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Short/branched chain specific acyl-CoA dehydrogenase, mitochondrial

Short and branched chain specific acyl-CoA dehydrogenase that catalyzes the removal of one hydrogen from C-2 and C-3 of the fatty acyl-CoA thioester, resulting in the formation of trans-2-enoyl-CoA. Among the different mitochondrial acyl-CoA dehydrogenases, acts specifically on short and branched chain acyl-CoA derivatives such as (S)-2-methylbutyryl-CoA as well as short straight chain acyl-CoAs such as butyryl-CoA. Plays an important role in the metabolism of L-isoleucine by catalyzing the dehydrogenation of 2-methylbutyryl-CoA, one of the steps of the L-isoleucine catabolic pathway. Can also act on valproyl-CoA, a metabolite of the valproic acid drug.

AlphaFold DB , UniProt , Accession A0A061IBC7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Acadsb, Length 432 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	32.6	Very low	250 Å²	250	154.1 Å²	154.1	100%	1.232	85%	0.848	S	S	*	*				0	121.7	0	-66.4	-166.8	-88.6	0	0	106.6
2	A	33.5	Very low	32.3	Very low	89 Å²	89	147.9 Å²	147.9	74%	0.736	85%	0.846	S	S	*	*			cis	-151.6	130.1	4.5	0	0	0	0	0	106
3	V	36	Very low	32.1	Very low	146 Å²	146	142.2 Å²	142.2	89%	0.885	84%	0.839	S	S	*	*				45.1	112.9	101.9	-170.6	0	0	0	0	114.8
4	S	32.6	Very low	32.1	Very low	117 Å²	117	144.4 Å²	144.4	82%	0.818	84%	0.844	S	S	*	*				-172.1	114	127.2	178.8	0	0	0	0	110.8
5	A	35.5	Very low	32.2	Very low	82 Å²	82	146.3 Å²	146.3	68%	0.678	85%	0.848	S	S	*	*			trans	-83.4	150.4	164.7	0	0	0	0	0	109.9
6	L	32.4	Very low	32.3	Very low	175 Å²	175	150.4 Å²	150.4	92%	0.916	85%	0.845	S	S	*	*			trans	-156.1	130.5	135.9	-130.8	96.1	0	0	0	110.9
7	Q	32.7	Very low	32.4	Very low	165 Å²	165	155.1 Å²	155.1	77%	0.771	85%	0.846	S	S	*	*			trans	-73	149.1	176	-67.6	165.7	-50.1	0	0	111.3
8	L	31.3	Very low	32.2	Very low	177 Å²	177	154.8 Å²	154.8	93%	0.927	84%	0.844	S	S	*	*			trans	-144.4	133.9	145.6	-104.7	157.9	0	0	0	109.4
9	W	30	Very low	32.3	Very low	184 Å²	184	156.4 Å²	156.4	70%	0.697	84%	0.842	S	S	*	*			trans	-90.7	149.4	-168	-109.3	34	0	0	0	112.7
10	R	31.4	Very low	32.2	Very low	200 Å²	200	154.6 Å²	154.6	76%	0.755	84%	0.839	S	S	*	*			trans	61.9	114	147.3	-65.7	-176.4	179	-162	0.3	119.3
11	A	29.5	Very low	32.2	Very low	110 Å²	110	155.3 Å²	155.3	91%	0.909	84%	0.839	S	S	*	*				170.6	141.2	102.6	0	0	0	0	0	110.1
12	G	28.8	Very low	32.1	Very low	80 Å²	80	148.9 Å²	148.9	83%	0.825	82%	0.817	S	S	*	*			trans	133.9	82.4	158.2	0	0	0	0	0	116.7
13	G	29.6	Very low	32.2	Very low	74 Å²	74	152.1 Å²	152.1	76%	0.763	82%	0.821	S	S	*	*			trans	65.4	96.2	135.3	0	0	0	0	0	119.3	L15	G13-L15 PolarHBondContact O-N 3.02Å
14	L	32.7	Very low	32.1	Very low	172 Å²	172	148.9 Å²	148.9	90%	0.901	81%	0.805	S	S	*	*			trans	-60.1	110.8	152.4	-91	117.2	0	0	0	109.8	R16	L14-R16 VanDerWaalsContact C-N 3.3Å; L14-R16 PolarHBondContact O-N 2.66Å
15	L	33.7	Very low	32.1	Very low	173 Å²	173	148.2 Å²	148.2	91%	0.906	80%	0.801	S	S	*	*			trans	-69.2	86.8	162.6	-85.7	155.9	0	0	0	109.2	G13 R17	G13-L15 PolarHBondContact O-N 3.02Å; L15-R17 PolarHBondContact O-N 3.48Å
16	R	32.5	Very low	32.1	Very low	213 Å²	213	155.7 Å²	155.7	80%	0.804	81%	0.812	S	S	*	*			trans	-67.4	117.1	158.5	-83	-173.5	173.8	-155	-1	107.9	L14 N18	L14-R16 VanDerWaalsContact C-N 3.3Å; L14-R16 PolarHBondContact O-N 2.66Å; R16-N18 PolarHBondContact O-N 3.13Å
17	R	35.3	Very low	32.4	Very low	229 Å²	229	156 Å²	156	86%	0.864	81%	0.805	S	S	*	*			trans	-62.3	100.2	165	-79.7	177.2	166.3	175.3	-4.9	108.5	L15 F19	L15-R17 PolarHBondContact O-N 3.48Å; R17-F19 PolarHBondContact O-N 2.6Å
18	N	28.7	Very low	32.6	Very low	150 Å²	150	155.6 Å²	155.6	80%	0.802	81%	0.808	S	S	*	*			trans	-73.5	101.3	166	-81.3	-12.6	0	0	0	108.5	R16	R16-N18 PolarHBondContact O-N 3.13Å
19	F	33.8	Very low	32.9	Very low	186 Å²	186	152.3 Å²	152.3	82%	0.816	80%	0.798	S	S	*	*			trans	-74.8	126.9	154.5	-93.9	-90.5	0	0	0	107.5	R17 M21	R17-F19 PolarHBondContact O-N 2.6Å; F19-M21 PolarHBondContact O-N 3.06Å
20	P	30.8	Very low	33.4	Very low	119 Å²	119	149.1 Å²	149.1	77%	0.773	80%	0.801	S	S	*	*			trans	-70.3	107.3	171.7	28.6	-30.6	0	0	0	108.2	C22	P20-C22 PolarHBondContact O-N 3.42Å
21	M	32.2	Very low	33.6	Very low	170 Å²	170	151.3 Å²	151.3	84%	0.837	81%	0.809	S	S	*	*			trans	-60.5	103.1	157.9	-83.8	-179.3	-171.2	0	0	107.1	F19 L23	F19-M21 PolarHBondContact O-N 3.06Å; M21-L23 PolarHBondContact O-N 3.09Å
22	C	31.5	Very low	33.9	Very low	116 Å²	116	152.1 Å²	152.1	78%	0.784	80%	0.802	S	S	*	*			trans	-72	81.3	164.2	-160.1	0	0	0	0	107.2	P20 S24	P20-C22 PolarHBondContact O-N 3.42Å; C22-S24 PolarHBondContact O-N 2.57Å
23	L	34.6	Very low	34.1	Very low	156 Å²	156	156.3 Å²	156.3	82%	0.817	81%	0.805	S	S	*	*			trans	-70.7	80.1	161	-83.7	162.5	0	0	0	106.9	M21 S25	M21-L23 PolarHBondContact O-N 3.09Å; L23-S25 PolarHBondContact O-N 3.42Å
24	S	34.8	Very low	34.3	Very low	78 Å²	78	162 Å²	162	55%	0.545	81%	0.809	S	S	.	*			trans	-68	118.8	167.7	62.2	0	0	0	0	107.7	C22 W26	C22-S24 PolarHBondContact O-N 2.57Å; S24-W26 PolarHBondContact O-N 3.46Å; S24-W26 VanDerWaalsContact O-N 3.14Å
25	S	32.5	Very low	34.5	Very low	104 Å²	104	159.2 Å²	159.2	73%	0.727	80%	0.803	S	S	*	*			trans	-69	107.9	-180	58.3	0	0	0	0	110.3	L23 K27	L23-S25 PolarHBondContact O-N 3.42Å; S25-K27 PolarHBondContact O-N 3Å
26	W	35.9	Very low	35	Very low	239 Å²	239	156.2 Å²	156.2	91%	0.905	80%	0.797	S	S	*	*			trans	-73.7	82.1	164.6	-69.8	72.1	0	0	0	108.3	S24	S24-W26 PolarHBondContact O-N 3.46Å; S24-W26 VanDerWaalsContact O-N 3.14Å
27	K	38	Very low	35.2	Very low	180 Å²	180	154.5 Å²	154.5	78%	0.783	80%	0.798	S	S	*	*			trans	-134.9	6.8	176.3	-86.5	-163	176.9	-175.9	0	116.1	S25	S25-K27 PolarHBondContact O-N 3Å
28	D	37	Very low	35.7	Very low	157 Å²	157	149.1 Å²	149.1	84%	0.84	79%	0.793	S	S	*	*	S	Bend	trans	-120.6	115.1	168.7	-71.1	-43.8	0	0	0	109.9
29	P	38.2	Very low	36.5	Very low	109 Å²	109	150.7 Å²	150.7	71%	0.708	80%	0.796	S	S	*	*			trans	-66	145.9	172.8	28.2	-31.1	0	0	0	109	R31	P29-R31 PolarHBondContact O-N 2.9Å
30	P	41	Very low	36.9	Very low	116 Å²	116	146 Å²	146	75%	0.753	79%	0.791	S	S	*	*			trans	-57.2	129.9	174.8	22.9	-31	0	0	0	109.1	V32	P30-V32 PolarHBondContact O-N 3.21Å
31	R	35	Very low	37.5	Very low	247 Å²	247	148.3 Å²	148.3	93%	0.932	80%	0.796	S	S	*	*			trans	-55.3	102.7	172	-82.7	-174.3	-176.7	-156.7	1.1	108.5	P29 L33	P29-R31 PolarHBondContact O-N 2.9Å; R31-L33 PolarHBondContact O-N 2.85Å
32	V	35.2	Very low	37.9	Very low	126 Å²	126	147.1 Å²	147.1	76%	0.764	79%	0.792	S	S	*	*			trans	-60.3	109.5	166.7	178.4	0	0	0	0	106.3	P30 K34	P30-V32 PolarHBondContact O-N 3.21Å; V32-K34 VanDerWaalsContact C-N 3.34Å; V32-K34 PolarHBondContact O-N 2.94Å
33	L	33.8	Very low	38.6	Very low	169 Å²	169	146.7 Å²	146.7	89%	0.885	79%	0.791	S	S	*	*			trans	-57.3	106.7	158.7	-96.4	148.6	0	0	0	105.5	R31 S35	R31-L33 PolarHBondContact O-N 2.85Å; L33-S35 PolarHBondContact O-N 3.39Å
34	K	34.1	Very low	39.3	Very low	193 Å²	193	145.6 Å²	145.6	84%	0.839	78%	0.783	S	S	*	*			trans	-54.9	102.9	172.7	-77.1	-177.4	176	-177.5	0	107.2	V32 S36	V32-K34 VanDerWaalsContact C-N 3.34Å; V32-K34 PolarHBondContact O-N 2.94Å; K34-S36 VanDerWaalsContact C-N 3.34Å; K34-S36 PolarHBondContact O-N 2.95Å
35	S	36.8	Very low	39.7	Very low	113 Å²	113	147 Å²	147	79%	0.79	79%	0.788	S	S	*	*			trans	-58.6	104.6	160.4	168.6	0	0	0	0	106.3	L33 Q37	L33-S35 PolarHBondContact O-N 3.39Å; S35-Q37 PolarHBondContact O-N 2.8Å; S35-Q37 VanDerWaalsContact O-N 3.08Å
36	S	42.7	Very low	40.3	Very low	110 Å²	110	150.1 Å²	150.1	77%	0.769	80%	0.797	S	S	*	*			trans	-73.3	91.7	172.6	51.1	0	0	0	0	108.4	K34	K34-S36 VanDerWaalsContact C-N 3.34Å; K34-S36 PolarHBondContact O-N 2.95Å
37	Q	38.4	Very low	41	Very low	177 Å²	177	146.8 Å²	146.8	83%	0.827	80%	0.797	S	S	*	*			trans	-164.6	143.2	136.3	-80.7	-143.7	-21	0	0	109.6	S35	S35-Q37 PolarHBondContact O-N 2.8Å; S35-Q37 VanDerWaalsContact O-N 3.08Å
38	P	44.8	Very low	41.5	Very low	117 Å²	117	142.2 Å²	142.2	76%	0.76	79%	0.792	S	S	*	*			trans	-77.7	145.5	-165.4	29.9	-29.2	0	0	0	112.1	A40	P38-A40 PolarHBondContact O-N 3.13Å
39	E	44.9	Very low	42.4	Very low	183 Å²	183	140.1 Å²	140.1	86%	0.855	78%	0.781	S	S	*	*			trans	-53	108.3	158.8	-77.6	164.6	160.2	0	0	107.7	L41	E39-L41 PolarHBondContact O-N 2.93Å
40	A	42.5	Very low	43.5	Very low	87 Å²	87	138.6 Å²	138.6	72%	0.719	78%	0.777	S	S	*	*			trans	-68.7	88.4	169.7	0	0	0	0	0	107.7	P38 L42	P38-A40 PolarHBondContact O-N 3.13Å; A40-L42 PolarHBondContact O-N 3.15Å
41	L	43.9	Very low	45.3	Very low	167 Å²	167	142.7 Å²	142.7	87%	0.874	78%	0.784	S	S	*	*			trans	-62.9	89.1	161	-98.1	152.1	0	0	0	107.4	E39 S43	E39-L41 PolarHBondContact O-N 2.93Å; L41-S43 PolarHBondContact O-N 3.03Å
42	L	41.2	Very low	48	Very low	146 Å²	146	133 Å²	133	76%	0.764	76%	0.756	S	S	*	*			trans	-72.2	111.4	171.2	-86.7	160.4	0	0	0	108.3	A40 M44	A40-L42 PolarHBondContact O-N 3.15Å; L42-M44 PolarHBondContact O-N 3.04Å; L42-M44 VanDerWaalsContact O-N 3.1Å
43	S	45.3	Very low	50.9	Low	107 Å²	107	130.5 Å²	130.5	75%	0.748	74%	0.742	S	S	*	*			trans	-48	112.3	164.3	165.7	0	0	0	0	109.7	L41 T45	L41-S43 PolarHBondContact O-N 3.03Å; S43-T45 PolarHBondContact O-N 3Å
44	M	50.5	Low	53.8	Low	133 Å²	133	124.8 Å²	124.8	66%	0.655	71%	0.713	S	S	*	*			trans	-80.8	110.2	-175.1	-66.1	-140.5	170.6	0	0	110.9	L42	L42-M44 PolarHBondContact O-N 3.04Å; L42-M44 VanDerWaalsContact O-N 3.1Å
45	T	42.4	Very low	56.6	Low	106 Å²	106	120.3 Å²	120.3	65%	0.65	70%	0.695	S	S	*	*			trans	-117.8	140.9	161.7	47.2	0	0	0	0	109.2	S43 N47	S43-T45 PolarHBondContact O-N 3Å; T45-N47 PolarHBondContact O-N 2.91Å
46	N	45.8	Very low	59.4	Low	171 Å²	171	117.7 Å²	117.7	91%	0.914	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	20	-158.1	-87.3	-13.8	0	0	0	119
47	N	50.2	Low	62	Low	168 Å²	168	113.3 Å²	113.3	90%	0.898	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139	15.9	-179.9	-96.9	-14.1	0	0	0	115.6	T45	T45-N47 PolarHBondContact O-N 2.91Å
48	A	48.3	Very low	64.7	Low	84 Å²	84	108.1 Å²	108.1	69%	0.694	62%	0.622	S	S	*	*			trans	-103.8	7.4	-167.7	0	0	0	0	0	117.4
49	L	54.8	Low	67.1	Low	113 Å²	113	108 Å²	108	59%	0.592	62%	0.615	S	S	*	*			trans	-113.2	33.1	-173.5	-73	169.7	0	0	0	114.8	F51 A52 T56	L49-F51 PolarHBondContact O-N 3.25Å; L49-A52 HydrophobicContact CD2-CB 3.49Å; L49-A52 VanDerWaalsContact CD2-CB 3.49Å; L49-T56 HydrophobicContact CD2-CG2 4.33Å
50	A	62.1	Low	69.4	Low	77 Å²	77	103.7 Å²	103.7	64%	0.636	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-26.4	179.4	0	0	0	0	0	113.5
51	F	77.9	Confident	72	Confident	203 Å²	203	99.7 Å²	99.7	89%	0.89	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.9	46.7	-175	-52.6	-71.8	0	0	0	113.7	L49	L49-F51 PolarHBondContact O-N 3.25Å
52	A	92.6	Very high	74.6	Confident	42 Å²	42	96.5 Å²	96.5	35%	0.347	54%	0.543	S	S	.	.			trans	-69.3	151.4	175.6	0	0	0	0	0	112.7	L49 T56	L49-A52 HydrophobicContact CD2-CB 3.49Å; L49-A52 VanDerWaalsContact CD2-CB 3.49Å; A52-T56 HydrophobicContact CB-CG2 4.16Å
53	P	95.1	Very high	77.2	Confident	74 Å²	74	96.3 Å²	96.3	48%	0.481	54%	0.54	S	S	.	.			trans	-54.9	147.2	167.5	-23	33.2	0	0	0	112	Q55 T56	P53-Q55 VanDerWaalsContact CB-CD 3.45Å; P53-Q55 HydrophobicContact CB-CG 4.22Å; P53-Q55 VanDerWaalsContact CB-OE1 3.27Å; P53-Q55 PolarHBondContact O-N 3.42Å; P53-Q55 VanDerWaalsContact O-N 3.1Å; P53-T56 VanDerWaalsContact O-CB 3.26Å; P53-T56 WeakPolarHBondContact O-CB 3.41Å; P53-T56 PolarHBondContact O-N 3.21Å; P53-T56 PolarHBondContact O-OG1 3.44Å
54	L	94.7	Very high	79.6	Confident	50 Å²	50	92.4 Å²	92.4	26%	0.262	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21	-177.4	-80.2	168.6	0	0	0	114.1	T56 L348 N352 R355	L54-T56 VanDerWaalsContact C-N 3.32Å; L54-L348 HydrophobicContact CB-CD2 3.93Å; L54-L348 HydrophobicContact CD1-CB 4.19Å; L54-L348 HydrophobicContact CD1-CD2 4.03Å; L54-N352 HydrophobicContact CD1-CB 3.9Å; L54-N352 HydrophobicContact CD2-CB 4.4Å; L54-R355 HydrophobicContact CD2-CG 4.3Å
55	Q	94	Very high	81.9	Confident	99 Å²	99	88.7 Å²	88.7	46%	0.463	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-0.9	175.6	65.1	-87	33.2	0	0	113.6	P53 L57	P53-Q55 VanDerWaalsContact CB-CD 3.45Å; P53-Q55 HydrophobicContact CB-CG 4.22Å; P53-Q55 VanDerWaalsContact CB-OE1 3.27Å; P53-Q55 PolarHBondContact O-N 3.42Å; P53-Q55 VanDerWaalsContact O-N 3.1Å; Q55-L57 PolarHBondContact O-N 3.09Å
56	T	96.3	Very high	84.6	Confident	57 Å²	57	87.9 Å²	87.9	35%	0.35	48%	0.479	S	S	.	.			trans	-72.5	108.6	168.2	-61.5	0	0	0	0	108.4	L49 A52 P53 L54	L49-T56 HydrophobicContact CD2-CG2 4.33Å; A52-T56 HydrophobicContact CB-CG2 4.16Å; P53-T56 VanDerWaalsContact O-CB 3.26Å; P53-T56 WeakPolarHBondContact O-CB 3.41Å; P53-T56 PolarHBondContact O-N 3.21Å; P53-T56 PolarHBondContact O-OG1 3.44Å; L54-T56 VanDerWaalsContact C-N 3.32Å
57	L	95.4	Very high	87.1	Confident	19 Å²	19	82.2 Å²	82.2	10%	0.099	46%	0.456	C	S	.	.			trans	-93.9	149.6	-179.9	-56.7	-170.2	0	0	0	110.3	Q55 E61 M62 K65 F119 I123	Q55-L57 PolarHBondContact O-N 3.09Å; L57-E61 WeakPolarHBondContact CA-OE2 3.32Å; L57-E61 HydrophobicContact CB-CB 3.96Å; L57-M62 HydrophobicContact CB-CB 4.34Å; L57-K65 HydrophobicContact CD1-CD 3.98Å; L57-F119 HydrophobicContact CD2-CE1 3.48Å; L57-F119 VanDerWaalsContact CD2-CE1 3.48Å; L57-F119 HydrophobicContact CD2-CZ 4.02Å; L57-I123 HydrophobicContact CD1-CD1 4.47Å; L57-I123 HydrophobicContact CD2-CD1 4.35Å
58	T	95.8	Very high	89.4	Confident	67 Å²	67	74.3 Å²	74.3	41%	0.411	41%	0.414	S	S	.	.			trans	-67.1	163.4	164.3	70.5	0	0	0	0	110.2	E60 E61 M62	T58-E60 PolarHBondContact O-N 2.94Å; T58-E61 PolarHBondContact N-OE2 3.16Å; T58-E61 PolarHBondContact O-N 3.29Å; T58-E61 WeakPolarHBondContact OG1-CB 3.37Å; T58-E61 VanDerWaalsContact OG1-CG 3.25Å; T58-E61 WeakPolarHBondContact OG1-CG 3.29Å; T58-E61 PolarHBondContact OG1-N 2.88Å; T58-E61 VanDerWaalsContact OG1-N 3.15Å; T58-M62 WeakPolarHBondContact O-CB 3.21Å; T58-M62 PolarHBondContact O-N 3.11Å
59	D	95.2	Very high	91.8	Very high	114 Å²	114	74 Å²	74	61%	0.61	40%	0.397	S	S	*	.	H	α-helix	trans	-57.9	-39.9	176.3	-66.9	-19.1	0	0	0	111.5	M62 M63	D59-M62 PolarHBondContact O-N 3.31Å; D59-M63 WeakPolarHBondContact O-CB 3.17Å; D59-M63 WeakPolarHBondContact O-CG 3.26Å; D59-M63 PolarHBondContact O-N 2.6Å
60	E	94.3	Very high	93.9	Very high	94 Å²	94	74.1 Å²	74.1	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-64.4	-47.3	176.9	-174.1	-176.6	180	0	0	112	T58 M62 M63 M64 A116	T58-E60 PolarHBondContact O-N 2.94Å; E60-M62 VanDerWaalsContact C-N 3.31Å; E60-M62 PolarHBondContact O-N 3.02Å; E60-M63 PolarHBondContact O-N 3.48Å; E60-M64 WeakPolarHBondContact O-CB 3.5Å; E60-M64 PolarHBondContact O-N 2.91Å; E60-A116 WeakPolarHBondContact OE1-CB 3.47Å
61	E	97.2	Very high	95.6	Very high	3 Å²	3	71.1 Å²	71.1	1%	0.014	37%	0.366	C	S	.	.	H	α-helix	trans	-61.2	-40.9	177.4	-73.3	164.3	176.2	0	0	111.3	L57 T58 K65 F119 S120 R355	L57-E61 WeakPolarHBondContact CA-OE2 3.32Å; L57-E61 HydrophobicContact CB-CB 3.96Å; T58-E61 PolarHBondContact N-OE2 3.16Å; T58-E61 PolarHBondContact O-N 3.29Å; T58-E61 WeakPolarHBondContact OG1-CB 3.37Å; T58-E61 VanDerWaalsContact OG1-CG 3.25Å; T58-E61 WeakPolarHBondContact OG1-CG 3.29Å; T58-E61 PolarHBondContact OG1-N 2.88Å; T58-E61 VanDerWaalsContact OG1-N 3.15Å; E61-K65 WeakPolarHBondContact O-CB 3.01Å; E61-K65 PolarHBondContact O-N 3.33Å; E61-F119 HydrophobicContact CG-CD1 4.09Å; E61-F119 WeakPolarHBondContact OE1-CD1 3.4Å; E61-S120 WeakPolarHBondContact CG-OG 3.37Å; E61-R355 VanDerWaalsContact CD-NH2 3.31Å; E61-R355 IonicContact OE1-CZ 2.73Å; E61-R355 IonicContact OE1-NH1 3.54Å; E61-R355 PolarHBondContact OE1-NH1 3.11Å; E61-R355 IonicContact OE1-NH2 3.61Å; E61-R355 PolarHBondContact OE1-NH2 3Å; E61-R355 VanDerWaalsContact OE1-NH2 3.08Å; E61-R355 IonicContact OE2-CZ 3.9Å; E61-R355 IonicContact OE2-NH1 3.08Å; E61-R355 IonicContact OE2-NH2 3.33Å; E61-R355 PolarHBondContact OE2-NH2 2.95Å
62	M	97.3	Very high	96.6	Very high	100 Å²	100	61.5 Å²	61.5	49%	0.493	32%	0.323	S	S	.	.	H	α-helix	trans	-68.1	-44.7	177.6	-172.3	179.5	-62	0	0	112	L57 T58 D59 E60 M64 K65 E66	L57-M62 HydrophobicContact CB-CB 4.34Å; T58-M62 WeakPolarHBondContact O-CB 3.21Å; T58-M62 PolarHBondContact O-N 3.11Å; D59-M62 PolarHBondContact O-N 3.31Å; E60-M62 VanDerWaalsContact C-N 3.31Å; E60-M62 PolarHBondContact O-N 3.02Å; M62-M64 VanDerWaalsContact C-N 3.33Å; M62-M64 PolarHBondContact O-N 2.75Å; M62-K65 WeakPolarHBondContact O-CB 3.25Å; M62-K65 PolarHBondContact O-N 2.93Å; M62-E66 PolarHBondContact O-N 2.98Å; M62-E66 VanDerWaalsContact O-N 3.09Å
