468-L472 HydrophobicContact CD1-CD1 3.95Å; F468-L472 HydrophobicContact CD1-CG 4.44Å; F468-L472 HydrophobicContact CE1-CD1 3.62Å; F468-L472 HydrophobicContact CE1-CD2 4.48Å; F468-L472 HydrophobicContact CE1-CG 4.22Å; F468-L472 HydrophobicContact CZ-CD1 4.4Å; F468-L472 WeakPolarHBondContact O-CG 3.44Å; F468-L472 PolarHBondContact O-N 3.21Å; F468-L472 VanDerWaalsContact O-N 3.16Å; S470-L472 PolarHBondContact O-N 3.28Å; L472-T478 HydrophobicContact CD2-CG2 3.96Å; L472-L482 HydrophobicContact CB-CD1 4.34Å; L472-L482 HydrophobicContact CD2-CD1 4.07Å
473	L	97.4	Very high	97.3	Very high	100 Å²	100	72.9 Å²	72.9	52%	0.524	38%	0.381	S	S	.	.	H	α-helix	trans	-98	-30.4	-176.8	-58.5	177.7	0	0	0	113.3	L402 S470 F471	L402-L473 HydrophobicContact CD1-CD2 4.26Å; L402-L473 HydrophobicContact CD2-CD2 4.07Å; S470-L473 PolarHBondContact O-N 3.14Å; S470-L473 VanDerWaalsContact O-N 3.16Å; F471-L473 PolarHBondContact O-N 3.11Å
474	K	97.3	Very high	97.6	Very high	168 Å²	168	73 Å²	73	73%	0.73	37%	0.37	S	S	*	.	H	α-helix	trans	-99	-29.8	-170.4	-69.5	-177.6	176.9	174.1	0	113.6	S470 F471 S476	S470-K474 WeakPolarHBondContact O-CB 3.23Å; S470-K474 WeakPolarHBondContact O-CG 3.32Å; S470-K474 PolarHBondContact O-N 3.41Å; S470-K474 WeakPolarHBondContact OG-CD 3.18Å; S470-K474 WeakPolarHBondContact OG-CE 3.37Å; S470-K474 PolarHBondContact OG-NZ 2.86Å; F471-K474 PolarHBondContact O-N 3.29Å; K474-S476 PolarHBondContact O-N 2.68Å
475	D	98.4	Very high	97.9	Very high	42 Å²	42	66 Å²	66	23%	0.225	34%	0.34	C	S	.	.			trans	-75.9	123.1	179.6	-179.9	64.6	0	0	0	110.5	F471 T478 S479	F471-D475 HydrophobicContact CD1-CB 3.7Å; F471-D475 HydrophobicContact CD2-CB 4.38Å; F471-D475 HydrophobicContact CE1-CB 3.36Å; F471-D475 VanDerWaalsContact CE1-CG 3.43Å; F471-D475 WeakPolarHBondContact CE1-OD2 3.32Å; F471-D475 HydrophobicContact CE2-CB 4.07Å; F471-D475 HydrophobicContact CG-CB 4.2Å; F471-D475 HydrophobicContact CZ-CB 3.55Å; F471-D475 WeakPolarHBondContact O-CB 3.45Å; F471-D475 PolarHBondContact O-N 3.03Å; D475-T478 PolarHBondContact O-N 3.36Å; D475-T478 VanDerWaalsContact OD2-CB 3.25Å; D475-T478 WeakPolarHBondContact OD2-CB 3.29Å; D475-T478 PolarHBondContact OD2-N 3.44Å; D475-T478 PolarHBondContact OD2-OG1 3.22Å; D475-S479 VanDerWaalsContact O-CB 3.24Å; D475-S479 WeakPolarHBondContact O-CB 3.26Å; D475-S479 PolarHBondContact O-N 3.42Å
476	S	98	Very high	98.1	Very high	77 Å²	77	68 Å²	68	54%	0.538	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-45.1	-172.2	-171.2	0	0	0	0	112.2	K474 S479 Q480	K474-S476 PolarHBondContact O-N 2.68Å; S476-S479 PolarHBondContact O-N 3.49Å; S476-Q480 VanDerWaalsContact O-CG 3.31Å; S476-Q480 WeakPolarHBondContact O-CG 3.47Å; S476-Q480 PolarHBondContact O-N 3.12Å
477	E	98.1	Very high	98.2	Very high	103 Å²	103	66.8 Å²	66.8	48%	0.481	34%	0.338	S	S	.	.	H	α-helix	trans	-61.4	-48.7	179.2	-179.9	-172.8	-154.2	0	0	110.9	K461 Q480 R481	K461-E477 IonicContact NZ-OE2 2.9Å; K461-E477 PolarHBondContact NZ-OE2 3.23Å; K461-E477 VanDerWaalsContact NZ-OE2 3.08Å; E477-Q480 PolarHBondContact O-N 2.96Å; E477-R481 WeakPolarHBondContact O-CG 3.38Å; E477-R481 PolarHBondContact O-N 2.87Å; E477-R481 VanDerWaalsContact O-N 3.13Å