63	M	96.1	Very high	96.9	Very high	141 Å²	141	64.8 Å²	64.8	70%	0.695	33%	0.331	S	S	*	.	H	α-helix	trans	-60.7	-43.8	176.2	-76.6	175.9	61.8	0	0	111.3	D59 E60 E66 A67	D59-M63 WeakPolarHBondContact O-CB 3.17Å; D59-M63 WeakPolarHBondContact O-CG 3.26Å; D59-M63 PolarHBondContact O-N 2.6Å; E60-M63 PolarHBondContact O-N 3.48Å; M63-E66 PolarHBondContact O-N 2.78Å; M63-A67 WeakPolarHBondContact O-CB 3.13Å; M63-A67 PolarHBondContact O-N 2.84Å
64	M	96.4	Very high	97.1	Very high	25 Å²	25	66.2 Å²	66.2	12%	0.123	33%	0.332	C	S	.	.	H	α-helix	trans	-64.4	-43.5	178.1	-170.2	169.4	-67.3	0	0	111.5	E60 M62 E66 A67 V68 I105 T114 A116 V124	E60-M64 WeakPolarHBondContact O-CB 3.5Å; E60-M64 PolarHBondContact O-N 2.91Å; M62-M64 VanDerWaalsContact C-N 3.33Å; M62-M64 PolarHBondContact O-N 2.75Å; M64-E66 PolarHBondContact O-N 2.9Å; M64-A67 PolarHBondContact O-N 2.81Å; M64-V68 HydrophobicContact CG-CG2 4.47Å; M64-V68 WeakPolarHBondContact O-CG2 3.36Å; M64-V68 PolarHBondContact O-N 2.79Å; M64-I105 HydrophobicContact CE-CG2 4.5Å; M64-I105 HydrophobicContact SD-CG2 4.2Å; M64-T114 HydrophobicContact CE-CG2 3.99Å; M64-A116 HydrophobicContact CE-CB 3.79Å; M64-V124 HydrophobicContact CG-CG2 3.59Å; M64-V124 HydrophobicContact SD-CG2 3.42Å; M64-V124 WeakPolarHBondContact SD-CG2 3.45Å
65	K	98.4	Very high	97.3	Very high	55 Å²	55	68.9 Å²	68.9	24%	0.239	34%	0.343	C	S	.	.	H	α-helix	trans	-53.6	-52.8	174.6	-170.8	-174.5	179.1	-176.3	0	112.2	L57 E61 M62 V68 K69 I123 E127	L57-K65 HydrophobicContact CD1-CD 3.98Å; E61-K65 WeakPolarHBondContact O-CB 3.01Å; E61-K65 PolarHBondContact O-N 3.33Å; M62-K65 WeakPolarHBondContact O-CB 3.25Å; M62-K65 PolarHBondContact O-N 2.93Å; K65-V68 PolarHBondContact O-N 3.34Å; K65-K69 WeakPolarHBondContact O-CB 3.34Å; K65-K69 PolarHBondContact O-N 3.18Å; K65-I123 HydrophobicContact CB-CG2 3.6Å; K65-I123 HydrophobicContact CD-CG2 4.44Å; K65-I123 HydrophobicContact CG-CG2 3.8Å; K65-E127 WeakPolarHBondContact CE-OE1 3.41Å; K65-E127 HydrophobicContact CG-CG 3.64Å; K65-E127 WeakPolarHBondContact CG-OE1 3.33Å
66	E	98.5	Very high	97.5	Very high	89 Å²	89	64.2 Å²	64.2	42%	0.416	32%	0.321	S	S	.	.	H	α-helix	trans	-69	-36	-177.4	-68.4	-56.5	137.1	0	0	112.2	M62 M63 M64 K69 K70	M62-E66 PolarHBondContact O-N 2.98Å; M62-E66 VanDerWaalsContact O-N 3.09Å; M63-E66 PolarHBondContact O-N 2.78Å; M64-E66 PolarHBondContact O-N 2.9Å; E66-K69 IonicContact OE1-NZ 2.93Å; E66-K69 IonicContact OE2-NZ 2.67Å; E66-K69 PolarHBondContact OE2-NZ 2.76Å; E66-K70 WeakPolarHBondContact O-CB 3.33Å; E66-K70 PolarHBondContact O-N 2.91Å
67	A	98.4	Very high	97.6	Very high	52 Å²	52	63.6 Å²	63.6	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-46.6	174.5	0	0	0	0	0	111.8	M63 M64 K70 F71	M63-A67 WeakPolarHBondContact O-CB 3.13Å; M63-A67 PolarHBondContact O-N 2.84Å; M64-A67 PolarHBondContact O-N 2.81Å; A67-K70 PolarHBondContact O-N 2.92Å; A67-F71 WeakPolarHBondContact O-CB 3.48Å; A67-F71 PolarHBondContact O-N 3.02Å
68	V	98.8	Very high	97.8	Very high	3 Å²	3	67 Å²	67	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-67.2	-42	178.6	174.1	0	0	0	0	111.8	M64 K65 K70 F71 A72 L102 V124 E127 L128	M64-V68 HydrophobicContact CG-CG2 4.47Å; M64-V68 WeakPolarHBondContact O-CG2 3.36Å; M64-V68 PolarHBondContact O-N 2.79Å; K65-V68 PolarHBondContact O-N 3.34Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 3.13Å; V68-F71 PolarHBondContact O-N 2.76Å; V68-A72 VanDerWaalsContact O-CB 3.28Å; V68-A72 WeakPolarHBondContact O-CB 3.46Å; V68-A72 PolarHBondContact O-N 3.31Å; V68-L102 HydrophobicContact CG2-CD1 3.87Å; V68-L102 HydrophobicContact CG2-CD2 3.51Å; V68-L102 HydrophobicContact CG2-CG 4.36Å; V68-V124 HydrophobicContact CG1-CG1 4.37Å; V68-V124 HydrophobicContact CG2-CB 4.38Å; V68-V124 HydrophobicContact CG2-CG1 4.08Å; V68-V124 HydrophobicContact CG2-CG2 3.86Å; V68-E127 HydrophobicContact CB-CB 4.2Å; V68-E127 HydrophobicContact CG1-CB 3.68Å; V68-L128 HydrophobicContact CG1-CD2 3.86Å; V68-L128 HydrophobicContact CG1-CG 3.77Å
69	K	98.8	Very high	97.9	Very high	76 Å²	76	66.1 Å²	66.1	33%	0.33	34%	0.338	S	S	.	.	H	α-helix	trans	-56.9	-46.4	175	176.6	-179.8	167.3	-162.4	0	111.5	K65 E66 A72 Q73	K65-K69 WeakPolarHBondContact O-CB 3.34Å; K65-K69 PolarHBondContact O-N 3.18Å; E66-K69 IonicContact OE1-NZ 2.93Å; E66-K69 IonicContact OE2-NZ 2.67Å; E66-K69 PolarHBondContact OE2-NZ 2.76Å; K69-A72 PolarHBondContact O-N 3.18Å; K69-Q73 WeakPolarHBondContact O-CB 3.3Å; K69-Q73 VanDerWaalsContact O-CG 3.22Å; K69-Q73 WeakPolarHBondContact O-CG 3.47Å; K69-Q73 PolarHBondContact O-N 3.35Å
70	K	98.7	Very high	98.1	Very high	117 Å²	117	61.4 Å²	61.4	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-49.4	176.1	-175.8	-177.9	177.3	-173.8	0	111.5	E66 A67 V68 A72 Q73 E74	E66-K70 WeakPolarHBondContact O-CB 3.33Å; E66-K70 PolarHBondContact O-N 2.91Å; A67-K70 PolarHBondContact O-N 2.92Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 3.13Å; K70-A72 VanDerWaalsContact C-N 3.34Å; K70-A72 PolarHBondContact O-N 2.82Å; K70-Q73 PolarHBondContact O-N 2.84Å; K70-E74 VanDerWaalsContact CE-CD 3.43Å; K70-E74 WeakPolarHBondContact CE-OE1 3.42Å; K70-E74 WeakPolarHBondContact CE-OE2 3.33Å; K70-E74 HydrophobicContact CG-CG 4.32Å; K70-E74 WeakPolarHBondContact CG-OE1 2.72Å; K70-E74 WeakPolarHBondContact O-CB 3.44Å; K70-E74 WeakPolarHBondContact O-CG 3.45Å; K70-E74 PolarHBondContact O-N 3.35Å
71	F	98.8	Very high	98.3	Very high	14 Å²	14	60.8 Å²	60.8	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-57.2	-46.3	177.5	167.9	-108.5	0	0	0	112	A67 V68 Q73 E74 Q75 I76 L97 Q100 L102 L128	A67-F71 WeakPolarHBondContact O-CB 3.48Å; A67-F71 PolarHBondContact O-N 3.02Å; V68-F71 PolarHBondContact O-N 2.76Å; F71-Q73 PolarHBondContact O-N 3.25Å; F71-E74 PolarHBondContact O-N 3.12Å; F71-Q75 HydrophobicContact CD2-CB 3.81Å; F71-Q75 HydrophobicContact CD2-CG 3.64Å; F71-Q75 HydrophobicContact CE2-CB 3.63Å; F71-Q75 HydrophobicContact CE2-CG 3.8Å; F71-Q75 HydrophobicContact CZ-CB 4.39Å; F71-Q75 VanDerWaalsContact O-CB 3.31Å; F71-Q75 WeakPolarHBondContact O-CB 3.14Å; F71-Q75 PolarHBondContact O-N 2.9Å; F71-I76 HydrophobicContact CD1-CD1 3.99Å; F71-I76 HydrophobicContact CE1-CD1 3.48Å; F71-I76 VanDerWaalsContact CE1-CD1 3.48Å; F71-I76 HydrophobicContact CE1-CG1 4.06Å; F71-I76 HydrophobicContact CZ-CD1 4.15Å; F71-I76 HydrophobicContact CZ-CG1 4.26Å; F71-L97 HydrophobicContact CE1-CD2 3.91Å; F71-Q100 HydrophobicContact CD2-CG 3.86Å; F71-Q100 HydrophobicContact CE2-CG 4.15Å; F71-Q100 HydrophobicContact CG-CG 4.12Å; F71-L102 HydrophobicContact CD1-CD1 4.04Å; F71-L102 HydrophobicContact CE1-CD1 4.2Å; F71-L128 HydrophobicContact CD1-CD2 4.32Å; F71-L128 HydrophobicContact CE1-CD2 4.32Å
72	A	98.8	Very high	98.4	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.337	C	S	.	.	I	π-helix	trans	-64.2	-41.2	180	0	0	0	0	0	111.9	V68 K69 K70 I76 A77 L128 V131	V68-A72 VanDerWaalsContact O-CB 3.28Å; V68-A72 WeakPolarHBondContact O-CB 3.46Å; V68-A72 PolarHBondContact O-N 3.31Å; K69-A72 PolarHBondContact O-N 3.18Å; K70-A72 VanDerWaalsContact C-N 3.34Å; K70-A72 PolarHBondContact O-N 2.82Å; A72-I76 HydrophobicContact CB-CD1 4.22Å; A72-I76 WeakPolarHBondContact O-CA 3.07Å; A72-I76 WeakPolarHBondContact O-CB 3.42Å; A72-I76 PolarHBondContact O-N 2.71Å; A72-A77 PolarHBondContact O-N 3.43Å; A72-L128 HydrophobicContact CB-CD2 4.42Å; A72-V131 HydrophobicContact CB-CB 4.08Å; A72-V131 HydrophobicContact CB-CG2 3.65Å
73	Q	98.6	Very high	98.5	Very high	111 Å²	111	59 Å²	59	52%	0.519	31%	0.314	S	S	.	.	I	π-helix	trans	-67.5	-42.3	177	-72.2	172.7	-2.3	0	0	113	K69 K70 F71 A77	K69-Q73 WeakPolarHBondContact O-CB 3.3Å; K69-Q73 VanDerWaalsContact O-CG 3.22Å; K69-Q73 WeakPolarHBondContact O-CG 3.47Å; K69-Q73 PolarHBondContact O-N 3.35Å; K70-Q73 PolarHBondContact O-N 2.84Å; F71-Q73 PolarHBondContact O-N 3.25Å; Q73-A77 WeakPolarHBondContact O-CB 3.4Å
74	E	98.6	Very high	98.6	Very high	104 Å²	104	52.7 Å²	52.7	49%	0.486	28%	0.283	S	S	.	.	I	π-helix	trans	-84.2	-37.3	-173.4	-68.4	179	176.4	0	0	113	K70 F71	K70-E74 VanDerWaalsContact CE-CD 3.43Å; K70-E74 WeakPolarHBondContact CE-OE1 3.42Å; K70-E74 WeakPolarHBondContact CE-OE2 3.33Å; K70-E74 HydrophobicContact CG-CG 4.32Å; K70-E74 WeakPolarHBondContact CG-OE1 2.72Å; K70-E74 WeakPolarHBondContact O-CB 3.44Å; K70-E74 WeakPolarHBondContact O-CG 3.45Å; K70-E74 PolarHBondContact O-N 3.35Å; F71-E74 PolarHBondContact O-N 3.12Å
75	Q	98.7	Very high	98.7	Very high	107 Å²	107	58.2 Å²	58.2	50%	0.5	31%	0.309	S	S	.	.	I	π-helix	trans	-109.8	-29	-169.2	-54.4	-58.2	-46.1	0	0	113.6	F71 L79	F71-Q75 HydrophobicContact CD2-CB 3.81Å; F71-Q75 HydrophobicContact CD2-CG 3.64Å; F71-Q75 HydrophobicContact CE2-CB 3.63Å; F71-Q75 HydrophobicContact CE2-CG 3.8Å; F71-Q75 HydrophobicContact CZ-CB 4.39Å; F71-Q75 VanDerWaalsContact O-CB 3.31Å; F71-Q75 WeakPolarHBondContact O-CB 3.14Å; F71-Q75 PolarHBondContact O-N 2.9Å; Q75-L79 WeakPolarHBondContact O-CD1 3.29Å
76	I	98.9	Very high	98.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.323	C	S	.	.	I	π-helix	trans	-99.2	-50.9	-176.1	-60.5	170.3	0	0	0	111.2	F71 A72 P78 L79 V80 M83 V93 L128 V131 D132 V135	F71-I76 HydrophobicContact CD1-CD1 3.99Å; F71-I76 HydrophobicContact CE1-CD1 3.48Å; F71-I76 VanDerWaalsContact CE1-CD1 3.48Å; F71-I76 HydrophobicContact CE1-CG1 4.06Å; F71-I76 HydrophobicContact CZ-CD1 4.15Å; F71-I76 HydrophobicContact CZ-CG1 4.26Å; A72-I76 HydrophobicContact CB-CD1 4.22Å; A72-I76 WeakPolarHBondContact O-CA 3.07Å; A72-I76 WeakPolarHBondContact O-CB 3.42Å; A72-I76 PolarHBondContact O-N 2.71Å; I76-P78 VanDerWaalsContact C-N 3.31Å; I76-P78 VanDerWaalsContact O-N 3.14Å; I76-L79 PolarHBondContact O-N 3.11Å; I76-V80 HydrophobicContact CG2-CG2 4.07Å; I76-V80 WeakPolarHBondContact O-CG2 3.41Å; I76-V80 PolarHBondContact O-N 3.41Å; I76-M83 HydrophobicContact CG2-CE 4.35Å; I76-V93 HydrophobicContact CD1-CG1 4.42Å; I76-V93 HydrophobicContact CG1-CG1 4.11Å; I76-V93 HydrophobicContact CG1-CG2 4.47Å; I76-L128 HydrophobicContact CD1-CD2 3.57Å; I76-V131 HydrophobicContact CB-CG1 4.23Å; I76-V131 HydrophobicContact CG2-CG1 3.95Å; I76-D132 HydrophobicContact CG2-CB 3.96Å; I76-V135 HydrophobicContact CD1-CG1 3.79Å; I76-V135 HydrophobicContact CG2-CG2 3.95Å
77	A	98.8	Very high	98.7	Very high	44 Å²	44	57.1 Å²	57.1	36%	0.364	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-50.3	-41.4	-173.4	0	0	0	0	0	114.1	A72 Q73 L79 V80 V131	A72-A77 PolarHBondContact O-N 3.43Å; Q73-A77 WeakPolarHBondContact O-CB 3.4Å; A77-L79 PolarHBondContact O-N 3.42Å; A77-L79 VanDerWaalsContact O-N 3.16Å; A77-V80 PolarHBondContact O-N 3.16Å; A77-V131 HydrophobicContact CB-CG1 3.69Å
78	P	98.8	Very high	98.8	Very high	92 Å²	92	59.8 Å²	59.8	60%	0.597	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-64.4	-18.1	178	-23.3	35.8	0	0	0	115	I76	I76-P78 VanDerWaalsContact C-N 3.31Å; I76-P78 VanDerWaalsContact O-N 3.14Å
79	L	98.9	Very high	98.8	Very high	47 Å²	47	59.9 Å²	59.9	25%	0.246	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-104.5	-13.8	-173	-57.9	175.9	0	0	0	113.1	Q75 I76 A77 S81 T82 M83 E90 V93	Q75-L79 WeakPolarHBondContact O-CD1 3.29Å; I76-L79 PolarHBondContact O-N 3.11Å; A77-L79 PolarHBondContact O-N 3.42Å; A77-L79 VanDerWaalsContact O-N 3.16Å; L79-S81 PolarHBondContact O-N 3.26Å; L79-T82 PolarHBondContact O-N 2.86Å; L79-M83 HydrophobicContact CB-CE 4.03Å; L79-M83 HydrophobicContact CB-CG 4.28Å; L79-M83 HydrophobicContact CB-SD 4.35Å; L79-M83 WeakPolarHBondContact O-CB 3.39Å; L79-M83 WeakPolarHBondContact O-CG 3.49Å; L79-M83 PolarHBondContact O-N 2.99Å; L79-E90 HydrophobicContact CD1-CB 4.12Å; L79-E90 HydrophobicContact CD1-CG 4.21Å; L79-V93 HydrophobicContact CD1-CG2 3.76Å
80	V	98.9	Very high	98.7	Very high	16 Å²	16	59.3 Å²	59.3	10%	0.097	31%	0.311	C	S	.	.	H	α-helix	trans	-54.3	-50.3	-170.1	175.7	0	0	0	0	112.8	I76 A77 T82 M83 D84 V131 D132 K402	I76-V80 HydrophobicContact CG2-CG2 4.07Å; I76-V80 WeakPolarHBondContact O-CG2 3.41Å; I76-V80 PolarHBondContact O-N 3.41Å; A77-V80 PolarHBondContact O-N 3.16Å; V80-T82 PolarHBondContact O-N 3.3Å; V80-M83 PolarHBondContact O-N 2.78Å; V80-D84 WeakPolarHBondContact O-CB 3.19Å; V80-D84 PolarHBondContact O-N 3.46Å; V80-V131 HydrophobicContact CG2-CG1 4Å; V80-D132 HydrophobicContact CG1-CB 4.46Å; V80-D132 HydrophobicContact CG2-CB 3.92Å; V80-K402 HydrophobicContact CG1-CD 3.62Å; V80-K402 VanDerWaalsContact CG1-CE 3.44Å
81	S	98.6	Very high	98.7	Very high	81 Å²	81	60.9 Å²	60.9	57%	0.566	32%	0.317	S	S	*	.	H	α-helix	trans	-63	-44.1	-178.5	-57.1	0	0	0	0	111.8	L79 D84 E85	L79-S81 PolarHBondContact O-N 3.26Å; S81-D84 PolarHBondContact O-N 2.89Å; S81-E85 WeakPolarHBondContact O-CB 3.43Å; S81-E85 PolarHBondContact O-N 3.44Å
82	T	98.8	Very high	98.7	Very high	64 Å²	64	63.2 Å²	63.2	39%	0.393	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-42.4	178.8	-54.4	0	0	0	0	111.8	L79 V80 N86	L79-T82 PolarHBondContact O-N 2.86Å; V80-T82 PolarHBondContact O-N 3.3Å; T82-N86 WeakPolarHBondContact CG2-ND2 3.29Å; T82-N86 WeakPolarHBondContact O-CB 3.28Å; T82-N86 PolarHBondContact O-N 3.5Å; T82-N86 VanDerWaalsContact O-N 3.09Å; T82-N86 PolarHBondContact O-ND2 2.82Å
83	M	98.9	Very high	98.7	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-66.9	-39.5	178.8	-71.5	-167	-61	0	0	112.2	I76 L79 V80 S87 K88 M89 E90 V93 D132 V135 A257	I76-M83 HydrophobicContact CG2-CE 4.35Å; L79-M83 HydrophobicContact CB-CE 4.03Å; L79-M83 HydrophobicContact CB-CG 4.28Å; L79-M83 HydrophobicContact CB-SD 4.35Å; L79-M83 WeakPolarHBondContact O-CB 3.39Å; L79-M83 WeakPolarHBondContact O-CG 3.49Å; L79-M83 PolarHBondContact O-N 2.99Å; V80-M83 PolarHBondContact O-N 2.78Å; M83-S87 WeakPolarHBondContact O-CA 3.3Å; M83-S87 PolarHBondContact O-N 2.89Å; M83-S87 VanDerWaalsContact O-N 3.09Å; M83-K88 VanDerWaalsContact CA-O 3.31Å; M83-K88 WeakPolarHBondContact CA-O 3.4Å; M83-K88 VanDerWaalsContact CB-O 3.32Å; M83-K88 WeakPolarHBondContact CB-O 3.39Å; M83-K88 VanDerWaalsContact CG-O 3.32Å; M83-K88 WeakPolarHBondContact CG-O 3.27Å; M83-K88 PolarHBondContact O-N 3.14Å; M83-M89 HydrophobicContact CE-SD 4.39Å; M83-M89 HydrophobicContact SD-SD 3.61Å; M83-M89 VanDerWaalsContact SD-SD 3.61Å; M83-E90 HydrophobicContact CG-CB 4.28Å; M83-E90 HydrophobicContact CG-CG 3.8Å; M83-E90 HydrophobicContact SD-CB 3.91Å; M83-E90 HydrophobicContact SD-CG 4.11Å; M83-E90 PolarHBondContact SD-N 2.94Å; M83-E90 VanDerWaalsContact SD-N 3.36Å; M83-V93 HydrophobicContact CE-CG2 4.25Å; M83-V93 HydrophobicContact SD-CG2 4Å; M83-D132 WeakPolarHBondContact CE-OD2 3.38Å; M83-V135 HydrophobicContact CE-CG2 4.18Å; M83-A257 HydrophobicContact CB-CB 3.8Å
84	D	98.9	Very high	98.7	Very high	9 Å²	9	59 Å²	59	5%	0.048	32%	0.317	C	S	.	.	H	α-helix	trans	-66.7	-50.8	175.5	178.2	77.5	0	0	0	111.9	V80 S81 N86 S87 R256 K402 R405	V80-D84 WeakPolarHBondContact O-CB 3.19Å; V80-D84 PolarHBondContact O-N 3.46Å; S81-D84 PolarHBondContact O-N 2.89Å; D84-N86 PolarHBondContact O-N 2.72Å; D84-S87 PolarHBondContact O-N 3.1Å; D84-S87 VanDerWaalsContact O-N 3.16Å; D84-R256 WeakPolarHBondContact O-CB 3.28Å; D84-R256 PolarHBondContact O-NE 2.94Å; D84-R256 WeakPolarHBondContact OD1-CD 3.29Å; D84-K402 HydrophobicContact CB-CD 3.82Å; D84-R405 VanDerWaalsContact CG-NH2 3.34Å; D84-R405 IonicContact OD1-CZ 2.65Å; D84-R405 IonicContact OD1-NH1 2.83Å; D84-R405 PolarHBondContact OD1-NH1 3.41Å; D84-R405 IonicContact OD1-NH2 3.71Å; D84-R405 PolarHBondContact OD1-NH2 2.94Å; D84-R405 IonicContact OD2-CZ 2.9Å; D84-R405 IonicContact OD2-NH1 2.67Å; D84-R405 PolarHBondContact OD2-NH1 3.41Å; D84-R405 IonicContact OD2-NH2 3.47Å; D84-R405 PolarHBondContact OD2-NH2 3.4Å
85	E	98.8	Very high	98.7	Very high	140 Å²	140	59.3 Å²	59.3	65%	0.654	32%	0.318	S	S	*	.	H	α-helix	trans	-56.3	-53.7	-178.9	-178	177.4	178.5	0	0	110.6	S81 S87 R256	S81-E85 WeakPolarHBondContact O-CB 3.43Å; S81-E85 PolarHBondContact O-N 3.44Å; E85-S87 PolarHBondContact O-N 2.86Å; E85-R256 PolarHBondContact O-NH2 3.38Å
86	N	98.7	Very high	98.7	Very high	100 Å²	100	54.5 Å²	54.5	54%	0.535	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-5.3	-176.8	-65.8	-56.1	0	0	0	113.8	T82 D84 K88	T82-N86 WeakPolarHBondContact CG2-ND2 3.29Å; T82-N86 WeakPolarHBondContact O-CB 3.28Å; T82-N86 PolarHBondContact O-N 3.5Å; T82-N86 VanDerWaalsContact O-N 3.09Å; T82-N86 PolarHBondContact O-ND2 2.82Å; D84-N86 PolarHBondContact O-N 2.72Å; N86-K88 VanDerWaalsContact C-N 3.32Å; N86-K88 HydrophobicContact CB-CB 4.32Å; N86-K88 PolarHBondContact O-N 3.08Å
87	S	98.7	Very high	98.7	Very high	22 Å²	22	54.6 Å²	54.6	15%	0.154	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	57.3	-170.1	-59.9	0	0	0	0	110.9	M83 D84 E85 K249 R256	M83-S87 WeakPolarHBondContact O-CA 3.3Å; M83-S87 PolarHBondContact O-N 2.89Å; M83-S87 VanDerWaalsContact O-N 3.09Å; D84-S87 PolarHBondContact O-N 3.1Å; D84-S87 VanDerWaalsContact O-N 3.16Å; E85-S87 PolarHBondContact O-N 2.86Å; S87-K249 VanDerWaalsContact O-CE 3.26Å; S87-K249 WeakPolarHBondContact O-CE 3.23Å; S87-K249 PolarHBondContact O-NZ 2.92Å; S87-R256 CarbonylContact C-O 3.59Å; S87-R256 VanDerWaalsContact CA-O 3.29Å; S87-R256 WeakPolarHBondContact CA-O 3.43Å; S87-R256 WeakPolarHBondContact CB-O 3.48Å; S87-R256 PolarHBondContact OG-NE 3.13Å; S87-R256 PolarHBondContact OG-NH1 2.87Å; S87-R256 PolarHBondContact OG-NH2 3.43Å
88	K	98.6	Very high	98.7	Very high	108 Å²	108	53.5 Å²	53.5	47%	0.47	29%	0.285	S	S	.	.			trans	-151.6	124.4	-176.4	-172.3	-179.1	177.1	-171.6	0	110.5	M83 N86	M83-K88 VanDerWaalsContact CA-O 3.31Å; M83-K88 WeakPolarHBondContact CA-O 3.4Å; M83-K88 VanDerWaalsContact CB-O 3.32Å; M83-K88 WeakPolarHBondContact CB-O 3.39Å; M83-K88 VanDerWaalsContact CG-O 3.32Å; M83-K88 WeakPolarHBondContact CG-O 3.27Å; M83-K88 PolarHBondContact O-N 3.14Å; N86-K88 VanDerWaalsContact C-N 3.32Å; N86-K88 HydrophobicContact CB-CB 4.32Å; N86-K88 PolarHBondContact O-N 3.08Å
89	M	98.7	Very high	98.7	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.02	29%	0.291	C	S	.	.			trans	-70.8	130.7	171.9	-171.3	61.4	69.8	0	0	109.6	M83 V93 I94 V135 V138 A257	M83-M89 HydrophobicContact CE-SD 4.39Å; M83-M89 HydrophobicContact SD-SD 3.61Å; M83-M89 VanDerWaalsContact SD-SD 3.61Å; M89-V93 HydrophobicContact SD-CB 4.11Å; M89-V93 HydrophobicContact SD-CG1 3.87Å; M89-I94 HydrophobicContact CB-CD1 4.33Å; M89-I94 HydrophobicContact CG-CD1 3.78Å; M89-I94 HydrophobicContact CG-CG1 3.66Å; M89-V135 HydrophobicContact CE-CB 4.39Å; M89-V135 HydrophobicContact CE-CG2 3.75Å; M89-V135 HydrophobicContact SD-CG2 3.84Å; M89-V138 HydrophobicContact CE-CG2 3.99Å; M89-A257 HydrophobicContact CE-CB 4.01Å; M89-A257 PolarHBondContact N-O 2.87Å
90	E	98.5	Very high	98.6	Very high	64 Å²	64	59.2 Å²	59.2	30%	0.299	30%	0.302	S	S	.	.			trans	-70.7	135.6	173	-78.5	-57.2	147.2	0	0	110.6	L79 M83 S92 V93 I94	L79-E90 HydrophobicContact CD1-CB 4.12Å; L79-E90 HydrophobicContact CD1-CG 4.21Å; M83-E90 HydrophobicContact CG-CB 4.28Å; M83-E90 HydrophobicContact CG-CG 3.8Å; M83-E90 HydrophobicContact SD-CB 3.91Å; M83-E90 HydrophobicContact SD-CG 4.11Å; M83-E90 PolarHBondContact SD-N 2.94Å; M83-E90 VanDerWaalsContact SD-N 3.36Å; E90-S92 PolarHBondContact O-N 3.1Å; E90-V93 HydrophobicContact CB-CG2 4.1Å; E90-V93 WeakPolarHBondContact O-CB 3.39Å; E90-V93 PolarHBondContact O-N 3.41Å; E90-I94 PolarHBondContact O-N 2.93Å
91	K	98.1	Very high	98.6	Very high	150 Å²	150	59.5 Å²	59.5	65%	0.652	31%	0.309	S	S	*	.	H	α-helix	trans	-61	-35.7	-178.3	-70	-175.6	178	-175.9	0	111.8	V93 I94 Q95	K91-V93 PolarHBondContact O-N 2.88Å; K91-I94 PolarHBondContact O-N 3Å; K91-Q95 WeakPolarHBondContact O-CB 3.24Å; K91-Q95 VanDerWaalsContact O-CG 3.31Å; K91-Q95 WeakPolarHBondContact O-CG 3.25Å; K91-Q95 PolarHBondContact O-N 3.24Å
92	S	98.5	Very high	98.6	Very high	63 Å²	63	56 Å²	56	44%	0.441	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-32.1	177	53.6	0	0	0	0	112.5	E90 G96	E90-S92 PolarHBondContact O-N 3.1Å; S92-G96 PolarHBondContact O-N 3.46Å
93	V	98.8	Very high	98.6	Very high	3 Å²	3	53 Å²	53	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-68.9	-48.2	177.1	174.3	0	0	0	0	110.3	I76 L79 M83 M89 E90 K91 Q95 G96 L97 V135	I76-V93 HydrophobicContact CD1-CG1 4.42Å; I76-V93 HydrophobicContact CG1-CG1 4.11Å; I76-V93 HydrophobicContact CG1-CG2 4.47Å; L79-V93 HydrophobicContact CD1-CG2 3.76Å; M83-V93 HydrophobicContact CE-CG2 4.25Å; M83-V93 HydrophobicContact SD-CG2 4Å; M89-V93 HydrophobicContact SD-CB 4.11Å; M89-V93 HydrophobicContact SD-CG1 3.87Å; E90-V93 HydrophobicContact CB-CG2 4.1Å; E90-V93 WeakPolarHBondContact O-CB 3.39Å; E90-V93 PolarHBondContact O-N 3.41Å; K91-V93 PolarHBondContact O-N 2.88Å; V93-Q95 VanDerWaalsContact C-N 3.35Å; V93-Q95 PolarHBondContact O-N 3.14Å; V93-G96 PolarHBondContact O-N 3.44Å; V93-L97 WeakPolarHBondContact O-CG 3.47Å; V93-L97 PolarHBondContact O-N 3.39Å; V93-V135 HydrophobicContact CG1-CB 4.47Å; V93-V135 HydrophobicContact CG1-CG1 3.73Å; V93-V135 HydrophobicContact CG1-CG2 3.8Å
94	I	98.5	Very high	98.6	Very high	20 Å²	20	53 Å²	53	10%	0.103	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-46.8	176.8	-62.8	172.5	0	0	0	110.4	M89 E90 K91 G96 L97 F98 L171 H213	M89-I94 HydrophobicContact CB-CD1 4.33Å; M89-I94 HydrophobicContact CG-CD1 3.78Å; M89-I94 HydrophobicContact CG-CG1 3.66Å; E90-I94 PolarHBondContact O-N 2.93Å; K91-I94 PolarHBondContact O-N 3Å; I94-G96 VanDerWaalsContact C-N 3.31Å; I94-G96 PolarHBondContact O-N 3.38Å; I94-L97 WeakPolarHBondContact O-CB 3.39Å; I94-L97 PolarHBondContact O-N 2.87Å; I94-F98 HydrophobicContact CG2-CD2 3.96Å; I94-F98 HydrophobicContact CG2-CE2 3.73Å; I94-F98 VanDerWaalsContact O-CD2 3.27Å; I94-F98 WeakPolarHBondContact O-CD2 3.33Å; I94-F98 PolarHBondContact O-N 2.92Å; I94-L171 HydrophobicContact CD1-CD1 4.19Å; I94-L171 HydrophobicContact CG2-CD1 3.94Å; I94-L171 HydrophobicContact CG2-CG 4.45Å; I94-H213 HydrophobicContact CD1-CB 4.45Å
95	Q	98.6	Very high	98.6	Very high	110 Å²	110	52.6 Å²	52.6	51%	0.514	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-41.3	176.5	-72.1	171.7	-18.7	0	0	112	K91 V93 F98 Q99	K91-Q95 WeakPolarHBondContact O-CB 3.24Å; K91-Q95 VanDerWaalsContact O-CG 3.31Å; K91-Q95 WeakPolarHBondContact O-CG 3.25Å; K91-Q95 PolarHBondContact O-N 3.24Å; V93-Q95 VanDerWaalsContact C-N 3.35Å; V93-Q95 PolarHBondContact O-N 3.14Å; Q95-F98 PolarHBondContact O-N 3.27Å; Q95-Q99 WeakPolarHBondContact O-CB 3.39Å; Q95-Q99 VanDerWaalsContact O-CG 3.28Å; Q95-Q99 WeakPolarHBondContact O-CG 3.46Å; Q95-Q99 PolarHBondContact O-N 2.86Å
96	G	98.7	Very high	98.5	Very high	7 Å²	7	47.9 Å²	47.9	7%	0.072	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-43.8	175.5	0	0	0	0	0	112.3	S92 V93 I94 F98 Q99 Q100	S92-G96 PolarHBondContact O-N 3.46Å; V93-G96 PolarHBondContact O-N 3.44Å; I94-G96 VanDerWaalsContact C-N 3.31Å; I94-G96 PolarHBondContact O-N 3.38Å; G96-F98 VanDerWaalsContact C-N 3.33Å; G96-F98 PolarHBondContact O-N 2.79Å; G96-Q99 PolarHBondContact O-N 3.09Å; G96-Q100 WeakPolarHBondContact O-CB 3.4Å; G96-Q100 VanDerWaalsContact O-CG 3.23Å; G96-Q100 WeakPolarHBondContact O-CG 3.38Å; G96-Q100 PolarHBondContact O-N 3.01Å
97	L	98.8	Very high	98.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-57.9	-45.3	176	-67.9	172.3	0	0	0	111.8	F71 V93 I94 G101 L102 M103 L128 V135 V138	F71-L97 HydrophobicContact CE1-CD2 3.91Å; V93-L97 WeakPolarHBondContact O-CG 3.47Å; V93-L97 PolarHBondContact O-N 3.39Å; I94-L97 WeakPolarHBondContact O-CB 3.39Å; I94-L97 PolarHBondContact O-N 2.87Å; L97-G101 PolarHBondContact O-N 3.14Å; L97-L102 HydrophobicContact CD2-CB 4.26Å; L97-L102 HydrophobicContact CD2-CD1 3.95Å; L97-L102 WeakPolarHBondContact O-CB 3.5Å; L97-L102 PolarHBondContact O-N 2.86Å; L97-M103 HydrophobicContact CB-CG 3.76Å; L97-M103 HydrophobicContact CB-SD 3.73Å; L97-M103 HydrophobicContact CD1-SD 3.93Å; L97-M103 HydrophobicContact CG-SD 4.37Å; L97-L128 HydrophobicContact CD2-CD1 3.92Å; L97-L128 HydrophobicContact CD2-CD2 4.13Å; L97-V135 HydrophobicContact CD1-CG1 3.93Å; L97-V135 HydrophobicContact CD2-CG1 4.11Å; L97-V135 HydrophobicContact CG-CG1 4.36Å; L97-V138 HydrophobicContact CD1-CG1 4.41Å
98	F	98.8	Very high	98.4	Very high	22 Å²	22	46.3 Å²	46.3	10%	0.096	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-47.4	175.8	-78.3	-68.4	0	0	0	112.5	I94 Q95 G96 Q100 G101 M103 L166 A167 T168 K170 L171	I94-F98 HydrophobicContact CG2-CD2 3.96Å; I94-F98 HydrophobicContact CG2-CE2 3.73Å; I94-F98 VanDerWaalsContact O-CD2 3.27Å; I94-F98 WeakPolarHBondContact O-CD2 3.33Å; I94-F98 PolarHBondContact O-N 2.92Å; Q95-F98 PolarHBondContact O-N 3.27Å; G96-F98 VanDerWaalsContact C-N 3.33Å; G96-F98 PolarHBondContact O-N 2.79Å; F98-Q100 PolarHBondContact O-N 3.16Å; F98-G101 PolarHBondContact O-N 3.22Å; F98-M103 HydrophobicContact CD1-CB 3.46Å; F98-M103 VanDerWaalsContact CD1-CB 3.46Å; F98-M103 HydrophobicContact CD1-CG 3.65Å; F98-M103 HydrophobicContact CD2-CG 4.23Å; F98-M103 HydrophobicContact CE1-CB 3.43Å; F98-M103 VanDerWaalsContact CE1-CB 3.43Å; F98-M103 HydrophobicContact CE1-CG 3.76Å; F98-M103 HydrophobicContact CE2-CG 4.31Å; F98-M103 HydrophobicContact CG-CB 4.23Å; F98-M103 HydrophobicContact CG-CG 3.9Å; F98-M103 HydrophobicContact CZ-CB 4.16Å; F98-M103 HydrophobicContact CZ-CG 4.08Å; F98-L166 WeakPolarHBondContact CE1-O 3.36Å; F98-A167 WeakPolarHBondContact CD1-O 3.45Å; F98-T168 WeakPolarHBondContact CB-O 3.36Å; F98-T168 WeakPolarHBondContact CD1-O 3.36Å; F98-T168 WeakPolarHBondContact CG-O 3.47Å; F98-K170 WeakPolarHBondContact CZ-O 3.39Å; F98-L171 HydrophobicContact CE2-CD2 3.94Å; F98-L171 HydrophobicContact CE2-CG 4.11Å; F98-L171 HydrophobicContact CZ-CD2 3.75Å; F98-L171 HydrophobicContact CZ-CG 4.09Å
99	Q	98.2	Very high	98.3	Very high	154 Å²	154	44.4 Å²	44.4	72%	0.72	25%	0.246	S	C	*	.	H	α-helix	trans	-61.7	-31.9	-179.6	-75	175.5	6.1	0	0	113.1	Q95 G96 G101	Q95-Q99 WeakPolarHBondContact O-CB 3.39Å; Q95-Q99 VanDerWaalsContact O-CG 3.28Å; Q95-Q99 WeakPolarHBondContact O-CG 3.46Å; Q95-Q99 PolarHBondContact O-N 2.86Å; G96-Q99 PolarHBondContact O-N 3.09Å; Q99-G101 VanDerWaalsContact C-N 3.28Å
100	Q	98.2	Very high	98.2	Very high	105 Å²	105	50.7 Å²	50.7	49%	0.491	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.4	176.1	-64	-60.3	-42.2	0	0	113.1	F71 G96 F98 L102	F71-Q100 HydrophobicContact CD2-CG 3.86Å; F71-Q100 HydrophobicContact CE2-CG 4.15Å; F71-Q100 HydrophobicContact CG-CG 4.12Å; G96-Q100 WeakPolarHBondContact O-CB 3.4Å; G96-Q100 VanDerWaalsContact O-CG 3.23Å; G96-Q100 WeakPolarHBondContact O-CG 3.38Å; G96-Q100 PolarHBondContact O-N 3.01Å; F98-Q100 PolarHBondContact O-N 3.16Å; Q100-L102 HydrophobicContact CB-CD1 3.96Å; Q100-L102 HydrophobicContact CB-CG 3.77Å; Q100-L102 PolarHBondContact O-N 2.93Å
101	G	98.2	Very high	98.2	Very high	22 Å²	22	48.9 Å²	48.9	23%	0.227	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	9.1	-178.4	0	0	0	0	0	114.6	L97 F98 Q99 M103 G104 T114	L97-G101 PolarHBondContact O-N 3.14Å; F98-G101 PolarHBondContact O-N 3.22Å; Q99-G101 VanDerWaalsContact C-N 3.28Å; G101-M103 PolarHBondContact O-N 3.31Å; G101-G104 PolarHBondContact O-N 2.96Å; G101-T114 PolarHBondContact O-OG1 3.28Å
102	L	98.7	Very high	98.1	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.042	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-7.3	-173.1	-54.1	178.8	0	0	0	113.3	V68 F71 L97 Q100 V124 C139 N143	V68-L102 HydrophobicContact CG2-CD1 3.87Å; V68-L102 HydrophobicContact CG2-CD2 3.51Å; V68-L102 HydrophobicContact CG2-CG 4.36Å; F71-L102 HydrophobicContact CD1-CD1 4.04Å; F71-L102 HydrophobicContact CE1-CD1 4.2Å; L97-L102 HydrophobicContact CD2-CB 4.26Å; L97-L102 HydrophobicContact CD2-CD1 3.95Å; L97-L102 WeakPolarHBondContact O-CB 3.5Å; L97-L102 PolarHBondContact O-N 2.86Å; Q100-L102 HydrophobicContact CB-CD1 3.96Å; Q100-L102 HydrophobicContact CB-CG 3.77Å; Q100-L102 PolarHBondContact O-N 2.93Å; L102-V124 HydrophobicContact CB-CG1 4.36Å; L102-V124 HydrophobicContact CD1-CG1 4.44Å; L102-V124 HydrophobicContact CD2-CG1 3.99Å; L102-V124 HydrophobicContact CD2-CG2 4.13Å; L102-V124 HydrophobicContact CG-CG1 4.47Å; L102-C139 PolarHBondContact O-SG 2.99Å; L102-C139 VanDerWaalsContact O-SG 3.33Å; L102-N143 PolarHBondContact O-ND2 3.47Å
103	M	98.8	Very high	98.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-0.9	178.2	-58.5	-51	-80.7	0	0	113.6	L97 F98 G101 V138 C139 Q142 N147 L171	L97-M103 HydrophobicContact CB-CG 3.76Å; L97-M103 HydrophobicContact CB-SD 3.73Å; L97-M103 HydrophobicContact CD1-SD 3.93Å; L97-M103 HydrophobicContact CG-SD 4.37Å; F98-M103 HydrophobicContact CD1-CB 3.46Å; F98-M103 VanDerWaalsContact CD1-CB 3.46Å; F98-M103 HydrophobicContact CD1-CG 3.65Å; F98-M103 HydrophobicContact CD2-CG 4.23Å; F98-M103 HydrophobicContact CE1-CB 3.43Å; F98-M103 VanDerWaalsContact CE1-CB 3.43Å; F98-M103 HydrophobicContact CE1-CG 3.76Å; F98-M103 HydrophobicContact CE2-CG 4.31Å; F98-M103 HydrophobicContact CG-CB 4.23Å; F98-M103 HydrophobicContact CG-CG 3.9Å; F98-M103 HydrophobicContact CZ-CB 4.16Å; F98-M103 HydrophobicContact CZ-CG 4.08Å; G101-M103 PolarHBondContact O-N 3.31Å; M103-V138 HydrophobicContact CE-CG1 3.86Å; M103-C139 HydrophobicContact SD-CB 4.47Å; M103-Q142 HydrophobicContact CB-CG 4.2Å; M103-Q142 HydrophobicContact CE-CB 3.47Å; M103-Q142 VanDerWaalsContact CE-CB 3.47Å; M103-Q142 HydrophobicContact CE-CG 3.63Å; M103-Q142 WeakPolarHBondContact O-CG 3.49Å; M103-Q142 HydrophobicContact SD-CB 4.44Å; M103-N147 PolarHBondContact O-ND2 3.07Å; M103-L171 HydrophobicContact CE-CD2 3.27Å
104	G	98.4	Very high	98	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.01	26%	0.262	C	S	.	.	S	Bend	trans	-141.6	38.6	-178.5	0	0	0	0	0	112.8	G101 I107 G113 T114	G101-G104 PolarHBondContact O-N 2.96Å; G104-I107 PolarHBondContact O-N 3.2Å; G104-G113 CarbonylContact O-C 3.55Å; G104-G113 VanDerWaalsContact O-CA 3.23Å; G104-G113 WeakPolarHBondContact O-CA 3.39Å; G104-T114 PolarHBondContact O-N 2.96Å
105	I	98.5	Very high	97.9	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-55.4	-169.2	-60.5	168.4	0	0	0	110.7	M64 T114 G115 A116 S121 V124 N143	M64-I105 HydrophobicContact CE-CG2 4.5Å; M64-I105 HydrophobicContact SD-CG2 4.2Å; I105-T114 WeakPolarHBondContact O-CB 3.49Å; I105-G115 PolarHBondContact O-N 2.85Å; I105-G115 VanDerWaalsContact O-N 3.13Å; I105-A116 HydrophobicContact CG2-CB 3.8Å; I105-A116 PolarHBondContact O-N 3.41Å; I105-S121 WeakPolarHBondContact CG2-OG 3.41Å; I105-V124 HydrophobicContact CD1-CB 3.82Å; I105-V124 HydrophobicContact CD1-CG1 3.88Å; I105-V124 HydrophobicContact CD1-CG2 3.79Å; I105-N143 WeakPolarHBondContact CB-OD1 3.41Å; I105-N143 PolarHBondContact N-OD1 3.39Å
106	G	97.4	Very high	97.8	Very high	40 Å²	40	41.3 Å²	41.3	41%	0.412	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	1.4	178.9	0	0	0	0	0	114.9
107	I	98.5	Very high	97.7	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.031	27%	0.268	C	S	.	.	S	Bend	trans	-71.5	135.5	176	-66.4	-179.3	0	0	0	108.3	G104 G113 T114 G115 N147 L163 L166 A167	G104-I107 PolarHBondContact O-N 3.2Å; I107-G113 CarbonylContact O-C 3.45Å; I107-G113 VanDerWaalsContact O-CA 3.28Å; I107-G113 WeakPolarHBondContact O-CA 3.41Å; I107-T114 PolarHBondContact O-N 3.45Å; I107-G115 WeakPolarHBondContact O-CA 3.26Å; I107-G115 PolarHBondContact O-N 2.94Å; I107-N147 HydrophobicContact CD1-CB 4.11Å; I107-N147 HydrophobicContact CG1-CB 3.95Å; I107-L163 HydrophobicContact CD1-CB 4.43Å; I107-L163 HydrophobicContact CD1-CD2 3.93Å; I107-L163 HydrophobicContact CG1-CD2 4.14Å; I107-L163 HydrophobicContact CG2-CB 4.14Å; I107-L166 HydrophobicContact CD1-CB 4.33Å; I107-A167 HydrophobicContact CD1-CB 4.05Å
108	D	97.3	Very high	97.7	Very high	83 Å²	83	43.9 Å²	43.9	44%	0.444	27%	0.273	S	S	.	.			trans	-56.2	137.7	175.7	-171.7	-51.5	0	0	0	111.1	K110 Y111 G113	D108-K110 HydrophobicContact CB-CG 4.19Å; D108-K110 PolarHBondContact O-N 3.07Å; D108-K110 VanDerWaalsContact O-N 3.08Å; D108-K110 WeakPolarHBondContact OD1-CB 3.39Å; D108-K110 VanDerWaalsContact OD1-CG 3.23Å; D108-K110 WeakPolarHBondContact OD1-CG 3.31Å; D108-K110 PolarHBondContact OD1-N 3.35Å; D108-Y111 HydrophobicContact CB-CD2 4.1Å; D108-Y111 WeakPolarHBondContact O-CA 3.32Å; D108-Y111 PolarHBondContact O-N 3.33Å; D108-G113 PolarHBondContact O-N 2.9Å