478	T	98.4	Very high	98.3	Very high	5 Å²	5	66.3 Å²	66.3	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-45.2	178.6	-57.3	0	0	0	0	111.6	I454 V458 F471 L472 D475 Q480 R481 L482	I454-T478 HydrophobicContact CG2-CG2 4.39Å; V458-T478 HydrophobicContact CG2-CG2 3.57Å; F471-T478 WeakPolarHBondContact CE1-OG1 3.48Å; L472-T478 HydrophobicContact CD2-CG2 3.96Å; D475-T478 PolarHBondContact O-N 3.36Å; D475-T478 VanDerWaalsContact OD2-CB 3.25Å; D475-T478 WeakPolarHBondContact OD2-CB 3.29Å; D475-T478 PolarHBondContact OD2-N 3.44Å; D475-T478 PolarHBondContact OD2-OG1 3.22Å; T478-Q480 VanDerWaalsContact C-N 3.35Å; T478-Q480 PolarHBondContact O-N 3.36Å; T478-R481 PolarHBondContact O-N 2.84Å; T478-L482 HydrophobicContact CG2-CD1 3.99Å; T478-L482 HydrophobicContact CG2-CG 4.42Å; T478-L482 VanDerWaalsContact O-CG 3.32Å; T478-L482 WeakPolarHBondContact O-CG 3.49Å; T478-L482 PolarHBondContact O-N 2.86Å
479	S	98.4	Very high	98.4	Very high	53 Å²	53	66.3 Å²	66.3	37%	0.371	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-42.1	179.6	-175.9	0	0	0	0	112.1	D475 S476 L482 A483	D475-S479 VanDerWaalsContact O-CB 3.24Å; D475-S479 WeakPolarHBondContact O-CB 3.26Å; D475-S479 PolarHBondContact O-N 3.42Å; S476-S479 PolarHBondContact O-N 3.49Å; S479-L482 PolarHBondContact O-N 2.72Å; S479-A483 WeakPolarHBondContact O-CB 3.4Å; S479-A483 PolarHBondContact O-N 3.32Å
480	Q	98.5	Very high	98.4	Very high	132 Å²	132	63.5 Å²	63.5	62%	0.617	32%	0.319	S	S	*	.	H	α-helix	trans	-63.5	-43.5	176.1	-74.1	175	-6.6	0	0	112.4	S476 E477 T478 A483 D484	S476-Q480 VanDerWaalsContact O-CG 3.31Å; S476-Q480 WeakPolarHBondContact O-CG 3.47Å; S476-Q480 PolarHBondContact O-N 3.12Å; E477-Q480 PolarHBondContact O-N 2.96Å; T478-Q480 VanDerWaalsContact C-N 3.35Å; T478-Q480 PolarHBondContact O-N 3.36Å; Q480-A483 PolarHBondContact O-N 2.96Å; Q480-D484 PolarHBondContact O-N 3.25Å
481	R	98.6	Very high	98.5	Very high	85 Å²	85	68.4 Å²	68.4	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-64.7	-39.9	176.9	-72.9	179.4	63.8	-167.6	2.1	112.9	I454 E457 E477 T478 L485	I454-R481 HydrophobicContact CD1-CB 4.42Å; E457-R481 IonicContact OE1-CZ 3.49Å; E457-R481 IonicContact OE1-NH1 2.74Å; E457-R481 PolarHBondContact OE1-NH1 3.36Å; E457-R481 VanDerWaalsContact OE1-NH1 3.16Å; E457-R481 IonicContact OE1-NH2 3.33Å; E457-R481 PolarHBondContact OE1-NH2 3.46Å; E457-R481 IonicContact OE2-CZ 3.03Å; E457-R481 IonicContact OE2-NH1 2.8Å; E457-R481 PolarHBondContact OE2-NH1 3.23Å; E457-R481 IonicContact OE2-NH2 3.44Å; E477-R481 WeakPolarHBondContact O-CG 3.38Å; E477-R481 PolarHBondContact O-N 2.87Å; E477-R481 VanDerWaalsContact O-N 3.13Å; T478-R481 PolarHBondContact O-N 2.84Å; R481-L485 WeakPolarHBondContact O-CB 3.19Å; R481-L485 PolarHBondContact O-N 2.84Å