109	A	96.8	Very high	97.7	Very high	69 Å²	69	42.8 Å²	42.8	57%	0.57	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-55	-28.3	179.2	0	0	0	0	0	113.4	Y111 G112 G113	A109-Y111 PolarHBondContact O-N 3.31Å; A109-G112 PolarHBondContact O-N 3.15Å; A109-G113 WeakPolarHBondContact CA-O 3.46Å
110	K	96.9	Very high	97.7	Very high	135 Å²	135	35.5 Å²	35.5	59%	0.587	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-63.1	-21.6	174.7	81	-170	179.4	165.9	0	113.4	D108	D108-K110 HydrophobicContact CB-CG 4.19Å; D108-K110 PolarHBondContact O-N 3.07Å; D108-K110 VanDerWaalsContact O-N 3.08Å; D108-K110 WeakPolarHBondContact OD1-CB 3.39Å; D108-K110 VanDerWaalsContact OD1-CG 3.23Å; D108-K110 WeakPolarHBondContact OD1-CG 3.31Å; D108-K110 PolarHBondContact OD1-N 3.35Å
111	Y	98.1	Very high	97.7	Very high	27 Å²	27	30.7 Å²	30.7	11%	0.106	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-104.9	17.4	172.6	-55.8	-62.2	0	0	0	112.1	D108 A109 G113 E156 K159 A160 L163 P164	D108-Y111 HydrophobicContact CB-CD2 4.1Å; D108-Y111 WeakPolarHBondContact O-CA 3.32Å; D108-Y111 PolarHBondContact O-N 3.33Å; A109-Y111 PolarHBondContact O-N 3.31Å; Y111-G113 VanDerWaalsContact C-N 3.35Å; Y111-G113 PolarHBondContact O-N 3.11Å; Y111-E156 PolarHBondContact OH-OE2 3.3Å; Y111-E156 VanDerWaalsContact OH-OE2 3.09Å; Y111-K159 HydrophobicContact CE1-CB 4.22Å; Y111-K159 HydrophobicContact CE2-CB 4.15Å; Y111-K159 HydrophobicContact CE2-CD 4.45Å; Y111-A160 HydrophobicContact CE1-CB 4.26Å; Y111-L163 HydrophobicContact CD2-CB 4.22Å; Y111-L163 HydrophobicContact CD2-CD1 3.5Å; Y111-L163 HydrophobicContact CE2-CD1 3.74Å; Y111-L163 HydrophobicContact CG-CB 3.94Å; Y111-L163 HydrophobicContact CG-CD1 4.07Å; Y111-P164 HydrophobicContact CD1-CG 4.27Å; Y111-P164 WeakPolarHBondContact O-CA 3.33Å
112	G	96.3	Very high	97.8	Very high	52 Å²	52	29.7 Å²	29.7	54%	0.536	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	12	176.5	0	0	0	0	0	115.5	A109	A109-G112 PolarHBondContact O-N 3.15Å
113	G	97.4	Very high	97.8	Very high	14 Å²	14	29.3 Å²	29.3	14%	0.144	20%	0.2	C	C	.	.	S	Bend	trans	-82.8	178.2	170.8	0	0	0	0	0	113.5	G104 I107 D108 A109 Y111	G104-G113 CarbonylContact O-C 3.55Å; G104-G113 VanDerWaalsContact O-CA 3.23Å; G104-G113 WeakPolarHBondContact O-CA 3.39Å; I107-G113 CarbonylContact O-C 3.45Å; I107-G113 VanDerWaalsContact O-CA 3.28Å; I107-G113 WeakPolarHBondContact O-CA 3.41Å; D108-G113 PolarHBondContact O-N 2.9Å; A109-G113 WeakPolarHBondContact CA-O 3.46Å; Y111-G113 VanDerWaalsContact C-N 3.35Å; Y111-G113 PolarHBondContact O-N 3.11Å
114	T	96.6	Very high	97.8	Very high	63 Å²	63	29.3 Å²	29.3	39%	0.387	20%	0.2	S	C	.	.			trans	-80.1	-26.4	177.8	-46.8	0	0	0	0	112.4	M64 G101 G104 I105 I107 A116	M64-T114 HydrophobicContact CE-CG2 3.99Å; G101-T114 PolarHBondContact O-OG1 3.28Å; G104-T114 PolarHBondContact O-N 2.96Å; I105-T114 WeakPolarHBondContact O-CB 3.49Å; I107-T114 PolarHBondContact O-N 3.45Å; T114-A116 HydrophobicContact CG2-CB 4.02Å; T114-A116 PolarHBondContact O-N 3.2Å
115	G	96.4	Very high	97.8	Very high	48 Å²	48	29.2 Å²	29.2	50%	0.495	20%	0.199	S	C	.	.			trans	69	18.3	-173.9	0	0	0	0	0	113.8	I105 I107	I105-G115 PolarHBondContact O-N 2.85Å; I105-G115 VanDerWaalsContact O-N 3.13Å; I107-G115 WeakPolarHBondContact O-CA 3.26Å; I107-G115 PolarHBondContact O-N 2.94Å
116	A	97.1	Very high	97.8	Very high	9 Å²	9	29.2 Å²	29.2	7%	0.074	20%	0.199	C	C	.	.			trans	-79.6	167.5	-178.2	0	0	0	0	0	111.7	E60 M64 I105 T114	E60-A116 WeakPolarHBondContact OE1-CB 3.47Å; M64-A116 HydrophobicContact CE-CB 3.79Å; I105-A116 HydrophobicContact CG2-CB 3.8Å; I105-A116 PolarHBondContact O-N 3.41Å; T114-A116 HydrophobicContact CG2-CB 4.02Å; T114-A116 PolarHBondContact O-N 3.2Å
117	S	97.4	Very high	97.9	Very high	34 Å²	34	27.7 Å²	27.7	24%	0.238	18%	0.181	C	C	.	.			trans	-70.9	163.5	-173.5	81	0	0	0	0	113.5	F119 S120 S121 E358	S117-F119 PolarHBondContact O-N 3.21Å; S117-F119 PolarHBondContact OG-N 3.07Å; S117-S120 WeakPolarHBondContact O-CB 3.45Å; S117-S120 PolarHBondContact O-N 3.35Å; S117-S120 PolarHBondContact OG-N 2.98Å; S117-S120 PolarHBondContact OG-OG 3.01Å; S117-S121 PolarHBondContact O-N 3.12Å; S117-E358 WeakPolarHBondContact CB-OE1 3.37Å; S117-E358 PolarHBondContact OG-OE1 2.84Å
118	F	98.1	Very high	97.9	Very high	28 Å²	28	27.4 Å²	27.4	12%	0.123	18%	0.18	C	C	.	.	H	α-helix	trans	-64.8	-35.6	173	178.9	-104.9	0	0	0	110.5	S120 S121 V122 T144 E292 I295 A354 V357 E358	F118-S120 VanDerWaalsContact C-N 3.31Å; F118-S120 PolarHBondContact O-N 3.49Å; F118-S121 VanDerWaalsContact O-CB 3.31Å; F118-S121 WeakPolarHBondContact O-CB 3.46Å; F118-S121 PolarHBondContact O-N 3.44Å; F118-S121 VanDerWaalsContact O-N 3.09Å; F118-V122 HydrophobicContact CD1-CG2 4.38Å; F118-V122 HydrophobicContact CE1-CG2 4.01Å; F118-V122 HydrophobicContact CZ-CG2 4.35Å; F118-V122 PolarHBondContact O-N 2.86Å; F118-V122 VanDerWaalsContact O-N 3.13Å; F118-T144 HydrophobicContact CE2-CG2 4.15Å; F118-E292 HydrophobicContact CE2-CB 4.12Å; F118-E292 HydrophobicContact CE2-CG 4.47Å; F118-E292 HydrophobicContact CZ-CB 4.08Å; F118-E292 HydrophobicContact CZ-CG 4.4Å; F118-I295 HydrophobicContact CE1-CB 4.24Å; F118-I295 HydrophobicContact CE1-CD1 3.79Å; F118-I295 HydrophobicContact CE1-CG2 4.11Å; F118-I295 HydrophobicContact CZ-CB 4.17Å; F118-I295 HydrophobicContact CZ-CD1 4.14Å; F118-I295 HydrophobicContact CZ-CG2 4.45Å; F118-A354 HydrophobicContact CD1-CB 4.13Å; F118-A354 HydrophobicContact CE1-CB 4.16Å; F118-V357 HydrophobicContact CD1-CB 3.94Å; F118-V357 HydrophobicContact CD1-CG1 3.92Å; F118-V357 HydrophobicContact CD1-CG2 4.28Å; F118-V357 HydrophobicContact CE1-CB 4.21Å; F118-V357 HydrophobicContact CE1-CG1 4.32Å; F118-V357 HydrophobicContact CE1-CG2 4.02Å; F118-V357 HydrophobicContact CG-CG1 4.16Å; F118-E358 HydrophobicContact CB-CG 4.19Å; F118-E358 PolarHBondContact N-OE1 2.97Å
119	F	98.4	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-38.9	173.6	-166	-83	0	0	0	112	L57 E61 S117 S121 V122 I123 Y351 A354 R355 E358	L57-F119 HydrophobicContact CD2-CE1 3.48Å; L57-F119 VanDerWaalsContact CD2-CE1 3.48Å; L57-F119 HydrophobicContact CD2-CZ 4.02Å; E61-F119 HydrophobicContact CG-CD1 4.09Å; E61-F119 WeakPolarHBondContact OE1-CD1 3.4Å; S117-F119 PolarHBondContact O-N 3.21Å; S117-F119 PolarHBondContact OG-N 3.07Å; F119-S121 VanDerWaalsContact C-N 3.29Å; F119-S121 PolarHBondContact O-N 2.87Å; F119-V122 WeakPolarHBondContact O-CB 3.29Å; F119-V122 PolarHBondContact O-N 2.94Å; F119-V122 VanDerWaalsContact O-N 3.12Å; F119-I123 HydrophobicContact CD1-CD1 4.45Å; F119-I123 HydrophobicContact CD1-CG1 3.8Å; F119-I123 HydrophobicContact CE1-CD1 3.71Å; F119-I123 HydrophobicContact CE1-CG1 3.54Å; F119-I123 HydrophobicContact CZ-CD1 4.3Å; F119-I123 HydrophobicContact CZ-CG1 4.5Å; F119-I123 WeakPolarHBondContact O-CG1 3.21Å; F119-I123 PolarHBondContact O-N 2.87Å; F119-Y351 HydrophobicContact CE2-CD1 4.17Å; F119-Y351 HydrophobicContact CE2-CD2 4.22Å; F119-Y351 AromaticContact CE2-CG 3.78Å; F119-Y351 HydrophobicContact CE2-CG 3.78Å; F119-Y351 HydrophobicContact CZ-CD1 4.03Å; F119-Y351 AromaticContact CZ-CD2 3.68Å; F119-Y351 HydrophobicContact CZ-CD2 3.68Å; F119-Y351 HydrophobicContact CZ-CE1 4.39Å; F119-Y351 HydrophobicContact CZ-CE2 4.05Å; F119-Y351 AromaticContact CZ-CG 3.66Å; F119-Y351 HydrophobicContact CZ-CG 3.66Å; F119-A354 HydrophobicContact CD2-CB 3.72Å; F119-A354 HydrophobicContact CE2-CB 4.36Å; F119-R355 HydrophobicContact CD2-CG 3.91Å; F119-R355 HydrophobicContact CE2-CG 4.01Å; F119-E358 WeakPolarHBondContact CB-OE1 3.44Å; F119-E358 PolarHBondContact N-OE1 3.4Å
120	S	98.5	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.2	-41.3	171.8	-69.7	0	0	0	0	111.8	E61 S117 F118 V122 I123 V124	E61-S120 WeakPolarHBondContact CG-OG 3.37Å; S117-S120 WeakPolarHBondContact O-CB 3.45Å; S117-S120 PolarHBondContact O-N 3.35Å; S117-S120 PolarHBondContact OG-N 2.98Å; S117-S120 PolarHBondContact OG-OG 3.01Å; F118-S120 VanDerWaalsContact C-N 3.31Å; F118-S120 PolarHBondContact O-N 3.49Å; S120-V122 VanDerWaalsContact C-N 3.33Å; S120-V122 PolarHBondContact O-N 3.07Å; S120-I123 PolarHBondContact O-N 2.78Å; S120-V124 WeakPolarHBondContact O-CG2 3.37Å; S120-V124 PolarHBondContact O-N 3.05Å
121	S	98.7	Very high	98.2	Very high	5 Å²	5	16.8 Å²	16.8	4%	0.035	12%	0.119	C	C	.	.	H	α-helix	trans	-60.2	-42.7	174.7	-58.5	0	0	0	0	112	I105 S117 F118 F119 I123 V124 I125	I105-S121 WeakPolarHBondContact CG2-OG 3.41Å; S117-S121 PolarHBondContact O-N 3.12Å; F118-S121 VanDerWaalsContact O-CB 3.31Å; F118-S121 WeakPolarHBondContact O-CB 3.46Å; F118-S121 PolarHBondContact O-N 3.44Å; F118-S121 VanDerWaalsContact O-N 3.09Å; F119-S121 VanDerWaalsContact C-N 3.29Å; F119-S121 PolarHBondContact O-N 2.87Å; S121-I123 PolarHBondContact O-N 3.23Å; S121-V124 PolarHBondContact O-N 2.71Å; S121-I125 VanDerWaalsContact O-CD1 3.32Å; S121-I125 WeakPolarHBondContact O-CD1 3.39Å; S121-I125 WeakPolarHBondContact O-CG1 3.37Å; S121-I125 PolarHBondContact O-N 3.25Å
122	V	98.9	Very high	98.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-44.1	176.4	169.7	0	0	0	0	111.4	F118 F119 S120 I125 E126 I295 A299 T350 Y351 A354	F118-V122 HydrophobicContact CD1-CG2 4.38Å; F118-V122 HydrophobicContact CE1-CG2 4.01Å; F118-V122 HydrophobicContact CZ-CG2 4.35Å; F118-V122 PolarHBondContact O-N 2.86Å; F118-V122 VanDerWaalsContact O-N 3.13Å; F119-V122 WeakPolarHBondContact O-CB 3.29Å; F119-V122 PolarHBondContact O-N 2.94Å; F119-V122 VanDerWaalsContact O-N 3.12Å; S120-V122 VanDerWaalsContact C-N 3.33Å; S120-V122 PolarHBondContact O-N 3.07Å; V122-I125 PolarHBondContact O-N 3.22Å; V122-E126 PolarHBondContact O-N 2.88Å; V122-I295 HydrophobicContact CG2-CG2 3.83Å; V122-A299 HydrophobicContact CG1-CB 3.84Å; V122-A299 WeakPolarHBondContact O-CB 3.39Å; V122-T350 HydrophobicContact CG1-CG2 3.94Å; V122-Y351 HydrophobicContact CG1-CD1 4.3Å; V122-Y351 HydrophobicContact CG1-CE1 4.39Å; V122-A354 HydrophobicContact CB-CB 4.48Å; V122-A354 HydrophobicContact CG2-CB 3.93Å
123	I	98.8	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.3	-44.7	176.7	-68.2	-63.9	0	0	0	111.7	L57 K65 F119 S120 S121 I125 E126 E127 Y351	L57-I123 HydrophobicContact CD1-CD1 4.47Å; L57-I123 HydrophobicContact CD2-CD1 4.35Å; K65-I123 HydrophobicContact CB-CG2 3.6Å; K65-I123 HydrophobicContact CD-CG2 4.44Å; K65-I123 HydrophobicContact CG-CG2 3.8Å; F119-I123 HydrophobicContact CD1-CD1 4.45Å; F119-I123 HydrophobicContact CD1-CG1 3.8Å; F119-I123 HydrophobicContact CE1-CD1 3.71Å; F119-I123 HydrophobicContact CE1-CG1 3.54Å; F119-I123 HydrophobicContact CZ-CD1 4.3Å; F119-I123 HydrophobicContact CZ-CG1 4.5Å; F119-I123 WeakPolarHBondContact O-CG1 3.21Å; F119-I123 PolarHBondContact O-N 2.87Å; S120-I123 PolarHBondContact O-N 2.78Å; S121-I123 PolarHBondContact O-N 3.23Å; I123-I125 VanDerWaalsContact C-N 3.34Å; I123-I125 PolarHBondContact O-N 3.41Å; I123-E126 PolarHBondContact O-N 2.84Å; I123-E127 HydrophobicContact CG2-CG 4.44Å; I123-E127 WeakPolarHBondContact O-CG 3.46Å; I123-E127 PolarHBondContact O-N 3.34Å; I123-Y351 HydrophobicContact CD1-CE1 3.94Å; I123-Y351 HydrophobicContact CD1-CE2 4.34Å; I123-Y351 WeakPolarHBondContact CD1-OH 3.45Å
124	V	98.9	Very high	98.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.4	-46.4	177.1	170.3	0	0	0	0	111.1	M64 V68 L102 I105 S120 S121 E126 E127 L128	M64-V124 HydrophobicContact CG-CG2 3.59Å; M64-V124 HydrophobicContact SD-CG2 3.42Å; M64-V124 WeakPolarHBondContact SD-CG2 3.45Å; V68-V124 HydrophobicContact CG1-CG1 4.37Å; V68-V124 HydrophobicContact CG2-CB 4.38Å; V68-V124 HydrophobicContact CG2-CG1 4.08Å; V68-V124 HydrophobicContact CG2-CG2 3.86Å; L102-V124 HydrophobicContact CB-CG1 4.36Å; L102-V124 HydrophobicContact CD1-CG1 4.44Å; L102-V124 HydrophobicContact CD2-CG1 3.99Å; L102-V124 HydrophobicContact CD2-CG2 4.13Å; L102-V124 HydrophobicContact CG-CG1 4.47Å; I105-V124 HydrophobicContact CD1-CB 3.82Å; I105-V124 HydrophobicContact CD1-CG1 3.88Å; I105-V124 HydrophobicContact CD1-CG2 3.79Å; S120-V124 WeakPolarHBondContact O-CG2 3.37Å; S120-V124 PolarHBondContact O-N 3.05Å; S121-V124 PolarHBondContact O-N 2.71Å; V124-E126 VanDerWaalsContact C-N 3.35Å; V124-E126 PolarHBondContact O-N 2.83Å; V124-E127 PolarHBondContact O-N 2.85Å; V124-L128 HydrophobicContact CG1-CD1 3.82Å; V124-L128 HydrophobicContact CG1-CG 4.32Å; V124-L128 WeakPolarHBondContact O-CB 3.45Å; V124-L128 WeakPolarHBondContact O-CG 3.38Å; V124-L128 PolarHBondContact O-N 2.94Å
125	I	98.9	Very high	98.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.7	-43.3	179.9	-65	159.5	0	0	0	110.6	S121 V122 I123 A129 A136 D140 T144 G296 A299 Q300	S121-I125 VanDerWaalsContact O-CD1 3.32Å; S121-I125 WeakPolarHBondContact O-CD1 3.39Å; S121-I125 WeakPolarHBondContact O-CG1 3.37Å; S121-I125 PolarHBondContact O-N 3.25Å; V122-I125 PolarHBondContact O-N 3.22Å; I123-I125 VanDerWaalsContact C-N 3.34Å; I123-I125 PolarHBondContact O-N 3.41Å; I125-A129 VanDerWaalsContact O-CB 3.26Å; I125-A129 WeakPolarHBondContact O-CB 3.35Å; I125-A129 PolarHBondContact O-N 3.36Å; I125-A136 HydrophobicContact CG2-CB 4.34Å; I125-D140 HydrophobicContact CD1-CB 3.79Å; I125-D140 WeakPolarHBondContact CD1-OD1 3.29Å; I125-D140 HydrophobicContact CG1-CB 4.05Å; I125-D140 HydrophobicContact CG2-CB 4.29Å; I125-T144 HydrophobicContact CD1-CG2 3.91Å; I125-G296 WeakPolarHBondContact CG2-O 3.37Å; I125-A299 HydrophobicContact CB-CB 4.16Å; I125-A299 HydrophobicContact CG2-CB 4Å; I125-Q300 HydrophobicContact CG2-CB 3.95Å
126	E	98.9	Very high	98.7	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-60.4	-49.3	176.1	-170.8	-167.9	140	0	0	111.6	V122 I123 V124 A129 K130 A299 L302 G303 R347 Y351	V122-E126 PolarHBondContact O-N 2.88Å; I123-E126 PolarHBondContact O-N 2.84Å; V124-E126 VanDerWaalsContact C-N 3.35Å; V124-E126 PolarHBondContact O-N 2.83Å; E126-A129 PolarHBondContact O-N 2.79Å; E126-K130 WeakPolarHBondContact O-CG 3.44Å; E126-K130 PolarHBondContact O-N 2.84Å; E126-K130 VanDerWaalsContact O-N 3.1Å; E126-K130 WeakPolarHBondContact OE1-CE 3.33Å; E126-K130 IonicContact OE1-NZ 3.02Å; E126-K130 PolarHBondContact OE1-NZ 2.72Å; E126-A299 HydrophobicContact CB-CB 4.44Å; E126-L302 HydrophobicContact CG-CD2 4.22Å; E126-L302 HydrophobicContact CG-CG 4.2Å; E126-L302 VanDerWaalsContact OE2-CD2 3.27Å; E126-L302 WeakPolarHBondContact OE2-CD2 3.19Å; E126-G303 WeakPolarHBondContact O-CA 3.27Å; E126-R347 IonicContact OE1-NH2 2.79Å; E126-Y351 WeakPolarHBondContact OE2-CE1 3.47Å; E126-Y351 PolarHBondContact OE2-OH 3.18Å
127	E	98.9	Very high	98.7	Very high	8 Å²	8	6.8 Å²	6.8	4%	0.037	4%	0.037	C	C	.	.	H	α-helix	trans	-66.2	-38.4	-177.9	-69.6	-57.4	143.6	0	0	112.7	K65 V68 I123 V124 A129 K130	K65-E127 WeakPolarHBondContact CE-OE1 3.41Å; K65-E127 HydrophobicContact CG-CG 3.64Å; K65-E127 WeakPolarHBondContact CG-OE1 3.33Å; V68-E127 HydrophobicContact CB-CB 4.2Å; V68-E127 HydrophobicContact CG1-CB 3.68Å; I123-E127 HydrophobicContact CG2-CG 4.44Å; I123-E127 WeakPolarHBondContact O-CG 3.46Å; I123-E127 PolarHBondContact O-N 3.34Å; V124-E127 PolarHBondContact O-N 2.85Å; E127-A129 VanDerWaalsContact C-N 3.35Å; E127-K130 IonicContact OE1-NZ 2.91Å; E127-K130 PolarHBondContact OE1-NZ 3.35Å; E127-K130 IonicContact OE2-NZ 2.76Å
128	L	98.9	Very high	98.8	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-63.3	-42.6	172.4	-71.7	172.5	0	0	0	111.2	V68 F71 A72 I76 L97 V124 K130 V131 D132 V135 A136 C139	V68-L128 HydrophobicContact CG1-CD2 3.86Å; V68-L128 HydrophobicContact CG1-CG 3.77Å; F71-L128 HydrophobicContact CD1-CD2 4.32Å; F71-L128 HydrophobicContact CE1-CD2 4.32Å; A72-L128 HydrophobicContact CB-CD2 4.42Å; I76-L128 HydrophobicContact CD1-CD2 3.57Å; L97-L128 HydrophobicContact CD2-CD1 3.92Å; L97-L128 HydrophobicContact CD2-CD2 4.13Å; V124-L128 HydrophobicContact CG1-CD1 3.82Å; V124-L128 HydrophobicContact CG1-CG 4.32Å; V124-L128 WeakPolarHBondContact O-CB 3.45Å; V124-L128 WeakPolarHBondContact O-CG 3.38Å; V124-L128 PolarHBondContact O-N 2.94Å; L128-K130 VanDerWaalsContact C-N 3.28Å; L128-K130 PolarHBondContact O-N 2.92Å; L128-V131 PolarHBondContact O-N 2.95Å; L128-D132 PolarHBondContact O-N 2.86Å; L128-V135 HydrophobicContact CD2-CG1 4.37Å; L128-A136 HydrophobicContact CB-CB 3.91Å; L128-C139 HydrophobicContact CD1-CB 3.62Å
129	A	98.9	Very high	98.9	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-69.8	-24.6	-175.9	0	0	0	0	0	113.2	I125 E126 E127 V131 A136 Q300 L304	I125-A129 VanDerWaalsContact O-CB 3.26Å; I125-A129 WeakPolarHBondContact O-CB 3.35Å; I125-A129 PolarHBondContact O-N 3.36Å; E126-A129 PolarHBondContact O-N 2.79Å; E127-A129 VanDerWaalsContact C-N 3.35Å; A129-V131 PolarHBondContact O-N 2.72Å; A129-A136 HydrophobicContact CB-CB 3.62Å; A129-Q300 HydrophobicContact CB-CB 4.44Å; A129-Q300 HydrophobicContact CB-CG 4.05Å; A129-Q300 VanDerWaalsContact CB-O 3.25Å; A129-Q300 WeakPolarHBondContact CB-O 3.21Å; A129-L304 HydrophobicContact CB-CB 4.44Å; A129-L304 WeakPolarHBondContact O-CA 3.31Å; A129-L304 PolarHBondContact O-N 3.43Å
130	K	98.9	Very high	98.9	Very high	37 Å²	37	4.1 Å²	4.1	16%	0.161	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.9	169.4	-72.7	170.8	-169.8	169.3	0	112.8	E126 E127 L128 G303 Q306 G307 F403	E126-K130 WeakPolarHBondContact O-CG 3.44Å; E126-K130 PolarHBondContact O-N 2.84Å; E126-K130 VanDerWaalsContact O-N 3.1Å; E126-K130 WeakPolarHBondContact OE1-CE 3.33Å; E126-K130 IonicContact OE1-NZ 3.02Å; E126-K130 PolarHBondContact OE1-NZ 2.72Å; E127-K130 IonicContact OE1-NZ 2.91Å; E127-K130 PolarHBondContact OE1-NZ 3.35Å; E127-K130 IonicContact OE2-NZ 2.76Å; L128-K130 VanDerWaalsContact C-N 3.28Å; L128-K130 PolarHBondContact O-N 2.92Å; K130-G303 VanDerWaalsContact CA-O 3.27Å; K130-G303 WeakPolarHBondContact CA-O 3.25Å; K130-G303 WeakPolarHBondContact CG-O 3.26Å; K130-Q306 HydrophobicContact CG-CB 4.33Å; K130-G307 WeakPolarHBondContact O-CA 3.34Å; K130-F403 WeakPolarHBondContact O-CZ 3.48Å
131	V	98.9	Very high	98.9	Very high	27 Å²	27	4.6 Å²	4.6	16%	0.164	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-52.5	178.9	-179.6	0	0	0	0	111.5	A72 I76 A77 V80 L128 A129	A72-V131 HydrophobicContact CB-CB 4.08Å; A72-V131 HydrophobicContact CB-CG2 3.65Å; I76-V131 HydrophobicContact CB-CG1 4.23Å; I76-V131 HydrophobicContact CG2-CG1 3.95Å; A77-V131 HydrophobicContact CB-CG1 3.69Å; V80-V131 HydrophobicContact CG2-CG1 4Å; L128-V131 PolarHBondContact O-N 2.95Å; A129-V131 PolarHBondContact O-N 2.72Å
132	D	98.9	Very high	98.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.			trans	-147.9	109.8	177.9	-162.2	-22.2	0	0	0	113	I76 V80 M83 L128 S134 V135 A136 K402	I76-D132 HydrophobicContact CG2-CB 3.96Å; V80-D132 HydrophobicContact CG1-CB 4.46Å; V80-D132 HydrophobicContact CG2-CB 3.92Å; M83-D132 WeakPolarHBondContact CE-OD2 3.38Å; L128-D132 PolarHBondContact O-N 2.86Å; D132-S134 PolarHBondContact O-N 3.47Å; D132-S134 WeakPolarHBondContact OD1-CB 3.29Å; D132-S134 PolarHBondContact OD1-N 2.89Å; D132-S134 PolarHBondContact OD1-OG 3.05Å; D132-V135 HydrophobicContact CB-CB 4.25Å; D132-V135 HydrophobicContact CB-CG2 3.83Å; D132-V135 PolarHBondContact O-N 3.26Å; D132-V135 VanDerWaalsContact O-N 3.11Å; D132-A136 PolarHBondContact O-N 3Å; D132-A136 VanDerWaalsContact O-N 3.1Å; D132-K402 IonicContact OD1-NZ 2.72Å; D132-K402 PolarHBondContact OD1-NZ 3.05Å; D132-K402 IonicContact OD2-NZ 3.71Å
133	A	98.9	Very high	98.9	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-58.1	-30.2	175.4	0	0	0	0	0	113.1	V135 L137 I255 Q300 L304 D406	A133-V135 VanDerWaalsContact C-N 3.34Å; A133-L137 PolarHBondContact O-N 3.41Å; A133-I255 HydrophobicContact CB-CG2 4.33Å; A133-Q300 HydrophobicContact CB-CG 4.44Å; A133-Q300 PolarHBondContact O-NE2 2.95Å; A133-L304 HydrophobicContact CB-CB 4.21Å; A133-L304 HydrophobicContact CB-CD2 4Å; A133-D406 HydrophobicContact CB-CB 4.01Å
134	S	98.9	Very high	98.9	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-66.2	-38.5	177.4	-60.1	0	0	0	0	112.1	D132 V138 I255	D132-S134 PolarHBondContact O-N 3.47Å; D132-S134 WeakPolarHBondContact OD1-CB 3.29Å; D132-S134 PolarHBondContact OD1-N 2.89Å; D132-S134 PolarHBondContact OD1-OG 3.05Å; S134-V138 PolarHBondContact O-N 3.42Å; S134-I255 VanDerWaalsContact OG-C 3.25Å; S134-I255 VanDerWaalsContact OG-CA 3.27Å; S134-I255 WeakPolarHBondContact OG-CA 3.49Å
135	V	98.9	Very high	98.9	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.006	2%	0.024	C	C	.	.	H	α-helix	trans	-72.2	-43.2	179	-177.5	0	0	0	0	110.1	I76 M83 M89 V93 L97 L128 D132 A133 L137 V138 C139	I76-V135 HydrophobicContact CD1-CG1 3.79Å; I76-V135 HydrophobicContact CG2-CG2 3.95Å; M83-V135 HydrophobicContact CE-CG2 4.18Å; M89-V135 HydrophobicContact CE-CB 4.39Å; M89-V135 HydrophobicContact CE-CG2 3.75Å; M89-V135 HydrophobicContact SD-CG2 3.84Å; V93-V135 HydrophobicContact CG1-CB 4.47Å; V93-V135 HydrophobicContact CG1-CG1 3.73Å; V93-V135 HydrophobicContact CG1-CG2 3.8Å; L97-V135 HydrophobicContact CD1-CG1 3.93Å; L97-V135 HydrophobicContact CD2-CG1 4.11Å; L97-V135 HydrophobicContact CG-CG1 4.36Å; L128-V135 HydrophobicContact CD2-CG1 4.37Å; D132-V135 HydrophobicContact CB-CB 4.25Å; D132-V135 HydrophobicContact CB-CG2 3.83Å; D132-V135 PolarHBondContact O-N 3.26Å; D132-V135 VanDerWaalsContact O-N 3.11Å; A133-V135 VanDerWaalsContact C-N 3.34Å; V135-L137 VanDerWaalsContact C-N 3.26Å; V135-L137 PolarHBondContact O-N 3.43Å; V135-V138 WeakPolarHBondContact O-CB 3.49Å; V135-V138 PolarHBondContact O-N 3.02Å; V135-V138 VanDerWaalsContact O-N 3.1Å; V135-C139 PolarHBondContact O-N 3.45Å; V135-C139 VanDerWaalsContact O-N 3.16Å
136	A	98.9	Very high	98.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-56.5	-39.1	174.7	0	0	0	0	0	112.4	I125 L128 A129 D132 V138 C139 D140 Q300	I125-A136 HydrophobicContact CG2-CB 4.34Å; L128-A136 HydrophobicContact CB-CB 3.91Å; A129-A136 HydrophobicContact CB-CB 3.62Å; D132-A136 PolarHBondContact O-N 3Å; D132-A136 VanDerWaalsContact O-N 3.1Å; A136-V138 PolarHBondContact O-N 3.46Å; A136-C139 PolarHBondContact O-N 2.91Å; A136-D140 VanDerWaalsContact O-CB 3.31Å; A136-D140 WeakPolarHBondContact O-CB 3.08Å; A136-D140 PolarHBondContact O-N 3.2Å; A136-Q300 HydrophobicContact CB-CG 4.03Å
137	L	98.9	Very high	98.8	Very high	2 Å²	2	4.9 Å²	4.9	1%	0.01	3%	0.025	C	C	.	.	H	α-helix	trans	-63.9	-38.6	176.2	-175.2	59.2	0	0	0	113.1	A133 V135 C139 D140 I141 I255 I297 Y413	A133-L137 PolarHBondContact O-N 3.41Å; V135-L137 VanDerWaalsContact C-N 3.26Å; V135-L137 PolarHBondContact O-N 3.43Å; L137-C139 VanDerWaalsContact C-N 3.34Å; L137-D140 PolarHBondContact O-N 2.78Å; L137-I141 HydrophobicContact CD1-CD1 3.84Å; L137-I141 HydrophobicContact CD1-CG1 4.03Å; L137-I141 HydrophobicContact CG-CD1 3.84Å; L137-I141 HydrophobicContact CG-CG1 4.43Å; L137-I141 WeakPolarHBondContact O-CG1 3.38Å; L137-I141 PolarHBondContact O-N 3.21Å; L137-I255 HydrophobicContact CD2-CD1 3.89Å; L137-I297 HydrophobicContact CD1-CD1 3.98Å; L137-Y413 HydrophobicContact CD1-CE2 3.83Å; L137-Y413 HydrophobicContact CD2-CE2 4.14Å
138	V	98.8	Very high	98.8	Very high	5 Å²	5	6 Å²	6	3%	0.03	3%	0.032	C	C	.	.	H	α-helix	trans	-62.3	-47.2	176.9	177.4	0	0	0	0	109.8	M89 L97 M103 S134 V135 A136 Q142 L171 N210	M89-V138 HydrophobicContact CE-CG2 3.99Å; L97-V138 HydrophobicContact CD1-CG1 4.41Å; M103-V138 HydrophobicContact CE-CG1 3.86Å; S134-V138 PolarHBondContact O-N 3.42Å; V135-V138 WeakPolarHBondContact O-CB 3.49Å; V135-V138 PolarHBondContact O-N 3.02Å; V135-V138 VanDerWaalsContact O-N 3.1Å; A136-V138 PolarHBondContact O-N 3.46Å; V138-Q142 PolarHBondContact O-N 3.34Å; V138-L171 HydrophobicContact CG1-CD1 4.5Å; V138-L171 HydrophobicContact CG1-CD2 4.08Å; V138-N210 WeakPolarHBondContact CG2-OD1 3.34Å
139	C	98.9	Very high	98.7	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-62.7	-44.3	177.5	-176.8	0	0	0	0	112	L102 M103 L128 V135 A136 L137 N143	L102-C139 PolarHBondContact O-SG 2.99Å; L102-C139 VanDerWaalsContact O-SG 3.33Å; M103-C139 HydrophobicContact SD-CB 4.47Å; L128-C139 HydrophobicContact CD1-CB 3.62Å; V135-C139 PolarHBondContact O-N 3.45Å; V135-C139 VanDerWaalsContact O-N 3.16Å; A136-C139 PolarHBondContact O-N 2.91Å; L137-C139 VanDerWaalsContact C-N 3.34Å; C139-N143 PolarHBondContact O-N 3.05Å; C139-N143 VanDerWaalsContact O-N 3.08Å; C139-N143 PolarHBondContact O-ND2 3.18Å
140	D	98.9	Very high	98.7	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-60.2	-57.9	179.5	174.7	38.6	0	0	0	111.7	I125 A136 L137 Q142 N143 T144 G296 I297	I125-D140 HydrophobicContact CD1-CB 3.79Å; I125-D140 WeakPolarHBondContact CD1-OD1 3.29Å; I125-D140 HydrophobicContact CG1-CB 4.05Å; I125-D140 HydrophobicContact CG2-CB 4.29Å; A136-D140 VanDerWaalsContact O-CB 3.31Å; A136-D140 WeakPolarHBondContact O-CB 3.08Å; A136-D140 PolarHBondContact O-N 3.2Å; L137-D140 PolarHBondContact O-N 2.78Å; D140-Q142 PolarHBondContact O-N 3.37Å; D140-N143 PolarHBondContact O-N 2.87Å; D140-T144 PolarHBondContact O-N 2.84Å; D140-T144 PolarHBondContact O-OG1 3.12Å; D140-T144 WeakPolarHBondContact OD1-CB 3.48Å; D140-T144 WeakPolarHBondContact OD1-CG2 3.48Å; D140-T144 PolarHBondContact OD1-OG1 2.88Å; D140-G296 WeakPolarHBondContact OD1-CA 3.29Å; D140-I297 WeakPolarHBondContact OD2-CD1 3.49Å
141	I	98.8	Very high	98.6	Very high	10 Å²	10	6.3 Å²	6.3	5%	0.051	4%	0.043	C	C	.	.	I	π-helix	trans	-53.4	-45.2	-179.2	-69.8	168.2	0	0	0	110.8	L137 I145 I146	L137-I141 HydrophobicContact CD1-CD1 3.84Å; L137-I141 HydrophobicContact CD1-CG1 4.03Å; L137-I141 HydrophobicContact CG-CD1 3.84Å; L137-I141 HydrophobicContact CG-CG1 4.43Å; L137-I141 WeakPolarHBondContact O-CG1 3.38Å; L137-I141 PolarHBondContact O-N 3.21Å; I141-I145 HydrophobicContact CG1-CD1 4.42Å; I141-I145 WeakPolarHBondContact O-CB 3.38Å; I141-I145 PolarHBondContact O-N 2.72Å; I141-I146 HydrophobicContact CG2-CG1 4.07Å; I141-I146 WeakPolarHBondContact O-CG1 3.17Å; I141-I146 PolarHBondContact O-N 3.22Å
142	Q	98.9	Very high	98.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-60.2	-49.6	179.7	-170.9	80.8	-5.2	0	0	111.3	M103 V138 D140 I146 N147 L166 K170	M103-Q142 HydrophobicContact CB-CG 4.2Å; M103-Q142 HydrophobicContact CE-CB 3.47Å; M103-Q142 VanDerWaalsContact CE-CB 3.47Å; M103-Q142 HydrophobicContact CE-CG 3.63Å; M103-Q142 WeakPolarHBondContact O-CG 3.49Å; M103-Q142 HydrophobicContact SD-CB 4.44Å; V138-Q142 PolarHBondContact O-N 3.34Å; D140-Q142 PolarHBondContact O-N 3.37Å; Q142-I146 PolarHBondContact O-N 3.47Å; Q142-N147 VanDerWaalsContact O-CB 3.28Å; Q142-N147 WeakPolarHBondContact O-CB 3.49Å; Q142-N147 PolarHBondContact O-N 2.86Å; Q142-N147 PolarHBondContact O-ND2 3.17Å; Q142-N147 PolarHBondContact O-OD1 2.9Å; Q142-L166 PolarHBondContact NE2-O 2.65Å; Q142-K170 PolarHBondContact NE2-O 2.97Å
143	N	98.9	Very high	98.5	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.011	7%	0.07	C	C	.	.	I	π-helix	trans	-81.3	-51.2	-172.3	-72.7	-78.3	0	0	0	113.2	L102 I105 C139 D140 N148	L102-N143 PolarHBondContact O-ND2 3.47Å; I105-N143 WeakPolarHBondContact CB-OD1 3.41Å; I105-N143 PolarHBondContact N-OD1 3.39Å; C139-N143 PolarHBondContact O-N 3.05Å; C139-N143 VanDerWaalsContact O-N 3.08Å; C139-N143 PolarHBondContact O-ND2 3.18Å; D140-N143 PolarHBondContact O-N 2.87Å; N143-N148 PolarHBondContact O-OD1 3Å
144	T	98.4	Very high	98.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-83	-21.3	-169.1	68.6	0	0	0	0	112.8	F118 I125 D140 N148	F118-T144 HydrophobicContact CE2-CG2 4.15Å; I125-T144 HydrophobicContact CD1-CG2 3.91Å; D140-T144 PolarHBondContact O-N 2.84Å; D140-T144 PolarHBondContact O-OG1 3.12Å; D140-T144 WeakPolarHBondContact OD1-CB 3.48Å; D140-T144 WeakPolarHBondContact OD1-CG2 3.48Å; D140-T144 PolarHBondContact OD1-OG1 2.88Å; T144-N148 PolarHBondContact O-ND2 3.09Å
145	I	98.3	Very high	98.4	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.026	9%	0.094	C	C	.	.	I	π-helix	trans	-111.7	-66.1	-179.7	-51.1	178.7	0	0	0	111.1	I141 L149 F174 E414	I141-I145 HydrophobicContact CG1-CD1 4.42Å; I141-I145 WeakPolarHBondContact O-CB 3.38Å; I141-I145 PolarHBondContact O-N 2.72Å; I145-L149 HydrophobicContact CG2-CD1 3.91Å; I145-L149 VanDerWaalsContact O-CB 3.28Å; I145-L149 WeakPolarHBondContact O-CB 3.46Å; I145-L149 WeakPolarHBondContact O-CD1 3.47Å; I145-L149 VanDerWaalsContact O-CG 3.23Å; I145-L149 WeakPolarHBondContact O-CG 3.07Å; I145-L149 PolarHBondContact O-N 3.4Å; I145-F174 HydrophobicContact CG2-CB 3.86Å; I145-F174 HydrophobicContact CG2-CD2 3.33Å; I145-F174 HydrophobicContact CG2-CE2 3.94Å; I145-F174 HydrophobicContact CG2-CG 3.71Å; I145-E414 WeakPolarHBondContact CD1-OE1 3.42Å
146	I	98.8	Very high	98.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-66	-58.3	-168.9	-56.1	-59	0	0	0	110.7	I141 Q142 N148 L149 F150 L166 F174 L218	I141-I146 HydrophobicContact CG2-CG1 4.07Å; I141-I146 WeakPolarHBondContact O-CG1 3.17Å; I141-I146 PolarHBondContact O-N 3.22Å; Q142-I146 PolarHBondContact O-N 3.47Å; I146-N148 VanDerWaalsContact C-N 3.33Å; I146-N148 PolarHBondContact O-N 3.05Å; I146-L149 PolarHBondContact O-N 3.05Å; I146-F150 HydrophobicContact CG2-CD2 3.89Å; I146-F150 HydrophobicContact CG2-CE2 3.91Å; I146-F150 WeakPolarHBondContact O-CD2 3.43Å; I146-F150 PolarHBondContact O-N 3.21Å; I146-L166 HydrophobicContact CG2-CD1 4.04Å; I146-L166 HydrophobicContact CG2-CD2 3.88Å; I146-F174 HydrophobicContact CD1-CB 4.17Å; I146-L218 HydrophobicContact CD1-CD1 3.77Å; I146-L218 HydrophobicContact CD1-CG 4.05Å; I146-L218 HydrophobicContact CG2-CD1 4.48Å
147	N	98.6	Very high	98.3	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.027	14%	0.144	C	C	.	.	I	π-helix	trans	-61.6	-42.7	-177.2	-65.7	-10.9	0	0	0	111.2	M103 I107 Q142 L149 F150 G151	M103-N147 PolarHBondContact O-ND2 3.07Å; I107-N147 HydrophobicContact CD1-CB 4.11Å; I107-N147 HydrophobicContact CG1-CB 3.95Å; Q142-N147 VanDerWaalsContact O-CB 3.28Å; Q142-N147 WeakPolarHBondContact O-CB 3.49Å; Q142-N147 PolarHBondContact O-N 2.86Å; Q142-N147 PolarHBondContact O-ND2 3.17Å; Q142-N147 PolarHBondContact O-OD1 2.9Å; N147-L149 PolarHBondContact O-N 2.88Å; N147-F150 PolarHBondContact O-N 2.8Å; N147-G151 PolarHBondContact O-N 3.14Å
148	N	97.5	Very high	98.3	Very high	33 Å²	33	27.5 Å²	27.5	18%	0.176	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-40.7	177.6	-77.3	0.4	0	0	0	112.6	N143 T144 I146 G151 K152 E292	N143-N148 PolarHBondContact O-OD1 3Å; T144-N148 PolarHBondContact O-ND2 3.09Å; I146-N148 VanDerWaalsContact C-N 3.33Å; I146-N148 PolarHBondContact O-N 3.05Å; N148-G151 PolarHBondContact O-N 3.36Å; N148-K152 VanDerWaalsContact O-CB 3.29Å; N148-K152 WeakPolarHBondContact O-CB 3.5Å; N148-K152 WeakPolarHBondContact O-CD 3.21Å; N148-K152 VanDerWaalsContact O-CG 3.24Å; N148-K152 WeakPolarHBondContact O-CG 3.38Å; N148-K152 PolarHBondContact O-N 2.9Å; N148-E292 PolarHBondContact ND2-OE2 3.45Å
149	L	98.5	Very high	98.3	Very high	6 Å²	6	29 Å²	29	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-63.5	-45.5	175.2	-78.9	169.6	0	0	0	111.4	I145 I146 N147 L153 F174 L218 L276	I145-L149 HydrophobicContact CG2-CD1 3.91Å; I145-L149 VanDerWaalsContact O-CB 3.28Å; I145-L149 WeakPolarHBondContact O-CB 3.46Å; I145-L149 WeakPolarHBondContact O-CD1 3.47Å; I145-L149 VanDerWaalsContact O-CG 3.23Å; I145-L149 WeakPolarHBondContact O-CG 3.07Å; I145-L149 PolarHBondContact O-N 3.4Å; I146-L149 PolarHBondContact O-N 3.05Å; N147-L149 PolarHBondContact O-N 2.88Å; L149-L153 HydrophobicContact CD2-CD1 3.63Å; L149-L153 VanDerWaalsContact O-CB 3.28Å; L149-L153 WeakPolarHBondContact O-CB 3.46Å; L149-L153 PolarHBondContact O-N 3.24Å; L149-F174 HydrophobicContact CD1-CD2 4.03Å; L149-F174 HydrophobicContact CD1-CE2 4.01Å; L149-L218 HydrophobicContact CB-CD1 3.91Å; L149-L218 HydrophobicContact CD1-CD1 3.55Å; L149-L218 HydrophobicContact CG-CD1 4.38Å; L149-L276 HydrophobicContact CB-CD2 4.03Å