482	L	98.8	Very high	98.5	Very high	9 Å²	9	68.1 Å²	68.1	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-64.7	-41.8	174.2	-69.3	169.9	0	0	0	111.1	V399 L402 V403 I454 L472 T478 S479 L485 R486	V399-L482 HydrophobicContact CG1-CD2 3.86Å; L402-L482 HydrophobicContact CD1-CD1 3.96Å; V403-L482 HydrophobicContact CG1-CB 4.22Å; V403-L482 HydrophobicContact CG1-CD2 3.67Å; V403-L482 WeakPolarHBondContact CG1-O 3.5Å; I454-L482 HydrophobicContact CD1-CD2 4.24Å; I454-L482 HydrophobicContact CG2-CD2 4Å; I454-L482 HydrophobicContact CG2-CG 4.44Å; L472-L482 HydrophobicContact CB-CD1 4.34Å; L472-L482 HydrophobicContact CD2-CD1 4.07Å; T478-L482 HydrophobicContact CG2-CD1 3.99Å; T478-L482 HydrophobicContact CG2-CG 4.42Å; T478-L482 VanDerWaalsContact O-CG 3.32Å; T478-L482 WeakPolarHBondContact O-CG 3.49Å; T478-L482 PolarHBondContact O-N 2.86Å; S479-L482 PolarHBondContact O-N 2.72Å; L482-L485 PolarHBondContact O-N 3.19Å; L482-R486 WeakPolarHBondContact O-CB 3.3Å; L482-R486 PolarHBondContact O-N 2.8Å
483	A	98.7	Very high	98.5	Very high	55 Å²	55	68.1 Å²	68.1	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-62.7	-42.9	177.6	0	0	0	0	0	112.3	S479 Q480 R486 Q487	S479-A483 WeakPolarHBondContact O-CB 3.4Å; S479-A483 PolarHBondContact O-N 3.32Å; Q480-A483 PolarHBondContact O-N 2.96Å; A483-R486 PolarHBondContact O-N 2.86Å; A483-Q487 WeakPolarHBondContact O-CB 3.46Å; A483-Q487 PolarHBondContact O-N 2.96Å
484	D	98.8	Very high	98.6	Very high	79 Å²	79	69 Å²	69	42%	0.422	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-51.8	174.6	173.4	80.9	0	0	0	111.9	Q480 R486 Q487 R488	Q480-D484 PolarHBondContact O-N 3.25Å; D484-R486 VanDerWaalsContact C-N 3.32Å; D484-R486 PolarHBondContact O-N 3.19Å; D484-Q487 PolarHBondContact O-N 3.44Å; D484-R488 PolarHBondContact O-N 3.3Å; D484-R488 VanDerWaalsContact O-N 3.1Å; D484-R488 IonicContact OD1-NE 3.48Å; D484-R488 IonicContact OD2-CZ 2.75Å; D484-R488 VanDerWaalsContact OD2-CZ 3.27Å; D484-R488 IonicContact OD2-NE 3.23Å; D484-R488 PolarHBondContact OD2-NE 2.96Å; D484-R488 IonicContact OD2-NH2 3.44Å; D484-R488 PolarHBondContact OD2-NH2 2.79Å
485	L	98.9	Very high	98.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-60.7	-43.6	178.9	178.1	56.2	0	0	0	111.1	V403 F447 E450 I454 R481 L482 Q487 R488 V489	V403-L485 HydrophobicContact CB-CD2 4.26Å; V403-L485 HydrophobicContact CB-CG 4.03Å; V403-L485 HydrophobicContact CG1-CB 4.07Å; V403-L485 HydrophobicContact CG1-CD2 4Å; V403-L485 HydrophobicContact CG1-CG 3.99Å; V403-L485 HydrophobicContact CG2-CD2 4.06Å; V403-L485 HydrophobicContact CG2-CG 4.23Å; F447-L485 HydrophobicContact CB-CD1 4.35Å; F447-L485 HydrophobicContact CD1-CD1 3.64Å; F447-L485 HydrophobicContact CE1-CD1 4.41Å; F447-L485 HydrophobicContact CG-CD1 4.42Å; E450-L485 HydrophobicContact CB-CD1 4.2Å; E450-L485 HydrophobicContact CB-CD2 3.95Å; I454-L485 HydrophobicContact CD1-CD2 3.92Å; R481-L485 WeakPolarHBondContact O-CB 3.19Å; R481-L485 PolarHBondContact O-N 2.84Å; L482-L485 PolarHBondContact O-N 3.19Å; L485-Q487 VanDerWaalsContact C-N 3.35Å; L485-Q487 PolarHBondContact O-N 3.27Å; L485-R488 PolarHBondContact O-N 3.43Å; L485-V489 HydrophobicContact CD1-CG2 4.08Å; L485-V489 HydrophobicContact CG-CG2 4.41Å; L485-V489 WeakPolarHBondContact O-CB 3.38Å; L485-V489 VanDerWaalsContact O-CG2 3.29Å; L485-V489 WeakPolarHBondContact O-CG2 3.37Å; L485-V489 PolarHBondContact O-N 2.8Å