150	F	98.3	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-46.4	174.9	-85.8	-72.9	0	0	0	112.4	I146 N147 K152 G154 Y162 L163 L166 I216 L218 L236 L276	I146-F150 HydrophobicContact CG2-CD2 3.89Å; I146-F150 HydrophobicContact CG2-CE2 3.91Å; I146-F150 WeakPolarHBondContact O-CD2 3.43Å; I146-F150 PolarHBondContact O-N 3.21Å; N147-F150 PolarHBondContact O-N 2.8Å; F150-K152 VanDerWaalsContact C-N 3.35Å; F150-K152 PolarHBondContact O-N 3.29Å; F150-G154 WeakPolarHBondContact O-CA 3.45Å; F150-G154 PolarHBondContact O-N 3.46Å; F150-Y162 HydrophobicContact CD1-CD2 4.35Å; F150-Y162 HydrophobicContact CD1-CG 4.38Å; F150-Y162 HydrophobicContact CE1-CD1 4.3Å; F150-Y162 AromaticContact CE1-CD2 3.5Å; F150-Y162 HydrophobicContact CE1-CD2 3.5Å; F150-Y162 HydrophobicContact CE1-CE2 4.28Å; F150-Y162 AromaticContact CE1-CG 3.54Å; F150-Y162 HydrophobicContact CE1-CG 3.54Å; F150-Y162 HydrophobicContact CZ-CD1 4.08Å; F150-Y162 HydrophobicContact CZ-CD2 4.09Å; F150-Y162 AromaticContact CZ-CG 3.74Å; F150-Y162 HydrophobicContact CZ-CG 3.74Å; F150-L163 HydrophobicContact CB-CD2 3.58Å; F150-L163 HydrophobicContact CB-CG 4.3Å; F150-L163 HydrophobicContact CG-CD2 4.44Å; F150-L166 HydrophobicContact CD2-CD1 3.37Å; F150-L166 HydrophobicContact CE2-CD1 3.56Å; F150-L166 HydrophobicContact CG-CD1 4.07Å; F150-L166 HydrophobicContact CZ-CD1 4.37Å; F150-I216 HydrophobicContact CZ-CG1 4.19Å; F150-L218 HydrophobicContact CE2-CD2 3.92Å; F150-L218 HydrophobicContact CZ-CD2 4.04Å; F150-L236 HydrophobicContact CE1-CD1 3.77Å; F150-L236 HydrophobicContact CE1-CD2 3.68Å; F150-L236 HydrophobicContact CE1-CG 4.4Å; F150-L236 HydrophobicContact CE2-CD2 4.45Å; F150-L236 HydrophobicContact CZ-CD1 4.24Å; F150-L236 HydrophobicContact CZ-CD2 3.53Å; F150-L236 HydrophobicContact CZ-CG 4.5Å; F150-L276 HydrophobicContact CD1-CD1 4.4Å
151	G	97.2	Very high	98.2	Very high	36 Å²	36	34.8 Å²	34.8	37%	0.371	19%	0.194	S	C	.	.	H	α-helix	trans	-61.9	-40.2	-179.4	0	0	0	0	0	112.9	N147 N148 K159	N147-G151 PolarHBondContact O-N 3.14Å; N148-G151 PolarHBondContact O-N 3.36Å; G151-K159 WeakPolarHBondContact O-CE 3.16Å
152	K	97	Very high	98.2	Very high	119 Å²	119	35.8 Å²	35.8	52%	0.517	20%	0.197	S	C	.	.	H	α-helix	trans	-83.3	-34.6	-176.9	-69.8	170	179.4	173.6	0	114.1	N148 F150 E292	N148-K152 VanDerWaalsContact O-CB 3.29Å; N148-K152 WeakPolarHBondContact O-CB 3.5Å; N148-K152 WeakPolarHBondContact O-CD 3.21Å; N148-K152 VanDerWaalsContact O-CG 3.24Å; N148-K152 WeakPolarHBondContact O-CG 3.38Å; N148-K152 PolarHBondContact O-N 2.9Å; F150-K152 VanDerWaalsContact C-N 3.35Å; F150-K152 PolarHBondContact O-N 3.29Å; K152-E292 IonicContact NZ-OE1 3.88Å; K152-E292 PolarHBondContact NZ-OE1 2.92Å; K152-E292 IonicContact NZ-OE2 3.79Å; K152-E292 PolarHBondContact NZ-OE2 3.41Å
153	L	98.2	Very high	98.2	Very high	40 Å²	40	36 Å²	36	21%	0.209	20%	0.199	C	C	.	.	H	α-helix	trans	-118.7	-17.6	-166.1	-53.9	175.5	0	0	0	113.9	L149 L276 Y285	L149-L153 HydrophobicContact CD2-CD1 3.63Å; L149-L153 VanDerWaalsContact O-CB 3.28Å; L149-L153 WeakPolarHBondContact O-CB 3.46Å; L149-L153 PolarHBondContact O-N 3.24Å; L153-L276 HydrophobicContact CB-CD1 4.01Å; L153-L276 HydrophobicContact CB-CG 3.95Å; L153-Y285 HydrophobicContact CD1-CD1 3.48Å; L153-Y285 VanDerWaalsContact CD1-CD1 3.48Å; L153-Y285 HydrophobicContact CD1-CD2 3.74Å; L153-Y285 HydrophobicContact CD1-CE1 4.02Å; L153-Y285 HydrophobicContact CD1-CE2 4.27Å; L153-Y285 HydrophobicContact CD1-CG 3.32Å; L153-Y285 HydrophobicContact CD2-CD1 3.71Å; L153-Y285 HydrophobicContact CD2-CE1 3.54Å; L153-Y285 HydrophobicContact CD2-CG 4.4Å; L153-Y285 HydrophobicContact CG-CD1 4.26Å; L153-Y285 HydrophobicContact CG-CE1 4.43Å; L153-Y285 HydrophobicContact CG-CG 4.5Å
154	G	97.9	Very high	98.2	Very high	9 Å²	9	38 Å²	38	9%	0.093	21%	0.212	C	C	.	.			trans	-63.8	144.2	-179.7	0	0	0	0	0	111.8	F150 Q158 K159	F150-G154 WeakPolarHBondContact O-CA 3.45Å; F150-G154 PolarHBondContact O-N 3.46Å; G154-Q158 VanDerWaalsContact CA-OE1 3.32Å; G154-K159 WeakPolarHBondContact O-CE 3.28Å
155	T	98.5	Very high	98.2	Very high	66 Å²	66	41.8 Å²	41.8	41%	0.405	23%	0.228	S	C	.	.			trans	-65.8	165.4	160.4	78.3	0	0	0	0	109.8	E157 Q158 K159	T155-E157 VanDerWaalsContact CB-OE2 3.24Å; T155-E157 WeakPolarHBondContact CB-OE2 3.36Å; T155-E157 PolarHBondContact O-N 3.24Å; T155-E157 PolarHBondContact OG1-N 3.21Å; T155-E157 PolarHBondContact OG1-OE2 2.99Å; T155-Q158 PolarHBondContact O-N 2.94Å; T155-Q158 PolarHBondContact OG1-N 2.93Å; T155-K159 WeakPolarHBondContact O-CG 3.29Å; T155-K159 PolarHBondContact O-N 3.4Å
156	E	98	Very high	98.2	Very high	94 Å²	94	41.6 Å²	41.6	44%	0.439	23%	0.227	S	C	.	.	H	α-helix	trans	-62.4	-33.3	177.6	-67.6	-58.2	115.8	0	0	111.7	Y111 K159 A160	Y111-E156 PolarHBondContact OH-OE2 3.3Å; Y111-E156 VanDerWaalsContact OH-OE2 3.09Å; E156-K159 PolarHBondContact O-N 2.96Å; E156-K159 WeakPolarHBondContact OE1-CD 3.4Å; E156-K159 IonicContact OE1-NZ 2.7Å; E156-K159 PolarHBondContact OE1-NZ 3.17Å; E156-A160 VanDerWaalsContact O-CB 3.24Å; E156-A160 WeakPolarHBondContact O-CB 3.44Å; E156-A160 PolarHBondContact O-N 3.48Å
157	E	98.2	Very high	98.2	Very high	132 Å²	132	41.8 Å²	41.8	62%	0.617	23%	0.229	S	C	*	.	H	α-helix	trans	-65.8	-44.5	173.9	-57.2	74.2	-160.4	0	0	111.6	T155 T161	T155-E157 VanDerWaalsContact CB-OE2 3.24Å; T155-E157 WeakPolarHBondContact CB-OE2 3.36Å; T155-E157 PolarHBondContact O-N 3.24Å; T155-E157 PolarHBondContact OG1-N 3.21Å; T155-E157 PolarHBondContact OG1-OE2 2.99Å; E157-T161 VanDerWaalsContact O-CB 3.28Å; E157-T161 WeakPolarHBondContact O-CB 3.46Å; E157-T161 PolarHBondContact O-N 2.53Å; E157-T161 PolarHBondContact O-OG1 3.45Å
158	Q	98.5	Very high	98.1	Very high	15 Å²	15	45 Å²	45	7%	0.07	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-46.9	175.6	-71.5	173.4	-21.2	0	0	110.4	G154 T155 A160 T161 Y162 L236 T273 V275	G154-Q158 VanDerWaalsContact CA-OE1 3.32Å; T155-Q158 PolarHBondContact O-N 2.94Å; T155-Q158 PolarHBondContact OG1-N 2.93Å; Q158-A160 PolarHBondContact O-N 3.33Å; Q158-T161 PolarHBondContact O-N 2.69Å; Q158-Y162 HydrophobicContact CB-CD2 4.34Å; Q158-Y162 WeakPolarHBondContact O-CD2 3.36Å; Q158-Y162 PolarHBondContact O-N 2.95Å; Q158-L236 HydrophobicContact CG-CD1 4.2Å; Q158-T273 PolarHBondContact NE2-O 3.07Å; Q158-V275 PolarHBondContact NE2-O 3.43Å
159	K	98.6	Very high	98.1	Very high	36 Å²	36	49.6 Å²	49.6	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-49.7	177.6	-71.8	176.7	-167.7	163.5	0	111.8	Y111 G151 G154 T155 E156 T161 Y162 L163 P164	Y111-K159 HydrophobicContact CE1-CB 4.22Å; Y111-K159 HydrophobicContact CE2-CB 4.15Å; Y111-K159 HydrophobicContact CE2-CD 4.45Å; G151-K159 WeakPolarHBondContact O-CE 3.16Å; G154-K159 WeakPolarHBondContact O-CE 3.28Å; T155-K159 WeakPolarHBondContact O-CG 3.29Å; T155-K159 PolarHBondContact O-N 3.4Å; E156-K159 PolarHBondContact O-N 2.96Å; E156-K159 WeakPolarHBondContact OE1-CD 3.4Å; E156-K159 IonicContact OE1-NZ 2.7Å; E156-K159 PolarHBondContact OE1-NZ 3.17Å; K159-T161 PolarHBondContact O-N 3.1Å; K159-Y162 PolarHBondContact O-N 3.06Å; K159-L163 HydrophobicContact CB-CD1 3.8Å; K159-L163 HydrophobicContact CB-CG 4.34Å; K159-L163 HydrophobicContact CD-CD1 4.43Å; K159-L163 HydrophobicContact CG-CD1 3.87Å; K159-L163 VanDerWaalsContact O-CB 3.29Å; K159-L163 WeakPolarHBondContact O-CB 3.4Å; K159-L163 PolarHBondContact O-N 3.35Å; K159-P164 WeakPolarHBondContact O-CD 3.43Å
160	A	98.1	Very high	98.1	Very high	57 Å²	57	51.7 Å²	51.7	47%	0.471	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-29.4	178.6	0	0	0	0	0	112.9	Y111 E156 Q158 P164	Y111-A160 HydrophobicContact CE1-CB 4.26Å; E156-A160 VanDerWaalsContact O-CB 3.24Å; E156-A160 WeakPolarHBondContact O-CB 3.44Å; E156-A160 PolarHBondContact O-N 3.48Å; Q158-A160 PolarHBondContact O-N 3.33Å; A160-P164 WeakPolarHBondContact O-CD 3.33Å; A160-P164 WeakPolarHBondContact O-CG 3.26Å
161	T	97.8	Very high	98.1	Very high	65 Å²	65	51.9 Å²	51.9	40%	0.399	28%	0.279	S	S	.	.	H	α-helix	trans	-80.7	-43.6	179.2	-59.3	0	0	0	0	112.9	E157 Q158 K159 K165	E157-T161 VanDerWaalsContact O-CB 3.28Å; E157-T161 WeakPolarHBondContact O-CB 3.46Å; E157-T161 PolarHBondContact O-N 2.53Å; E157-T161 PolarHBondContact O-OG1 3.45Å; Q158-T161 PolarHBondContact O-N 2.69Å; K159-T161 PolarHBondContact O-N 3.1Å; T161-K165 WeakPolarHBondContact O-CD 3.27Å; T161-K165 WeakPolarHBondContact O-CE 3.33Å
162	Y	98.6	Very high	98.2	Very high	31 Å²	31	50.2 Å²	50.2	12%	0.122	26%	0.261	C	S	.	.	H	α-helix	trans	-101.5	-42.6	-167.8	-67.7	-77.4	0	0	0	113.6	F150 Q158 K159 K165 L166 I216 L236	F150-Y162 HydrophobicContact CD1-CD2 4.35Å; F150-Y162 HydrophobicContact CD1-CG 4.38Å; F150-Y162 HydrophobicContact CE1-CD1 4.3Å; F150-Y162 AromaticContact CE1-CD2 3.5Å; F150-Y162 HydrophobicContact CE1-CD2 3.5Å; F150-Y162 HydrophobicContact CE1-CE2 4.28Å; F150-Y162 AromaticContact CE1-CG 3.54Å; F150-Y162 HydrophobicContact CE1-CG 3.54Å; F150-Y162 HydrophobicContact CZ-CD1 4.08Å; F150-Y162 HydrophobicContact CZ-CD2 4.09Å; F150-Y162 AromaticContact CZ-CG 3.74Å; F150-Y162 HydrophobicContact CZ-CG 3.74Å; Q158-Y162 HydrophobicContact CB-CD2 4.34Å; Q158-Y162 WeakPolarHBondContact O-CD2 3.36Å; Q158-Y162 PolarHBondContact O-N 2.95Å; K159-Y162 PolarHBondContact O-N 3.06Å; Y162-K165 PolarHBondContact O-N 3.11Å; Y162-K165 VanDerWaalsContact O-N 3.11Å; Y162-L166 WeakPolarHBondContact O-CB 3.35Å; Y162-L166 VanDerWaalsContact O-CG 3.32Å; Y162-L166 WeakPolarHBondContact O-CG 3.22Å; Y162-L166 PolarHBondContact O-N 3.01Å; Y162-I216 HydrophobicContact CD1-CD1 4.42Å; Y162-I216 HydrophobicContact CD1-CG1 4.28Å; Y162-I216 HydrophobicContact CE1-CD1 3.78Å; Y162-I216 HydrophobicContact CE1-CG1 4.13Å; Y162-L236 HydrophobicContact CD2-CD1 4.05Å; Y162-L236 HydrophobicContact CE2-CD1 3.49Å; Y162-L236 VanDerWaalsContact CE2-CD1 3.49Å
163	L	98.6	Very high	98.3	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-42	-174.1	-67.9	178.2	0	0	0	113.5	I107 Y111 F150 K159 K165 L166 A167	I107-L163 HydrophobicContact CD1-CB 4.43Å; I107-L163 HydrophobicContact CD1-CD2 3.93Å; I107-L163 HydrophobicContact CG1-CD2 4.14Å; I107-L163 HydrophobicContact CG2-CB 4.14Å; Y111-L163 HydrophobicContact CD2-CB 4.22Å; Y111-L163 HydrophobicContact CD2-CD1 3.5Å; Y111-L163 HydrophobicContact CE2-CD1 3.74Å; Y111-L163 HydrophobicContact CG-CB 3.94Å; Y111-L163 HydrophobicContact CG-CD1 4.07Å; F150-L163 HydrophobicContact CB-CD2 3.58Å; F150-L163 HydrophobicContact CB-CG 4.3Å; F150-L163 HydrophobicContact CG-CD2 4.44Å; K159-L163 HydrophobicContact CB-CD1 3.8Å; K159-L163 HydrophobicContact CB-CG 4.34Å; K159-L163 HydrophobicContact CD-CD1 4.43Å; K159-L163 HydrophobicContact CG-CD1 3.87Å; K159-L163 VanDerWaalsContact O-CB 3.29Å; K159-L163 WeakPolarHBondContact O-CB 3.4Å; K159-L163 PolarHBondContact O-N 3.35Å; L163-K165 VanDerWaalsContact C-N 3.3Å; L163-K165 PolarHBondContact O-N 2.84Å; L163-L166 HydrophobicContact CD2-CD1 4.38Å; L163-L166 PolarHBondContact O-N 3.29Å; L163-A167 WeakPolarHBondContact O-CB 3.47Å; L163-A167 PolarHBondContact O-N 3.06Å
164	P	98.6	Very high	98.3	Very high	44 Å²	44	44 Å²	44	29%	0.286	23%	0.233	S	C	.	.	H	α-helix	trans	-57.4	-43.7	174.6	-25.9	35.9	0	0	0	113.1	Y111 K159 A160 A167 T168	Y111-P164 HydrophobicContact CD1-CG 4.27Å; Y111-P164 WeakPolarHBondContact O-CA 3.33Å; K159-P164 WeakPolarHBondContact O-CD 3.43Å; A160-P164 WeakPolarHBondContact O-CD 3.33Å; A160-P164 WeakPolarHBondContact O-CG 3.26Å; P164-A167 PolarHBondContact O-N 3.5Å; P164-T168 WeakPolarHBondContact O-CG2 3.49Å; P164-T168 PolarHBondContact O-N 2.98Å; P164-T168 PolarHBondContact O-OG1 3.35Å
165	K	98.5	Very high	98.3	Very high	78 Å²	78	43.5 Å²	43.5	34%	0.339	23%	0.228	S	C	.	.	H	α-helix	trans	-70.3	-39.6	-179.6	-58.8	177.9	-174.2	171.2	0	111.2	T161 Y162 L163 A167 T168 E169 K170	T161-K165 WeakPolarHBondContact O-CD 3.27Å; T161-K165 WeakPolarHBondContact O-CE 3.33Å; Y162-K165 PolarHBondContact O-N 3.11Å; Y162-K165 VanDerWaalsContact O-N 3.11Å; L163-K165 VanDerWaalsContact C-N 3.3Å; L163-K165 PolarHBondContact O-N 2.84Å; K165-A167 PolarHBondContact O-N 2.84Å; K165-T168 PolarHBondContact O-N 3.18Å; K165-E169 HydrophobicContact CB-CG 4.43Å; K165-E169 PolarHBondContact O-N 3.49Å; K165-K170 HydrophobicContact CB-CB 4.08Å; K165-K170 HydrophobicContact CB-CD 3.91Å; K165-K170 HydrophobicContact CB-CG 3.93Å; K165-K170 HydrophobicContact CD-CD 4Å; K165-K170 PolarHBondContact O-N 3Å
166	L	98.6	Very high	98.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-25.7	176.5	-70.9	167.8	0	0	0	112.8	F98 I107 Q142 I146 F150 Y162 L163 I216	F98-L166 WeakPolarHBondContact CE1-O 3.36Å; I107-L166 HydrophobicContact CD1-CB 4.33Å; Q142-L166 PolarHBondContact NE2-O 2.65Å; I146-L166 HydrophobicContact CG2-CD1 4.04Å; I146-L166 HydrophobicContact CG2-CD2 3.88Å; F150-L166 HydrophobicContact CD2-CD1 3.37Å; F150-L166 HydrophobicContact CE2-CD1 3.56Å; F150-L166 HydrophobicContact CG-CD1 4.07Å; F150-L166 HydrophobicContact CZ-CD1 4.37Å; Y162-L166 WeakPolarHBondContact O-CB 3.35Å; Y162-L166 VanDerWaalsContact O-CG 3.32Å; Y162-L166 WeakPolarHBondContact O-CG 3.22Å; Y162-L166 PolarHBondContact O-N 3.01Å; L163-L166 HydrophobicContact CD2-CD1 4.38Å; L163-L166 PolarHBondContact O-N 3.29Å; L166-I216 HydrophobicContact CD2-CG2 3.82Å
167	A	98.3	Very high	98.4	Very high	5 Å²	5	37.8 Å²	37.8	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-79.7	-27.4	174.2	0	0	0	0	0	113	F98 I107 L163 P164 K165	F98-A167 WeakPolarHBondContact CD1-O 3.45Å; I107-A167 HydrophobicContact CD1-CB 4.05Å; L163-A167 WeakPolarHBondContact O-CB 3.47Å; L163-A167 PolarHBondContact O-N 3.06Å; P164-A167 PolarHBondContact O-N 3.5Å; K165-A167 PolarHBondContact O-N 2.84Å
168	T	97.4	Very high	98.4	Very high	73 Å²	73	32.1 Å²	32.1	45%	0.448	17%	0.174	S	C	.	.	H	α-helix	trans	-117.7	-31.2	-168.1	62.3	0	0	0	0	116.4	F98 P164 K165	F98-T168 WeakPolarHBondContact CB-O 3.36Å; F98-T168 WeakPolarHBondContact CD1-O 3.36Å; F98-T168 WeakPolarHBondContact CG-O 3.47Å; P164-T168 WeakPolarHBondContact O-CG2 3.49Å; P164-T168 PolarHBondContact O-N 2.98Å; P164-T168 PolarHBondContact O-OG1 3.35Å; K165-T168 PolarHBondContact O-N 3.18Å
169	E	96.6	Very high	98.4	Very high	128 Å²	128	35.2 Å²	35.2	60%	0.598	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-155.8	-22.1	-166	65.5	-163.3	-159	0	0	116.9	K165	K165-E169 HydrophobicContact CB-CG 4.43Å; K165-E169 PolarHBondContact O-N 3.49Å
170	K	98.3	Very high	98.3	Very high	50 Å²	50	36.8 Å²	36.8	22%	0.217	23%	0.229	C	C	.	.			trans	-104.5	133.6	-175.9	-75.8	-163.9	170.4	-156.6	0	112.7	F98 Q142 K165 D215	F98-K170 WeakPolarHBondContact CZ-O 3.39Å; Q142-K170 PolarHBondContact NE2-O 2.97Å; K165-K170 HydrophobicContact CB-CB 4.08Å; K165-K170 HydrophobicContact CB-CD 3.91Å; K165-K170 HydrophobicContact CB-CG 3.93Å; K165-K170 HydrophobicContact CD-CD 4Å; K165-K170 PolarHBondContact O-N 3Å; K170-D215 VanDerWaalsContact CA-OD2 3.29Å; K170-D215 WeakPolarHBondContact CA-OD2 3.48Å; K170-D215 HydrophobicContact CB-CB 4.05Å; K170-D215 HydrophobicContact CD-CB 3.73Å; K170-D215 HydrophobicContact CG-CB 3.81Å
171	L	98.5	Very high	98.3	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	21%	0.207	C	C	.	.			trans	-94.7	142.9	172.4	-72	177.3	0	0	0	111.7	I94 F98 M103 V138 H213 A214 D215 I216	I94-L171 HydrophobicContact CD1-CD1 4.19Å; I94-L171 HydrophobicContact CG2-CD1 3.94Å; I94-L171 HydrophobicContact CG2-CG 4.45Å; F98-L171 HydrophobicContact CE2-CD2 3.94Å; F98-L171 HydrophobicContact CE2-CG 4.11Å; F98-L171 HydrophobicContact CZ-CD2 3.75Å; F98-L171 HydrophobicContact CZ-CG 4.09Å; M103-L171 HydrophobicContact CE-CD2 3.27Å; V138-L171 HydrophobicContact CG1-CD1 4.5Å; V138-L171 HydrophobicContact CG1-CD2 4.08Å; L171-H213 HydrophobicContact CD1-CB 3.75Å; L171-A214 CarbonylContact O-C 3.37Å; L171-A214 WeakPolarHBondContact O-CA 3.24Å; L171-D215 PolarHBondContact N-OD2 2.79Å; L171-D215 PolarHBondContact O-N 2.92Å; L171-I216 PolarHBondContact O-N 3.34Å
172	G	98.8	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	154.3	172.9	0	0	0	0	0	113.9	I216	G172-I216 CarbonylContact C-O 3.6Å; G172-I216 VanDerWaalsContact CA-O 3.29Å; G172-I216 WeakPolarHBondContact CA-O 3.16Å
173	S	98.8	Very high	98.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.3	170	-76	0	0	0	0	111.7	S209 A211 A214 I216 F217 L218	S173-S209 PolarHBondContact OG-O 3.41Å; S173-A211 PolarHBondContact OG-N 2.7Å; S173-A214 WeakPolarHBondContact OG-CB 3.33Å; S173-I216 PolarHBondContact N-O 3.16Å; S173-F217 VanDerWaalsContact CB-CD1 3.49Å; S173-F217 WeakPolarHBondContact O-CA 3.34Å; S173-L218 PolarHBondContact O-N 3.09Å
174	F	98.8	Very high	98.2	Very high	28 Å²	28	39.7 Å²	39.7	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.4	177.6	178.3	-96.5	0	0	0	110.4	I145 I146 L149 L176 F220 A286 L290	I145-F174 HydrophobicContact CG2-CB 3.86Å; I145-F174 HydrophobicContact CG2-CD2 3.33Å; I145-F174 HydrophobicContact CG2-CE2 3.94Å; I145-F174 HydrophobicContact CG2-CG 3.71Å; I146-F174 HydrophobicContact CD1-CB 4.17Å; L149-F174 HydrophobicContact CD1-CD2 4.03Å; L149-F174 HydrophobicContact CD1-CE2 4.01Å; F174-L176 HydrophobicContact CD1-CB 4.14Å; F174-L176 HydrophobicContact CE1-CB 3.43Å; F174-L176 VanDerWaalsContact CE1-CB 3.43Å; F174-L176 HydrophobicContact CE1-CD2 3.89Å; F174-L176 HydrophobicContact CE1-CG 4.31Å; F174-L176 HydrophobicContact CZ-CB 3.93Å; F174-L176 HydrophobicContact CZ-CD2 4.04Å; F174-F220 AromaticContact CD2-CE2 3.67Å; F174-F220 HydrophobicContact CD2-CE2 3.67Å; F174-F220 HydrophobicContact CD2-CZ 4.3Å; F174-F220 HydrophobicContact CE2-CD2 4.19Å; F174-F220 AromaticContact CE2-CE2 3.15Å; F174-F220 HydrophobicContact CE2-CE2 3.15Å; F174-F220 AromaticContact CE2-CZ 3.5Å; F174-F220 HydrophobicContact CE2-CZ 3.5Å; F174-F220 HydrophobicContact CZ-CD2 4.32Å; F174-F220 AromaticContact CZ-CE2 3.64Å; F174-F220 HydrophobicContact CZ-CE2 3.64Å; F174-F220 HydrophobicContact CZ-CZ 4.07Å; F174-A286 HydrophobicContact CZ-CB 4.12Å; F174-L290 HydrophobicContact CE1-CD2 4.09Å; F174-L290 HydrophobicContact CE1-CG 4.46Å; F174-L290 HydrophobicContact CZ-CD2 4.41Å; F174-L290 HydrophobicContact CZ-CG 4.34Å
175	C	98.8	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	76.5	-164.9	-47	0	0	0	0	112	K205 I208 L218 V219 F220 L263	C175-K205 HydrophobicContact CB-CG 4.11Å; C175-K205 WeakPolarHBondContact O-CE 3.34Å; C175-I208 HydrophobicContact CB-CD1 4.22Å; C175-I208 HydrophobicContact CB-CG1 4.49Å; C175-L218 WeakPolarHBondContact CA-O 3.25Å; C175-L218 WeakPolarHBondContact CB-O 3.02Å; C175-L218 PolarHBondContact N-O 3.32Å; C175-V219 HydrophobicContact CB-CB 4.46Å; C175-V219 HydrophobicContact CB-CG2 4.03Å; C175-F220 PolarHBondContact O-N 3.04Å; C175-F220 VanDerWaalsContact O-N 3.08Å; C175-L263 HydrophobicContact CB-CD1 4.19Å
176	L	98.8	Very high	98	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	25%	0.245	C	C	.	.			trans	-102.4	-58.6	-179.5	-179.5	63.5	0	0	0	112.3	F174 L188 K205 F220 A286 L290	F174-L176 HydrophobicContact CD1-CB 4.14Å; F174-L176 HydrophobicContact CE1-CB 3.43Å; F174-L176 VanDerWaalsContact CE1-CB 3.43Å; F174-L176 HydrophobicContact CE1-CD2 3.89Å; F174-L176 HydrophobicContact CE1-CG 4.31Å; F174-L176 HydrophobicContact CZ-CB 3.93Å; F174-L176 HydrophobicContact CZ-CD2 4.04Å; L176-L188 HydrophobicContact CD1-CD2 4.05Å; L176-K205 WeakPolarHBondContact O-CD 3.37Å; L176-K205 PolarHBondContact O-NZ 3.27Å; L176-F220 HydrophobicContact CB-CD2 4.16Å; L176-F220 HydrophobicContact CD1-CB 3.8Å; L176-F220 HydrophobicContact CD1-CD1 4.46Å; L176-F220 HydrophobicContact CD1-CD2 4.17Å; L176-F220 HydrophobicContact CD1-CG 3.87Å; L176-A286 HydrophobicContact CD1-CB 4.23Å; L176-A286 HydrophobicContact CD2-CB 4.13Å; L176-L290 HydrophobicContact CD2-CD1 3.98Å
177	S	98.6	Very high	97.9	Very high	35 Å²	35	40.3 Å²	40.3	25%	0.245	26%	0.261	C	S	.	.			trans	-65.3	149.4	-168.6	-55.5	0	0	0	0	113.7	A181 K205 M206	S177-A181 WeakPolarHBondContact CA-O 3.3Å; S177-K205 WeakPolarHBondContact O-CA 3.29Å; S177-K205 WeakPolarHBondContact O-CD 3.24Å; S177-M206 WeakPolarHBondContact CB-O 3.2Å; S177-M206 PolarHBondContact O-N 2.96Å
178	E	98.8	Very high	97.9	Very high	13 Å²	13	40.6 Å²	40.6	6%	0.061	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-132.4	167	174.7	-55.1	-171.5	175.7	0	0	110.2	G180 A181 L188 K189 T190 S204 K205	E178-G180 PolarHBondContact O-N 3.5Å; E178-G180 VanDerWaalsContact O-N 3.16Å; E178-A181 HydrophobicContact CB-CB 4.04Å; E178-A181 HydrophobicContact CG-CB 4.48Å; E178-A181 PolarHBondContact N-O 3.24Å; E178-A181 CarbonylContact O-C 3.43Å; E178-A181 PolarHBondContact O-N 2.87Å; E178-L188 HydrophobicContact CG-CB 4.3Å; E178-L188 WeakPolarHBondContact OE1-CB 3.42Å; E178-K189 PolarHBondContact OE1-N 3.4Å; E178-K189 PolarHBondContact OE2-N 2.92Å; E178-T190 WeakPolarHBondContact OE1-CB 3.13Å; E178-T190 PolarHBondContact OE1-N 2.71Å; E178-T190 PolarHBondContact OE1-OG1 3.07Å; E178-S204 WeakPolarHBondContact CG-O 3.27Å; E178-K205 HydrophobicContact CG-CD 3.88Å; E178-K205 IonicContact OE1-NZ 3.45Å; E178-K205 PolarHBondContact OE1-NZ 3.43Å
179	A	97.9	Very high	98	Very high	80 Å²	80	45.6 Å²	45.6	66%	0.661	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-36.6	176.9	0	0	0	0	0	112.7	M206	A179-M206 HydrophobicContact CB-CE 4.16Å
180	G	97.3	Very high	98.1	Very high	70 Å²	70	39.5 Å²	39.5	72%	0.722	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-0.3	176.4	0	0	0	0	0	115.3	E178	E178-G180 PolarHBondContact O-N 3.5Å; E178-G180 VanDerWaalsContact O-N 3.16Å
181	A	97.3	Very high	98.1	Very high	1 Å²	1	43 Å²	43	1%	0.008	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-139.8	79.6	-172.9	0	0	0	0	0	110.7	S177 E178 D184 A187 L188	S177-A181 WeakPolarHBondContact CA-O 3.3Å; E178-A181 HydrophobicContact CB-CB 4.04Å; E178-A181 HydrophobicContact CG-CB 4.48Å; E178-A181 PolarHBondContact N-O 3.24Å; E178-A181 CarbonylContact O-C 3.43Å; E178-A181 PolarHBondContact O-N 2.87Å; A181-D184 WeakPolarHBondContact CB-O 3.37Å; A181-A187 HydrophobicContact CB-CB 4.47Å; A181-L188 HydrophobicContact CB-CB 4.4Å
182	G	97.5	Very high	98.1	Very high	39 Å²	39	42.7 Å²	42.7	40%	0.402	26%	0.259	S	S	.	.	S	Bend	trans	-98.1	-90.2	173.8	0	0	0	0	0	111.1	D184 S185	G182-D184 VanDerWaalsContact C-N 3.32Å; G182-D184 PolarHBondContact O-N 2.87Å; G182-S185 PolarHBondContact O-N 3.44Å; G182-S185 PolarHBondContact O-OG 2.96Å
183	S	97.5	Very high	98.1	Very high	71 Å²	71	45 Å²	45	50%	0.497	27%	0.271	S	S	.	.	S	Bend	trans	-63.8	-36.1	174.7	-67.3	0	0	0	0	112.7	S185	S183-S185 PolarHBondContact O-N 3.3Å
184	D	97.6	Very high	98.1	Very high	108 Å²	108	50.5 Å²	50.5	58%	0.578	30%	0.295	S	S	*	.	S	Bend	trans	-86.5	65	168.1	-172.1	9	0	0	0	110	A181 G182 F186 A187	A181-D184 WeakPolarHBondContact CB-O 3.37Å; G182-D184 VanDerWaalsContact C-N 3.32Å; G182-D184 PolarHBondContact O-N 2.87Å; D184-F186 PolarHBondContact O-N 2.91Å; D184-F186 VanDerWaalsContact O-N 3.13Å; D184-A187 HydrophobicContact CB-CB 4.41Å; D184-A187 PolarHBondContact O-N 3.26Å; D184-A187 WeakPolarHBondContact OD2-CB 3.2Å
185	S	95.6	Very high	98	Very high	26 Å²	26	54 Å²	54	18%	0.182	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-63.9	-21.9	-169.4	-44	0	0	0	0	113.5	G182 S183	G182-S185 PolarHBondContact O-N 3.44Å; G182-S185 PolarHBondContact O-OG 2.96Å; S183-S185 PolarHBondContact O-N 3.3Å
186	F	97.4	Very high	97.8	Very high	69 Å²	69	56.6 Å²	56.6	30%	0.303	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-90	-2.1	-177.5	-56.5	-27.9	0	0	0	113.6	D184 L188 I232 Y283 I287	D184-F186 PolarHBondContact O-N 2.91Å; D184-F186 VanDerWaalsContact O-N 3.13Å; F186-L188 PolarHBondContact O-N 2.9Å; F186-I232 HydrophobicContact CB-CD1 3.87Å; F186-I232 HydrophobicContact CD1-CD1 3.92Å; F186-I232 HydrophobicContact CG-CD1 4.17Å; F186-Y283 HydrophobicContact CE2-CD2 4.44Å; F186-Y283 WeakPolarHBondContact CZ-O 3.37Å; F186-I287 HydrophobicContact CZ-CB 4.28Å
187	A	98	Very high	97.7	Very high	42 Å²	42	62.7 Å²	62.7	35%	0.347	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-80.4	13.4	166.5	0	0	0	0	0	113.4	A181 D184	A181-A187 HydrophobicContact CB-CB 4.47Å; D184-A187 HydrophobicContact CB-CB 4.41Å; D184-A187 PolarHBondContact O-N 3.26Å; D184-A187 WeakPolarHBondContact OD2-CB 3.2Å
188	L	98.5	Very high	97.7	Very high	10 Å²	10	62.8 Å²	62.8	5%	0.052	37%	0.372	C	S	.	.			trans	-54.3	141	178	71.3	86.3	0	0	0	111.6	L176 E178 A181 F186 T190 F220 N222 I232	L176-L188 HydrophobicContact CD1-CD2 4.05Å; E178-L188 HydrophobicContact CG-CB 4.3Å; E178-L188 WeakPolarHBondContact OE1-CB 3.42Å; A181-L188 HydrophobicContact CB-CB 4.4Å; F186-L188 PolarHBondContact O-N 2.9Å; L188-T190 WeakPolarHBondContact CD1-O 3.35Å; L188-F220 HydrophobicContact CD2-CB 4.13Å; L188-N222 HydrophobicContact CD1-CB 4.01Å; L188-I232 HydrophobicContact CD1-CG1 4.35Å; L188-I232 HydrophobicContact CD2-CD1 3.72Å; L188-I232 HydrophobicContact CD2-CG1 4.01Å; L188-I232 HydrophobicContact CD2-CG2 3.99Å; L188-I232 HydrophobicContact CG-CD1 4.03Å; L188-I232 HydrophobicContact CG-CG1 4.21Å
189	K	98.6	Very high	97.7	Very high	178 Å²	178	62.6 Å²	62.6	77%	0.774	37%	0.371	S	S	*	.			trans	-109.1	-13	-176.6	-65	-171.1	178.3	-177.6	0	113.4	E178 R191	E178-K189 PolarHBondContact OE1-N 3.4Å; E178-K189 PolarHBondContact OE2-N 2.92Å; K189-R191 PolarHBondContact O-N 2.82Å
190	T	98.9	Very high	97.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.346	C	S	.	.			trans	-56.7	124.2	171.6	-59.5	0	0	0	0	109	E178 L188 I201 N202 S204 A221 N222	E178-T190 WeakPolarHBondContact OE1-CB 3.13Å; E178-T190 PolarHBondContact OE1-N 2.71Å; E178-T190 PolarHBondContact OE1-OG1 3.07Å; L188-T190 WeakPolarHBondContact CD1-O 3.35Å; T190-I201 HydrophobicContact CG2-CG2 3.75Å; T190-N202 WeakPolarHBondContact CA-O 3.39Å; T190-S204 PolarHBondContact OG1-N 2.55Å; T190-S204 PolarHBondContact OG1-O 3.27Å; T190-S204 VanDerWaalsContact OG1-O 3.11Å; T190-A221 HydrophobicContact CG2-CB 3.85Å; T190-A221 CarbonylContact O-C 3.59Å; T190-A221 WeakPolarHBondContact O-CA 3.32Å; T190-N222 PolarHBondContact O-N 3.15Å
191	R	98.7	Very high	97.8	Very high	123 Å²	123	56.8 Å²	56.8	46%	0.464	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	154	-176.1	68	-173.4	-71.6	-158.4	-1	111	K189 D193 I201 N202 N222	K189-R191 PolarHBondContact O-N 2.82Å; R191-D193 VanDerWaalsContact CZ-CG 3.44Å; R191-D193 IonicContact CZ-OD1 3.16Å; R191-D193 IonicContact CZ-OD2 2.97Å; R191-D193 VanDerWaalsContact NE-CG 3.28Å; R191-D193 IonicContact NE-OD1 2.85Å; R191-D193 PolarHBondContact NE-OD1 2.97Å; R191-D193 IonicContact NE-OD2 2.85Å; R191-D193 PolarHBondContact NE-OD2 3.46Å; R191-D193 IonicContact NH1-OD2 3.79Å; R191-D193 IonicContact NH2-OD1 2.66Å; R191-D193 PolarHBondContact NH2-OD1 3.34Å; R191-D193 IonicContact NH2-OD2 3.02Å; R191-D193 PolarHBondContact NH2-OD2 3.5Å; R191-I201 VanDerWaalsContact O-CA 3.3Å; R191-I201 WeakPolarHBondContact O-CA 3.41Å; R191-N202 HydrophobicContact CG-CB 4.17Å; R191-N202 PolarHBondContact N-O 3.35Å; R191-N202 PolarHBondContact O-N 3.36Å; R191-N222 CarbonylContact C-O 3.59Å; R191-N222 VanDerWaalsContact CA-O 3.29Å; R191-N222 WeakPolarHBondContact CA-O 3.48Å
192	A	98.8	Very high	97.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	102.2	173.8	0	0	0	0	0	109.2	Y199 I200 I201 A221 N222 V223 F235	A192-Y199 HydrophobicContact CB-CD1 4.14Å; A192-I200 WeakPolarHBondContact CA-O 3.44Å; A192-I201 HydrophobicContact CB-CG1 4.02Å; A192-A221 HydrophobicContact CB-CB 3.83Å; A192-N222 PolarHBondContact N-O 3.07Å; A192-V223 HydrophobicContact CB-CG1 3.93Å; A192-V223 WeakPolarHBondContact O-CA 3.46Å; A192-F235 HydrophobicContact CB-CD2 4.46Å; A192-F235 HydrophobicContact CB-CE1 4.48Å; A192-F235 HydrophobicContact CB-CE2 3.56Å; A192-F235 HydrophobicContact CB-CZ 3.57Å
193	D	98.6	Very high	97.9	Very high	47 Å²	47	58.5 Å²	58.5	25%	0.251	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.1	-176.1	-59.7	-51.9	0	0	0	110.9	R191 N195 Y199 I200	R191-D193 VanDerWaalsContact CZ-CG 3.44Å; R191-D193 IonicContact CZ-OD1 3.16Å; R191-D193 IonicContact CZ-OD2 2.97Å; R191-D193 VanDerWaalsContact NE-CG 3.28Å; R191-D193 IonicContact NE-OD1 2.85Å; R191-D193 PolarHBondContact NE-OD1 2.97Å; R191-D193 IonicContact NE-OD2 2.85Å; R191-D193 PolarHBondContact NE-OD2 3.46Å; R191-D193 IonicContact NH1-OD2 3.79Å; R191-D193 IonicContact NH2-OD1 2.66Å; R191-D193 PolarHBondContact NH2-OD1 3.34Å; R191-D193 IonicContact NH2-OD2 3.02Å; R191-D193 PolarHBondContact NH2-OD2 3.5Å; D193-N195 PolarHBondContact O-N 2.97Å; D193-Y199 CarbonylContact O-C 3.55Å; D193-Y199 WeakPolarHBondContact O-CA 3.28Å; D193-I200 PolarHBondContact N-O 2.85Å; D193-I200 PolarHBondContact O-N 2.76Å
194	K	97.9	Very high	98	Very high	117 Å²	117	56.9 Å²	56.9	51%	0.509	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	126.9	176.9	-168.6	159.9	-174	162.9	0	110.2	G196 Y199 E272	K194-G196 WeakPolarHBondContact CE-O 3.38Å; K194-Y199 HydrophobicContact CB-CD1 4.2Å; K194-Y199 HydrophobicContact CB-CE1 3.86Å; K194-Y199 HydrophobicContact CD-CE1 4.43Å; K194-Y199 HydrophobicContact CG-CE1 4.29Å; K194-E272 IonicContact NZ-OE1 2.74Å; K194-E272 PolarHBondContact NZ-OE1 3.47Å; K194-E272 IonicContact NZ-OE2 2.82Å; K194-E272 PolarHBondContact NZ-OE2 3.09Å; K194-E272 VanDerWaalsContact NZ-OE2 3.11Å
195	N	96.4	Very high	98.1	Very high	101 Å²	101	51.8 Å²	51.8	54%	0.54	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	93.1	177.9	-175.9	10.4	0	0	0	109.6	D193 N197 D198 I200	D193-N195 PolarHBondContact O-N 2.97Å; N195-N197 PolarHBondContact O-N 3.42Å; N195-D198 CarbonylContact C-O 3.55Å; N195-D198 PolarHBondContact N-O 2.91Å; N195-D198 PolarHBondContact O-N 3.18Å; N195-D198 VanDerWaalsContact O-N 3.12Å; N195-I200 HydrophobicContact CB-CG1 3.91Å
196	G	96	Very high	98.2	Very high	55 Å²	55	51.7 Å²	51.7	57%	0.567	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	-122	-172.7	0	0	0	0	0	111.7	K194 D198	K194-G196 WeakPolarHBondContact CE-O 3.38Å; G196-D198 VanDerWaalsContact C-N 3.31Å
197	N	96	Very high	98.2	Very high	131 Å²	131	55.3 Å²	55.3	70%	0.701	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	6.5	177.9	-64.1	-19	0	0	0	113	N195 E272	N195-N197 PolarHBondContact O-N 3.42Å; N197-E272 VanDerWaalsContact O-CB 3.31Å; N197-E272 WeakPolarHBondContact O-CB 3.25Å; N197-E272 PolarHBondContact O-N 3.19Å
198	D	98	Very high	98.3	Very high	38 Å²	38	53.4 Å²	53.4	20%	0.203	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	164.4	-175.8	-55.7	-59.4	0	0	0	110.7	N195 G196 K269 V270 P271	N195-D198 CarbonylContact C-O 3.55Å; N195-D198 PolarHBondContact N-O 2.91Å; N195-D198 PolarHBondContact O-N 3.18Å; N195-D198 VanDerWaalsContact O-N 3.12Å; G196-D198 VanDerWaalsContact C-N 3.31Å; D198-K269 HydrophobicContact CB-CG 4.11Å; D198-K269 WeakPolarHBondContact OD2-CE 3.39Å; D198-K269 IonicContact OD2-NZ 2.94Å; D198-K269 PolarHBondContact OD2-NZ 3.02Å; D198-V270 CarbonylContact C-O 3.55Å; D198-V270 VanDerWaalsContact CA-O 3.29Å; D198-V270 WeakPolarHBondContact CA-O 3.41Å; D198-P271 WeakPolarHBondContact OD1-CA 3.37Å
199	Y	98.8	Very high	98.3	Very high	9 Å²	9	54 Å²	54	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.2	165.5	-72.5	-94.5	0	0	0	109.7	A192 D193 K194 V223 F235 K269 V270 E272 V275	A192-Y199 HydrophobicContact CB-CD1 4.14Å; D193-Y199 CarbonylContact O-C 3.55Å; D193-Y199 WeakPolarHBondContact O-CA 3.28Å; K194-Y199 HydrophobicContact CB-CD1 4.2Å; K194-Y199 HydrophobicContact CB-CE1 3.86Å; K194-Y199 HydrophobicContact CD-CE1 4.43Å; K194-Y199 HydrophobicContact CG-CE1 4.29Å; Y199-V223 HydrophobicContact CD1-CG1 4.03Å; Y199-V223 HydrophobicContact CE1-CB 4.23Å; Y199-V223 HydrophobicContact CE1-CG1 3.62Å; Y199-F235 HydrophobicContact CD1-CE1 4.15Å; Y199-F235 HydrophobicContact CD1-CZ 4.03Å; Y199-F235 AromaticContact CD2-CE1 3.74Å; Y199-F235 HydrophobicContact CD2-CE1 3.74Å; Y199-F235 HydrophobicContact CD2-CZ 4.41Å; Y199-F235 HydrophobicContact CE1-CZ 4.38Å; Y199-F235 HydrophobicContact CE2-CE1 4.23Å; Y199-F235 AromaticContact CG-CE1 3.69Å; Y199-F235 HydrophobicContact CG-CE1 3.69Å; Y199-F235 HydrophobicContact CG-CZ 4.04Å; Y199-K269 WeakPolarHBondContact O-CA 3.44Å; Y199-V270 PolarHBondContact N-O 3.42Å; Y199-V270 PolarHBondContact O-N 3.31Å; Y199-E272 HydrophobicContact CE2-CB 4.23Å; Y199-E272 HydrophobicContact CE2-CG 4.18Å; Y199-V275 HydrophobicContact CE2-CG2 4.19Å
200	I	98.8	Very high	98.3	Very high	27 Å²	27	45.7 Å²	45.7	14%	0.138	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.5	173.7	-51.8	-58.1	0	0	0	108.3	A192 D193 N195 N267 V268 K269	A192-I200 WeakPolarHBondContact CA-O 3.44Å; D193-I200 PolarHBondContact N-O 2.85Å; D193-I200 PolarHBondContact O-N 2.76Å; N195-I200 HydrophobicContact CB-CG1 3.91Å; I200-N267 HydrophobicContact CG2-CB 3.96Å; I200-V268 CarbonylContact C-O 3.4Å; I200-V268 WeakPolarHBondContact CA-O 3.32Å; I200-K269 HydrophobicContact CD1-CB 3.87Å; I200-K269 HydrophobicContact CD1-CD 4.34Å; I200-K269 HydrophobicContact CD1-CG 3.79Å