486	R	98.9	Very high	98.6	Very high	98 Å²	98	63.9 Å²	63.9	37%	0.37	33%	0.327	S	S	.	.	H	α-helix	trans	-57.2	-46.7	175.7	-175.4	179.9	173.7	174.3	-7.6	111.7	L402 V403 L482 A483 D484 R488 V489 E490	L402-R486 WeakPolarHBondContact O-CD 3.42Å; V403-R486 HydrophobicContact CB-CB 4.22Å; V403-R486 HydrophobicContact CG1-CB 4.35Å; L482-R486 WeakPolarHBondContact O-CB 3.3Å; L482-R486 PolarHBondContact O-N 2.8Å; A483-R486 PolarHBondContact O-N 2.86Å; D484-R486 VanDerWaalsContact C-N 3.32Å; D484-R486 PolarHBondContact O-N 3.19Å; R486-R488 VanDerWaalsContact C-N 3.35Å; R486-R488 PolarHBondContact O-N 3.4Å; R486-V489 PolarHBondContact O-N 2.85Å; R486-E490 HydrophobicContact CG-CG 4.23Å; R486-E490 IonicContact CZ-OE1 3.19Å; R486-E490 IonicContact NE-OE1 2.81Å; R486-E490 PolarHBondContact NE-OE1 3.12Å; R486-E490 IonicContact NH2-OE1 2.74Å; R486-E490 PolarHBondContact NH2-OE1 3.21Å; R486-E490 WeakPolarHBondContact O-CB 3.41Å; R486-E490 VanDerWaalsContact O-CG 3.32Å; R486-E490 WeakPolarHBondContact O-CG 3.4Å; R486-E490 PolarHBondContact O-N 3.1Å
487	Q	98.8	Very high	98.7	Very high	133 Å²	133	63.1 Å²	63.1	62%	0.621	32%	0.32	S	S	*	.	H	α-helix	trans	-61.6	-44.1	-179.5	-176.4	176.2	4.2	0	0	111.4	A483 D484 L485 E490 Q491	A483-Q487 WeakPolarHBondContact O-CB 3.46Å; A483-Q487 PolarHBondContact O-N 2.96Å; D484-Q487 PolarHBondContact O-N 3.44Å; L485-Q487 VanDerWaalsContact C-N 3.35Å; L485-Q487 PolarHBondContact O-N 3.27Å; Q487-E490 PolarHBondContact O-N 3.27Å; Q487-Q491 VanDerWaalsContact O-CB 3.29Å; Q487-Q491 WeakPolarHBondContact O-CB 3.11Å; Q487-Q491 PolarHBondContact O-N 3.03Å
488	R	98.8	Very high	98.7	Very high	67 Å²	67	60 Å²	60	25%	0.253	31%	0.306	S	S	.	.	H	α-helix	trans	-64	-42.3	176.7	-70.1	-176.7	-73.5	122	-6.3	112.2	F447 E450 D484 L485 R486 F492	F447-R488 HydrophobicContact CE1-CB 4.12Å; E450-R488 IonicContact OE1-CZ 3.51Å; E450-R488 IonicContact OE1-NH1 3.97Å; E450-R488 PolarHBondContact OE1-NH1 3.16Å; E450-R488 IonicContact OE2-CZ 3.49Å; E450-R488 IonicContact OE2-NH1 3.96Å; E450-R488 PolarHBondContact OE2-NH1 3.42Å; E450-R488 IonicContact OE2-NH2 2.74Å; E450-R488 PolarHBondContact OE2-NH2 3.48Å; D484-R488 PolarHBondContact O-N 3.3Å; D484-R488 VanDerWaalsContact O-N 3.1Å; D484-R488 IonicContact OD1-NE 3.48Å; D484-R488 IonicContact OD2-CZ 2.75Å; D484-R488 VanDerWaalsContact OD2-CZ 3.27Å; D484-R488 IonicContact OD2-NE 3.23Å; D484-R488 PolarHBondContact OD2-NE 2.96Å; D484-R488 IonicContact OD2-NH2 3.44Å; D484-R488 PolarHBondContact OD2-NH2 2.79Å; L485-R488 PolarHBondContact O-N 3.43Å; R486-R488 VanDerWaalsContact C-N 3.35Å; R486-R488 PolarHBondContact O-N 3.4Å; R488-F492 VanDerWaalsContact O-CB 3.31Å; R488-F492 WeakPolarHBondContact O-CB 3.5Å; R488-F492 PolarHBondContact O-N 3.33Å
489	V	98.9	Very high	98.7	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.8	-49.7	175.8	167.5	0	0	0	0	110.8	L71 V403 I405 F447 L485 R486 Q491 F492 A493	L71-V489 HydrophobicContact CD1-CG1 3.73Å; L71-V489 HydrophobicContact CG-CG1 3.86Å; V403-V489 WeakPolarHBondContact O-CB 3.41Å; V403-V489 VanDerWaalsContact O-CG1 3.27Å; V403-V489 WeakPolarHBondContact O-CG1 3.31Å; I405-V489 HydrophobicContact CD1-CG2 4.09Å; I405-V489 HydrophobicContact CG1-CG1 4Å; I405-V489 HydrophobicContact CG1-CG2 4.27Å; F447-V489 HydrophobicContact CB-CG2 3.94Å; F447-V489 HydrophobicContact CD1-CG2 3.89Å; F447-V489 HydrophobicContact CD2-CG2 4.06Å; F447-V489 HydrophobicContact CE1-CG2 4.33Å; F447-V489 HydrophobicContact CG-CG2 3.72Å; L485-V489 HydrophobicContact CD1-CG2 4.08Å; L485-V489 HydrophobicContact CG-CG2 4.41Å; L485-V489 WeakPolarHBondContact O-CB 3.38Å; L485-V489 VanDerWaalsContact O-CG2 3.29Å; L485-V489 WeakPolarHBondContact O-CG2 3.37Å; L485-V489 PolarHBondContact O-N 2.8Å; R486-V489 PolarHBondContact O-N 2.85Å; V489-Q491 PolarHBondContact O-N 2.82Å; V489-F492 PolarHBondContact O-N 2.9Å; V489-A493 WeakPolarHBondContact O-CB 3.45Å; V489-A493 PolarHBondContact O-N 3.2Å
490	E	98.9	Very high	98.7	Very high	33 Å²	33	59.7 Å²	59.7	15%	0.154	31%	0.305	C	S	.	.	H	α-helix	trans	-65.1	-39.6	-178.5	-71.1	-174.9	178.5	0	0	111.8	R69 S404 R486 Q487 R494	R69-E490 HydrophobicContact CB-CB 4.13Å; R69-E490 HydrophobicContact CB-CG 3.96Å; R69-E490 WeakPolarHBondContact CD-OE1 3.48Å; R69-E490 HydrophobicContact CG-CG 3.92Å; R69-E490 IonicContact NE-OE1 3.05Å; R69-E490 PolarHBondContact NE-OE1 3.34Å; R69-E490 WeakPolarHBondContact O-CA 3.27Å; S404-E490 PolarHBondContact OG-OE1 2.95Å; R486-E490 HydrophobicContact CG-CG 4.23Å; R486-E490 IonicContact CZ-OE1 3.19Å; R486-E490 IonicContact NE-OE1 2.81Å; R486-E490 PolarHBondContact NE-OE1 3.12Å; R486-E490 IonicContact NH2-OE1 2.74Å; R486-E490 PolarHBondContact NH2-OE1 3.21Å; R486-E490 WeakPolarHBondContact O-CB 3.41Å; R486-E490 VanDerWaalsContact O-CG 3.32Å; R486-E490 WeakPolarHBondContact O-CG 3.4Å; R486-E490 PolarHBondContact O-N 3.1Å; Q487-E490 PolarHBondContact O-N 3.27Å; E490-R494 WeakPolarHBondContact O-CB 2.98Å; E490-R494 VanDerWaalsContact O-CG 3.27Å; E490-R494 WeakPolarHBondContact O-CG 3.32Å; E490-R494 PolarHBondContact O-N 2.95Å
491	Q	98.8	Very high	98.7	Very high	146 Å²	146	55.4 Å²	55.4	68%	0.682	29%	0.285	S	S	*	.	H	α-helix	trans	-63.8	-43.5	174.7	-174	176.5	16.7	0	0	111.7	Q487 V489	Q487-Q491 VanDerWaalsContact O-CB 3.29Å; Q487-Q491 WeakPolarHBondContact O-CB 3.11Å; Q487-Q491 PolarHBondContact O-N 3.03Å; V489-Q491 PolarHBondContact O-N 2.82Å
492	F	98.8	Very high	98.7	Very high	44 Å²	44	58 Å²	58	19%	0.193	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-49.5	176.6	177.3	-112	0	0	0	111.4	L71 F436 D440 R443 V444 F447 R488 V489 R494 G495 F496	L71-F492 HydrophobicContact CD1-CD1 4.46Å; L71-F492 HydrophobicContact CD2-CD1 4.22Å; L71-F492 HydrophobicContact CD2-CE1 4.42Å; F436-F492 HydrophobicContact CE1-CD1 4.44Å; F436-F492 AromaticContact CE1-CE1 3.62Å; F436-F492 HydrophobicContact CE1-CE1 3.62Å; F436-F492 HydrophobicContact CE1-CZ 4.13Å; F436-F492 HydrophobicContact CZ-CE1 4.2Å; D440-F492 HydrophobicContact CB-CZ 4.12Å; R443-F492 HydrophobicContact CB-CE1 4.47Å; R443-F492 HydrophobicContact CB-CE2 4.42Å; R443-F492 HydrophobicContact CB-CZ 3.96Å; R443-F492 HydrophobicContact CG-CD2 4.41Å; R443-F492 HydrophobicContact CG-CE1 4.21Å; R443-F492 HydrophobicContact CG-CE2 3.94Å; R443-F492 HydrophobicContact CG-CZ 3.83Å; V444-F492 HydrophobicContact CG2-CE1 4.15Å; F447-F492 HydrophobicContact CD2-CD1 4.42Å; F447-F492 HydrophobicContact CE2-CB 4.04Å; F447-F492 AromaticContact CE2-CD1 3.63Å; F447-F492 HydrophobicContact CE2-CD1 3.63Å; F447-F492 HydrophobicContact CE2-CE1 4.2Å; F447-F492 AromaticContact CE2-CG 3.88Å; F447-F492 HydrophobicContact CE2-CG 3.88Å; F447-F492 HydrophobicContact CZ-CB 4.18Å; F447-F492 HydrophobicContact CZ-CG 4.37Å; R488-F492 VanDerWaalsContact O-CB 3.31Å; R488-F492 WeakPolarHBondContact O-CB 3.5Å; R488-F492 PolarHBondContact O-N 3.33Å; V489-F492 PolarHBondContact O-N 2.9Å; F492-R494 PolarHBondContact O-N 3.32Å; F492-G495 PolarHBondContact O-N 3.39Å; F492-G495 VanDerWaalsContact O-N 3.15Å; F492-F496 HydrophobicContact CD1-CE2 4.46Å; F492-F496 HydrophobicContact CD2-CE2 4.25Å; F492-F496 HydrophobicContact CE1-CE2 4.16Å; F492-F496 AromaticContact CE2-CE2 3.9Å; F492-F496 HydrophobicContact CE2-CE2 3.9Å; F492-F496 HydrophobicContact CE2-CZ 4.13Å; F492-F496 AromaticContact CZ-CE2 3.85Å; F492-F496 HydrophobicContact CZ-CE2 3.85Å; F492-F496 AromaticContact CZ-CZ 3.98Å; F492-F496 HydrophobicContact CZ-CZ 3.98Å; F492-F496 VanDerWaalsContact O-CD2 3.28Å; F492-F496 WeakPolarHBondContact O-CD2 3.15Å; F492-F496 WeakPolarHBondContact O-CE2 3.07Å
493	A	98.8	Very high	98.6	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.6	-38.4	-178.8	0	0	0	0	0	112.8	R69 L71 R434 V489 G495 F496	R69-A493 WeakPolarHBondContact O-CB 3.18Å; L71-A493 HydrophobicContact CD2-CB 3.95Å; L71-A493 HydrophobicContact CG-CB 4.34Å; R434-A493 PolarHBondContact NH2-O 3.3Å; V489-A493 WeakPolarHBondContact O-CB 3.45Å; V489-A493 PolarHBondContact O-N 3.2Å; A493-G495 PolarHBondContact O-N 3.03Å; A493-F496 PolarHBondContact O-N 2.95Å
494	R	98.5	Very high	98.5	Very high	118 Å²	118	65 Å²	65	45%	0.445	33%	0.327	S	S	.	.	H	α-helix	trans	-66.7	-16.4	178.1	-74.4	-178.4	-170	-77.7	5.7	114	D65 R69 E490 F492 F496	D65-R494 VanDerWaalsContact CG-NH2 3.28Å; D65-R494 IonicContact OD1-CZ 3.91Å; D65-R494 IonicContact OD1-NH1 2.75Å; D65-R494 PolarHBondContact OD1-NH1 2.72Å; D65-R494 IonicContact OD1-NH2 3.93Å; D65-R494 PolarHBondContact OD1-NH2 3.36Å; D65-R494 IonicContact OD2-NH2 2.88Å; D65-R494 PolarHBondContact OD2-NH2 3.36Å; R69-R494 HydrophobicContact CB-CG 4.26Å; E490-R494 WeakPolarHBondContact O-CB 2.98Å; E490-R494 VanDerWaalsContact O-CG 3.27Å; E490-R494 WeakPolarHBondContact O-CG 3.32Å; E490-R494 PolarHBondContact O-N 2.95Å; F492-R494 PolarHBondContact O-N 3.32Å; R494-F496 PolarHBondContact O-N 3.06Å
495	G	98.4	Very high	98.4	Very high	68 Å²	68	64.3 Å²	64.3	70%	0.701	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.1	173.3	0	0	0	0	0	114.3	F492 A493	F492-G495 PolarHBondContact O-N 3.39Å; F492-G495 VanDerWaalsContact O-N 3.15Å; A493-G495 PolarHBondContact O-N 3.03Å
496	F	98.8	Very high	98.4	Very high	36 Å²	36	67.6 Å²	67.6	16%	0.158	34%	0.339	C	S	.	.	S	Bend	trans	-110.8	146.9	-174.3	-64.4	-94.1	0	0	0	112.8	R434 F436 D440 F492 A493 R494	R434-F496 HydrophobicContact CB-CB 4.22Å; R434-F496 PolarHBondContact NH2-O 3.37Å; F436-F496 HydrophobicContact CD1-CE1 4.37Å; F436-F496 HydrophobicContact CD1-CZ 4.2Å; F436-F496 HydrophobicContact CD2-CB 4.22Å; F436-F496 AromaticContact CD2-CD1 3.39Å; F436-F496 HydrophobicContact CD2-CD1 3.39Å; F436-F496 HydrophobicContact CD2-CD2 4.1Å; F436-F496 AromaticContact CD2-CE1 3.63Å; F436-F496 HydrophobicContact CD2-CE1 3.63Å; F436-F496 HydrophobicContact CD2-CE2 4.31Å; F436-F496 AromaticContact CD2-CG 3.64Å; F436-F496 HydrophobicContact CD2-CG 3.64Å; F436-F496 HydrophobicContact CD2-CZ 4.09Å; F436-F496 HydrophobicContact CE1-CD2 4.29Å; F436-F496 AromaticContact CE1-CE2 3.91Å; F436-F496 HydrophobicContact CE1-CE2 3.91Å; F436-F496 HydrophobicContact CE1-CZ 4.03Å; F436-F496 HydrophobicContact CE2-CB 3.61Å; F436-F496 AromaticContact CE2-CD1 3.43Å; F436-F496 HydrophobicContact CE2-CD1 3.43Å; F436-F496 VanDerWaalsContact CE2-CD1 3.43Å; F436-F496 AromaticContact CE2-CD2 3.27Å; F436-F496 HydrophobicContact CE2-CD2 3.27Å; F436-F496 AromaticContact CE2-CE1 3.82Å; F436-F496 HydrophobicContact CE2-CE1 3.82Å; F436-F496 AromaticContact CE2-CE2 3.68Å; F436-F496 HydrophobicContact CE2-CE2 3.68Å; F436-F496 AromaticContact CE2-CG 3.13Å; F436-F496 HydrophobicContact CE2-CG 3.13Å; F436-F496 AromaticContact CE2-CZ 3.94Å; F436-F496 HydrophobicContact CE2-CZ 3.94Å; F436-F496 HydrophobicContact CG-CD1 4.16Å; F436-F496 AromaticContact CG-CE1 3.93Å; F436-F496 HydrophobicContact CG-CE1 3.93Å; F436-F496 HydrophobicContact CG-CZ 4.22Å; F436-F496 HydrophobicContact CZ-CB 4.49Å; F436-F496 HydrophobicContact CZ-CD1 4.2Å; F436-F496 AromaticContact CZ-CD2 3.37Å; F436-F496 HydrophobicContact CZ-CD2 3.37Å; F436-F496 HydrophobicContact CZ-CE1 4.24Å; F436-F496 AromaticContact CZ-CE2 3.43Å; F436-F496 HydrophobicContact CZ-CE2 3.43Å; F436-F496 VanDerWaalsContact CZ-CE2 3.43Å; F436-F496 AromaticContact CZ-CG 3.78Å; F436-F496 HydrophobicContact CZ-CG 3.78Å; F436-F496 AromaticContact CZ-CZ 3.88Å; F436-F496 HydrophobicContact CZ-CZ 3.88Å; D440-F496 HydrophobicContact CB-CE1 4.47Å; D440-F496 HydrophobicContact CB-CZ 4.1Å; D440-F496 WeakPolarHBondContact OD1-CZ 3.41Å; F492-F496 HydrophobicContact CD1-CE2 4.46Å; F492-F496 HydrophobicContact CD2-CE2 4.25Å; F492-F496 HydrophobicContact CE1-CE2 4.16Å; F492-F496 AromaticContact CE2-CE2 3.9Å; F492-F496 HydrophobicContact CE2-CE2 3.9Å; F492-F496 HydrophobicContact CE2-CZ 4.13Å; F492-F496 AromaticContact CZ-CE2 3.85Å; F492-F496 HydrophobicContact CZ-CE2 3.85Å; F492-F496 AromaticContact CZ-CZ 3.98Å; F492-F496 HydrophobicContact CZ-CZ 3.98Å; F492-F496 VanDerWaalsContact O-CD2 3.28Å; F492-F496 WeakPolarHBondContact O-CD2 3.15Å; F492-F496 WeakPolarHBondContact O-CE2 3.07Å; A493-F496 PolarHBondContact O-N 2.95Å; R494-F496 PolarHBondContact O-N 3.06Å
497	P	98.7	Very high	98.4	Very high	60 Å²	60	65.9 Å²	65.9	39%	0.39	34%	0.338	S	S	.	.			trans	-62.9	158.6	177.4	28	-35.8	0	0	0	112.3	R434 Q435	R434-P497 VanDerWaalsContact CB-O 3.28Å; R434-P497 WeakPolarHBondContact CB-O 3.4Å; R434-P497 VanDerWaalsContact CG-O 3.31Å; R434-P497 WeakPolarHBondContact CG-O 3.43Å; R434-P497 PolarHBondContact NE-O 3.23Å; R434-P497 WeakPolarHBondContact O-CD 3.47Å; Q435-P497 HydrophobicContact CB-CG 4.44Å; Q435-P497 HydrophobicContact CG-CG 3.99Å
498	M	98.8	Very high	98.4	Very high	38 Å²	38	61.9 Å²	61.9	19%	0.187	32%	0.321	C	S	.	.			trans	-122.2	119.2	174.7	-179.9	55.4	74.4	0	0	110.2	Q67 F79	Q67-M498 VanDerWaalsContact C-CE 3.42Å; Q67-M498 HydrophobicContact CB-CE 3.97Å; Q67-M498 WeakPolarHBondContact O-CE 3.35Å; F79-M498 HydrophobicContact CB-SD 4.31Å; F79-M498 HydrophobicContact CD1-CE 4.28Å; F79-M498 HydrophobicContact CD1-SD 3.57Å; F79-M498 VanDerWaalsContact CD1-SD 3.57Å; F79-M498 HydrophobicContact CD2-SD 3.93Å; F79-M498 HydrophobicContact CE1-CE 3.87Å; F79-M498 HydrophobicContact CE1-SD 3.8Å; F79-M498 HydrophobicContact CE2-CE 4.11Å; F79-M498 HydrophobicContact CE2-SD 4.13Å; F79-M498 HydrophobicContact CG-SD 3.65Å; F79-M498 HydrophobicContact CZ-CE 3.77Å; F79-M498 HydrophobicContact CZ-SD 4.07Å
499	P	98.8	Very high	98.3	Very high	37 Å²	37	61.6 Å²	61.6	24%	0.24	33%	0.325	C	S	.	.			trans	-62.7	144.9	170.2	-22.2	33.9	0	0	0	112.3	F79	F79-P499 HydrophobicContact CB-CB 3.9Å; F79-P499 HydrophobicContact CB-CG 3.87Å
500	G	98.6	Very high	98.3	Very high	14 Å²	14	65.7 Å²	65.7	14%	0.144	35%	0.347	C	S	.	.	S	Bend	trans	125	-158.2	175.8	0	0	0	0	0	112.3
501	F	98.6	Very high	98.3	Very high	43 Å²	43	68.1 Å²	68.1	19%	0.189	36%	0.361	C	S	.	.			trans	-77.1	167	168.4	-63.4	-74.1	0	0	0	110.8	K64 R82 L85 E86 H504	K64-F501 WeakPolarHBondContact CE-O 3.42Å; K64-F501 PolarHBondContact NZ-O 3.36Å; R82-F501 HydrophobicContact CG-CD1 3.89Å; R82-F501 HydrophobicContact CG-CE1 3.73Å; R82-F501 HydrophobicContact CG-CZ 4.25Å; L85-F501 HydrophobicContact CB-CD2 4.38Å; L85-F501 HydrophobicContact CB-CE2 3.65Å; L85-F501 HydrophobicContact CB-CZ 4.34Å; L85-F501 HydrophobicContact CD1-CD2 4.28Å; L85-F501 HydrophobicContact CD1-CE2 4.37Å; E86-F501 HydrophobicContact CB-CZ 4.49Å; E86-F501 HydrophobicContact CG-CE1 3.71Å; E86-F501 HydrophobicContact CG-CZ 3.46Å; E86-F501 VanDerWaalsContact CG-CZ 3.46Å; F501-H504 AromaticContact CD2-CD2 4Å; F501-H504 AromaticContact CD2-CE1 3.9Å; F501-H504 AromaticContact CD2-NE2 3.4Å; F501-H504 WeakPolarHBondContact CD2-NE2 3.47Å; F501-H504 AromaticContact CE2-NE2 3.91Å; F501-H504 AromaticContact CG-CE1 3.72Å; F501-H504 AromaticContact CG-NE2 3.72Å
502	D	98	Very high	98.2	Very high	139 Å²	139	62.1 Å²	62.1	74%	0.743	34%	0.336	S	S	*	.	S	Bend	trans	-77.1	-44.2	-175.3	-61	-25.3	0	0	0	111.5
503	E	97.3	Very high	98.2	Very high	118 Å²	118	63.6 Å²	63.6	55%	0.551	35%	0.348	S	S	*	.			trans	-101.2	-15.7	-169.2	-61.3	-178.6	103.8	0	0	114.8	W57	W57-E503 HydrophobicContact CH2-CB 4.08Å; W57-E503 HydrophobicContact CZ2-CB 3.98Å
504	H	94.9	Very high	98.1	Very high	92 Å²	92	69.4 Å²	69.4	43%	0.426	38%	0.38	S	S	.	.			trans	-142.3	0	-176.4	63	-77.8	0	0	0	114	W57 L60 K64 F501	W57-H504 HydrophobicContact CH2-CB 4.45Å; W57-H504 AromaticContact CH2-ND1 3.77Å; W57-H504 HydrophobicContact CZ3-CB 4.21Å; W57-H504 AromaticContact CZ3-ND1 3.85Å; L60-H504 HydrophobicContact CB-CB 3.98Å; L60-H504 HydrophobicContact CD1-CB 4.22Å; K64-H504 PolarHBondContact NZ-O 3.34Å; F501-H504 AromaticContact CD2-CD2 4Å; F501-H504 AromaticContact CD2-CE1 3.9Å; F501-H504 AromaticContact CD2-NE2 3.4Å; F501-H504 WeakPolarHBondContact CD2-NE2 3.47Å; F501-H504 AromaticContact CE2-NE2 3.91Å; F501-H504 AromaticContact CG-CE1 3.72Å; F501-H504 AromaticContact CG-NE2 3.72Å

Retrieved 504 of 504 residues in 238.9 ms (Link to these results)

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