201	I	98.9	Very high	98.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.2	-177.8	-54.3	-179.8	0	0	0	109.7	T190 R191 A192 A221 F235 V237 F265 N267 V268 V270	T190-I201 HydrophobicContact CG2-CG2 3.75Å; R191-I201 VanDerWaalsContact O-CA 3.3Å; R191-I201 WeakPolarHBondContact O-CA 3.41Å; A192-I201 HydrophobicContact CB-CG1 4.02Å; I201-A221 HydrophobicContact CG2-CB 4.28Å; I201-F235 HydrophobicContact CD1-CB 4.02Å; I201-F235 HydrophobicContact CD1-CD1 4.44Å; I201-F235 HydrophobicContact CD1-CD2 4.17Å; I201-F235 HydrophobicContact CD1-CG 3.96Å; I201-V237 HydrophobicContact CD1-CG2 4.1Å; I201-F265 HydrophobicContact CG2-CB 4.01Å; I201-F265 HydrophobicContact CG2-CD1 3.97Å; I201-F265 HydrophobicContact CG2-CG 4Å; I201-N267 PolarHBondContact O-N 2.99Å; I201-V268 HydrophobicContact CB-CB 4.2Å; I201-V268 PolarHBondContact N-O 3.49Å; I201-V268 PolarHBondContact O-N 3.4Å; I201-V270 HydrophobicContact CD1-CG1 4.48Å; I201-V270 HydrophobicContact CD1-CG2 3.92Å; I201-V270 HydrophobicContact CG1-CG2 4.3Å
202	N	98.9	Very high	98.2	Very high	45 Å²	45	43.2 Å²	43.2	24%	0.241	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.7	175.2	-83.1	-72.5	0	0	0	110.7	T190 R191 F265 N267	T190-N202 WeakPolarHBondContact CA-O 3.39Å; R191-N202 HydrophobicContact CG-CB 4.17Å; R191-N202 PolarHBondContact N-O 3.35Å; R191-N202 PolarHBondContact O-N 3.36Å; N202-F265 WeakPolarHBondContact CA-O 3.49Å; N202-N267 PolarHBondContact ND2-OD1 2.93Å; N202-N267 PolarHBondContact OD1-N 2.8Å; N202-N267 PolarHBondContact OD1-OD1 3.35Å
203	G	98.7	Very high	98.1	Very high	32 Å²	32	45.8 Å²	45.8	33%	0.33	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	147.6	-153.1	177.2	0	0	0	0	0	113.4	F265	G203-F265 PolarHBondContact N-O 2.71Å; G203-F265 VanDerWaalsContact N-O 3.09Å; G203-F265 PolarHBondContact O-N 3.22Å
204	S	98.8	Very high	98.1	Very high	37 Å²	37	43.5 Å²	43.5	26%	0.259	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	149.8	178.7	65.2	0	0	0	0	111.2	E178 T190 L263	E178-S204 WeakPolarHBondContact CG-O 3.27Å; T190-S204 PolarHBondContact OG1-N 2.55Å; T190-S204 PolarHBondContact OG1-O 3.27Å; T190-S204 VanDerWaalsContact OG1-O 3.11Å; S204-L263 CarbonylContact C-O 3.59Å; S204-L263 WeakPolarHBondContact CA-O 3.23Å; S204-L263 VanDerWaalsContact CB-O 3.25Å; S204-L263 WeakPolarHBondContact CB-O 3.28Å
205	K	98.9	Very high	98.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152	172.9	-62.5	-66.7	180	-167.9	0	109.9	C175 L176 S177 E178 I208 F220 Q262 L263 F265	C175-K205 HydrophobicContact CB-CG 4.11Å; C175-K205 WeakPolarHBondContact O-CE 3.34Å; L176-K205 WeakPolarHBondContact O-CD 3.37Å; L176-K205 PolarHBondContact O-NZ 3.27Å; S177-K205 WeakPolarHBondContact O-CA 3.29Å; S177-K205 WeakPolarHBondContact O-CD 3.24Å; E178-K205 HydrophobicContact CG-CD 3.88Å; E178-K205 IonicContact OE1-NZ 3.45Å; E178-K205 PolarHBondContact OE1-NZ 3.43Å; K205-I208 HydrophobicContact CB-CD1 3.97Å; K205-I208 HydrophobicContact CB-CG1 3.87Å; K205-F220 WeakPolarHBondContact CE-O 3.33Å; K205-F220 PolarHBondContact NZ-O 2.79Å; K205-Q262 CarbonylContact O-C 3.56Å; K205-Q262 WeakPolarHBondContact O-CA 3.28Å; K205-Q262 VanDerWaalsContact O-CG 3.25Å; K205-Q262 WeakPolarHBondContact O-CG 3.29Å; K205-L263 HydrophobicContact CB-CB 4.12Å; K205-L263 HydrophobicContact CB-CD1 4.22Å; K205-L263 HydrophobicContact CB-CG 4.35Å; K205-L263 PolarHBondContact N-O 3.43Å; K205-L263 PolarHBondContact O-N 2.94Å; K205-F265 HydrophobicContact CB-CE2 4.31Å; K205-F265 HydrophobicContact CG-CE2 3.71Å; K205-F265 HydrophobicContact CG-CZ 4.27Å
206	M	98.4	Very high	98.3	Very high	25 Å²	25	35.6 Å²	35.6	12%	0.123	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.9	-174.6	-167.3	65.2	84.4	0	0	110.2	S177 A179 I208 Q262	S177-M206 WeakPolarHBondContact CB-O 3.2Å; S177-M206 PolarHBondContact O-N 2.96Å; A179-M206 HydrophobicContact CB-CE 4.16Å; M206-I208 WeakPolarHBondContact O-CD1 3.22Å; M206-Q262 HydrophobicContact CE-CB 4.48Å; M206-Q262 HydrophobicContact CE-CG 4.02Å; M206-Q262 HydrophobicContact SD-CB 3.87Å; M206-Q262 HydrophobicContact SD-CG 3.94Å
207	W	98.6	Very high	98.4	Very high	144 Å²	144	33 Å²	33	55%	0.545	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	67.6	34	177.5	-40.7	115.3	0	0	0	114.2	S209 E250 T260	W207-S209 PolarHBondContact O-N 3.26Å; W207-E250 HydrophobicContact CE3-CG 4.27Å; W207-E250 HydrophobicContact CZ3-CG 3.99Å; W207-T260 HydrophobicContact CB-CG2 4.34Å; W207-T260 HydrophobicContact CE3-CG2 4.44Å
208	I	98.9	Very high	98.5	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.015	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	106.7	-174.1	-52.3	-45.9	0	0	0	110.5	C175 K205 M206 A211 T260 C261 L263	C175-I208 HydrophobicContact CB-CD1 4.22Å; C175-I208 HydrophobicContact CB-CG1 4.49Å; K205-I208 HydrophobicContact CB-CD1 3.97Å; K205-I208 HydrophobicContact CB-CG1 3.87Å; M206-I208 WeakPolarHBondContact O-CD1 3.22Å; I208-A211 HydrophobicContact CB-CB 4.22Å; I208-A211 HydrophobicContact CG2-CB 4.05Å; I208-A211 WeakPolarHBondContact O-CB 3.46Å; I208-T260 WeakPolarHBondContact O-CA 3.09Å; I208-C261 PolarHBondContact N-O 3.25Å; I208-C261 PolarHBondContact O-N 3.29Å; I208-L263 HydrophobicContact CB-CD1 4.14Å; I208-L263 HydrophobicContact CB-CG 4.19Å; I208-L263 HydrophobicContact CG1-CD1 3.72Å; I208-L263 HydrophobicContact CG1-CG 3.82Å; I208-L263 HydrophobicContact CG2-CD1 4.07Å
209	S	98.8	Very high	98.6	Very high	23 Å²	23	25 Å²	25	16%	0.161	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	150.1	174.2	-65.1	0	0	0	0	111.8	S173 W207 A211 S259	S173-S209 PolarHBondContact OG-O 3.41Å; W207-S209 PolarHBondContact O-N 3.26Å; S209-A211 PolarHBondContact O-N 3.35Å; S209-A211 VanDerWaalsContact O-N 3.07Å; S209-S259 CarbonylContact C-O 3.15Å; S209-S259 VanDerWaalsContact CA-O 3.22Å; S209-S259 WeakPolarHBondContact CA-O 3.42Å
210	N	97.9	Very high	98.6	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	-5.5	-177.4	-59.8	-12.6	0	0	0	115.7	V138 E212 H213 A214 S259	V138-N210 WeakPolarHBondContact CG2-OD1 3.34Å; N210-E212 PolarHBondContact O-N 2.76Å; N210-H213 CarbonylContact O-C 3.5Å; N210-H213 PolarHBondContact O-N 3.33Å; N210-A214 WeakPolarHBondContact O-CB 3.38Å; N210-A214 PolarHBondContact O-N 2.83Å; N210-S259 VanDerWaalsContact C-OG 3.23Å; N210-S259 WeakPolarHBondContact CA-OG 3.31Å; N210-S259 PolarHBondContact N-O 3.04Å
211	A	98.3	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-34.7	-171.3	0	0	0	0	0	114.4	S173 I208 S209 H213 F217 R239 I246 S259 C261 L263	S173-A211 PolarHBondContact OG-N 2.7Å; I208-A211 HydrophobicContact CB-CB 4.22Å; I208-A211 HydrophobicContact CG2-CB 4.05Å; I208-A211 WeakPolarHBondContact O-CB 3.46Å; S209-A211 PolarHBondContact O-N 3.35Å; S209-A211 VanDerWaalsContact O-N 3.07Å; A211-H213 PolarHBondContact O-N 2.72Å; A211-F217 HydrophobicContact CB-CE1 4.04Å; A211-R239 PolarHBondContact O-NH1 3.02Å; A211-I246 HydrophobicContact CB-CG2 4.15Å; A211-I246 WeakPolarHBondContact O-CD1 3.37Å; A211-S259 PolarHBondContact N-OG 2.85Å; A211-C261 HydrophobicContact CB-CB 3.81Å; A211-L263 HydrophobicContact CB-CD2 4.11Å
212	E	97.6	Very high	98.6	Very high	71 Å²	71	23.7 Å²	23.7	33%	0.332	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.3	177.9	-173	174.3	-170.5	0	0	112.8	N210 R239 S259	N210-E212 PolarHBondContact O-N 2.76Å; E212-R239 PolarHBondContact O-NH1 3.5Å; E212-R239 PolarHBondContact O-NH2 3.04Å; E212-S259 WeakPolarHBondContact CB-OG 3.38Å; E212-S259 PolarHBondContact N-OG 3.25Å; E212-S259 WeakPolarHBondContact OE2-CB 3.34Å
213	H	97.7	Very high	98.6	Very high	53 Å²	53	23.3 Å²	23.3	25%	0.245	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-9.3	-174.7	-57.4	-56.3	0	0	0	114	I94 L171 N210 A211	I94-H213 HydrophobicContact CD1-CB 4.45Å; L171-H213 HydrophobicContact CD1-CB 3.75Å; N210-H213 CarbonylContact O-C 3.5Å; N210-H213 PolarHBondContact O-N 3.33Å; A211-H213 PolarHBondContact O-N 2.72Å
214	A	98.4	Very high	98.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.12	C	C	.	.			trans	-71	138.7	-177.5	0	0	0	0	0	112.5	L171 S173 N210 F217 R239	L171-A214 CarbonylContact O-C 3.37Å; L171-A214 WeakPolarHBondContact O-CA 3.24Å; S173-A214 WeakPolarHBondContact OG-CB 3.33Å; N210-A214 WeakPolarHBondContact O-CB 3.38Å; N210-A214 PolarHBondContact O-N 2.83Å; A214-F217 HydrophobicContact CB-CE1 4.08Å; A214-F217 HydrophobicContact CB-CE2 4.13Å; A214-F217 HydrophobicContact CB-CZ 3.74Å; A214-F217 WeakPolarHBondContact O-CE2 3.29Å; A214-R239 WeakPolarHBondContact O-CD 3.43Å; A214-R239 PolarHBondContact O-NH1 3.37Å
215	D	98.6	Very high	98.5	Very high	50 Å²	50	26.5 Å²	26.5	27%	0.267	13%	0.134	S	C	.	.	S	Bend	trans	-97.2	-25.2	177.7	-57.7	-80.1	0	0	0	111.7	K170 L171 R239	K170-D215 VanDerWaalsContact CA-OD2 3.29Å; K170-D215 WeakPolarHBondContact CA-OD2 3.48Å; K170-D215 HydrophobicContact CB-CB 4.05Å; K170-D215 HydrophobicContact CD-CB 3.73Å; K170-D215 HydrophobicContact CG-CB 3.81Å; L171-D215 PolarHBondContact N-OD2 2.79Å; L171-D215 PolarHBondContact O-N 2.92Å; D215-R239 PolarHBondContact O-N 2.8Å
216	I	98.6	Very high	98.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.7	-178.5	-175	62.1	0	0	0	110.9	F150 Y162 L166 L171 G172 S173 L236	F150-I216 HydrophobicContact CZ-CG1 4.19Å; Y162-I216 HydrophobicContact CD1-CD1 4.42Å; Y162-I216 HydrophobicContact CD1-CG1 4.28Å; Y162-I216 HydrophobicContact CE1-CD1 3.78Å; Y162-I216 HydrophobicContact CE1-CG1 4.13Å; L166-I216 HydrophobicContact CD2-CG2 3.82Å; L171-I216 PolarHBondContact O-N 3.34Å; G172-I216 CarbonylContact C-O 3.6Å; G172-I216 VanDerWaalsContact CA-O 3.29Å; G172-I216 WeakPolarHBondContact CA-O 3.16Å; S173-I216 PolarHBondContact N-O 3.16Å; I216-L236 HydrophobicContact CD1-CB 4.17Å
217	F	98.9	Very high	98.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.2	-176.9	-63.6	-100.5	0	0	0	109.4	S173 A211 A214 V219 F235 V237 R239 F244 I246 L263	S173-F217 VanDerWaalsContact CB-CD1 3.49Å; S173-F217 WeakPolarHBondContact O-CA 3.34Å; A211-F217 HydrophobicContact CB-CE1 4.04Å; A214-F217 HydrophobicContact CB-CE1 4.08Å; A214-F217 HydrophobicContact CB-CE2 4.13Å; A214-F217 HydrophobicContact CB-CZ 3.74Å; A214-F217 WeakPolarHBondContact O-CE2 3.29Å; F217-V219 HydrophobicContact CB-CG2 3.87Å; F217-V219 PolarHBondContact O-N 2.6Å; F217-F235 VanDerWaalsContact O-O 3.12Å; F217-V237 HydrophobicContact CB-CB 4.32Å; F217-V237 PolarHBondContact N-O 3.05Å; F217-V237 PolarHBondContact O-N 2.98Å; F217-R239 HydrophobicContact CE2-CB 3.99Å; F217-R239 HydrophobicContact CE2-CG 4.21Å; F217-F244 HydrophobicContact CB-CZ 4.44Å; F217-F244 HydrophobicContact CD1-CE1 4.3Å; F217-F244 AromaticContact CD1-CZ 3.73Å; F217-F244 HydrophobicContact CD1-CZ 3.73Å; F217-F244 AromaticContact CD2-CE1 3.53Å; F217-F244 HydrophobicContact CD2-CE1 3.53Å; F217-F244 AromaticContact CD2-CZ 3.78Å; F217-F244 HydrophobicContact CD2-CZ 3.78Å; F217-F244 HydrophobicContact CE1-CE1 4.28Å; F217-F244 AromaticContact CE1-CZ 3.86Å; F217-F244 HydrophobicContact CE1-CZ 3.86Å; F217-F244 AromaticContact CE2-CE1 3.52Å; F217-F244 HydrophobicContact CE2-CE1 3.52Å; F217-F244 AromaticContact CE2-CZ 3.93Å; F217-F244 HydrophobicContact CE2-CZ 3.93Å; F217-F244 AromaticContact CG-CE1 3.97Å; F217-F244 HydrophobicContact CG-CE1 3.97Å; F217-F244 AromaticContact CG-CZ 3.71Å; F217-F244 HydrophobicContact CG-CZ 3.71Å; F217-F244 AromaticContact CZ-CE1 3.91Å; F217-F244 HydrophobicContact CZ-CE1 3.91Å; F217-F244 AromaticContact CZ-CZ 3.96Å; F217-F244 HydrophobicContact CZ-CZ 3.96Å; F217-I246 HydrophobicContact CE1-CD1 4.38Å; F217-I246 HydrophobicContact CE2-CD1 4.26Å; F217-I246 HydrophobicContact CZ-CD1 3.61Å; F217-I246 HydrophobicContact CZ-CG1 4.41Å; F217-L263 HydrophobicContact CD1-CD1 3.87Å; F217-L263 HydrophobicContact CE1-CD1 4.21Å; F217-L263 HydrophobicContact CE1-CD2 4.17Å
218	L	98.9	Very high	98.3	Very high	1 Å²	1	29 Å²	29	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	95.4	170.3	-62.9	-172.6	0	0	0	108.7	I146 L149 F150 S173 C175 F235 L236 L276	I146-L218 HydrophobicContact CD1-CD1 3.77Å; I146-L218 HydrophobicContact CD1-CG 4.05Å; I146-L218 HydrophobicContact CG2-CD1 4.48Å; L149-L218 HydrophobicContact CB-CD1 3.91Å; L149-L218 HydrophobicContact CD1-CD1 3.55Å; L149-L218 HydrophobicContact CG-CD1 4.38Å; F150-L218 HydrophobicContact CE2-CD2 3.92Å; F150-L218 HydrophobicContact CZ-CD2 4.04Å; S173-L218 PolarHBondContact O-N 3.09Å; C175-L218 WeakPolarHBondContact CA-O 3.25Å; C175-L218 WeakPolarHBondContact CB-O 3.02Å; C175-L218 PolarHBondContact N-O 3.32Å; L218-F235 WeakPolarHBondContact CA-O 3.28Å; L218-L236 HydrophobicContact CD2-CD2 3.15Å; L218-L276 HydrophobicContact CD1-CD2 4.35Å; L218-L276 HydrophobicContact CD2-CD2 4.01Å
219	V	98.9	Very high	98.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.5	-171.5	-176.9	0	0	0	0	111.3	C175 F217 C234 F235 V237 F265	C175-V219 HydrophobicContact CB-CB 4.46Å; C175-V219 HydrophobicContact CB-CG2 4.03Å; F217-V219 HydrophobicContact CB-CG2 3.87Å; F217-V219 PolarHBondContact O-N 2.6Å; V219-C234 WeakPolarHBondContact O-CA 3.36Å; V219-F235 PolarHBondContact N-O 3.07Å; V219-F235 PolarHBondContact O-N 3.24Å; V219-V237 HydrophobicContact CB-CG2 3.98Å; V219-V237 HydrophobicContact CG2-CB 4.01Å; V219-V237 HydrophobicContact CG2-CG2 3.61Å; V219-F265 HydrophobicContact CB-CE1 4.47Å; V219-F265 HydrophobicContact CB-CZ 4.44Å; V219-F265 HydrophobicContact CG1-CE1 3.95Å; V219-F265 HydrophobicContact CG1-CE2 4.41Å; V219-F265 HydrophobicContact CG1-CZ 3.76Å; V219-F265 HydrophobicContact CG2-CE1 3.78Å; V219-F265 HydrophobicContact CG2-CZ 3.75Å
220	F	98.9	Very high	98.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	111.8	174.1	-65.7	-92.8	0	0	0	109.9	F174 C175 L176 L188 K205 I232 T233 C234 G282 A286	F174-F220 AromaticContact CD2-CE2 3.67Å; F174-F220 HydrophobicContact CD2-CE2 3.67Å; F174-F220 HydrophobicContact CD2-CZ 4.3Å; F174-F220 HydrophobicContact CE2-CD2 4.19Å; F174-F220 AromaticContact CE2-CE2 3.15Å; F174-F220 HydrophobicContact CE2-CE2 3.15Å; F174-F220 AromaticContact CE2-CZ 3.5Å; F174-F220 HydrophobicContact CE2-CZ 3.5Å; F174-F220 HydrophobicContact CZ-CD2 4.32Å; F174-F220 AromaticContact CZ-CE2 3.64Å; F174-F220 HydrophobicContact CZ-CE2 3.64Å; F174-F220 HydrophobicContact CZ-CZ 4.07Å; C175-F220 PolarHBondContact O-N 3.04Å; C175-F220 VanDerWaalsContact O-N 3.08Å; L176-F220 HydrophobicContact CB-CD2 4.16Å; L176-F220 HydrophobicContact CD1-CB 3.8Å; L176-F220 HydrophobicContact CD1-CD1 4.46Å; L176-F220 HydrophobicContact CD1-CD2 4.17Å; L176-F220 HydrophobicContact CD1-CG 3.87Å; L188-F220 HydrophobicContact CD2-CB 4.13Å; K205-F220 WeakPolarHBondContact CE-O 3.33Å; K205-F220 PolarHBondContact NZ-O 2.79Å; F220-I232 HydrophobicContact CB-CG2 4.15Å; F220-I232 HydrophobicContact CD1-CG2 4.13Å; F220-T233 WeakPolarHBondContact CA-O 3.24Å; F220-C234 HydrophobicContact CD1-CB 4.14Å; F220-C234 HydrophobicContact CE1-CB 3.73Å; F220-C234 HydrophobicContact CZ-CB 4.15Å; F220-G282 WeakPolarHBondContact CE1-O 3.17Å; F220-A286 HydrophobicContact CD1-CB 4.04Å; F220-A286 HydrophobicContact CE1-CB 3.62Å; F220-A286 HydrophobicContact CE2-CB 4.5Å; F220-A286 HydrophobicContact CZ-CB 3.87Å
221	A	98.9	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.1	179.3	0	0	0	0	0	110.5	T190 A192 I201 T233 F235	T190-A221 HydrophobicContact CG2-CB 3.85Å; T190-A221 CarbonylContact O-C 3.59Å; T190-A221 WeakPolarHBondContact O-CA 3.32Å; A192-A221 HydrophobicContact CB-CB 3.83Å; I201-A221 HydrophobicContact CG2-CB 4.28Å; A221-T233 PolarHBondContact N-O 2.91Å; A221-T233 PolarHBondContact O-N 3.39Å; A221-F235 HydrophobicContact CB-CD2 4.12Å; A221-F235 HydrophobicContact CB-CE2 4.04Å
222	N	98.8	Very high	98.3	Very high	9 Å²	9	39.8 Å²	39.8	5%	0.048	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.4	-177.9	-157.9	-28.7	0	0	0	110.8	L188 T190 R191 A192 D224 P225 G228 G231	L188-N222 HydrophobicContact CD1-CB 4.01Å; T190-N222 PolarHBondContact O-N 3.15Å; R191-N222 CarbonylContact C-O 3.59Å; R191-N222 VanDerWaalsContact CA-O 3.29Å; R191-N222 WeakPolarHBondContact CA-O 3.48Å; A192-N222 PolarHBondContact N-O 3.07Å; N222-D224 PolarHBondContact OD1-N 3.4Å; N222-D224 PolarHBondContact OD1-O 2.71Å; N222-P225 HydrophobicContact CB-CG 4.5Å; N222-G228 PolarHBondContact ND2-O 3.16Å; N222-G231 WeakPolarHBondContact OD1-CA 3.42Å; N222-G231 PolarHBondContact OD1-O 2.87Å
223	V	98.8	Very high	98.3	Very high	37 Å²	37	36.4 Å²	36.4	22%	0.224	20%	0.198	C	C	.	.	S	Bend	trans	-84.5	-16.9	176.6	-58.3	0	0	0	0	112.9	A192 Y199 G231 F235 V279	A192-V223 HydrophobicContact CB-CG1 3.93Å; A192-V223 WeakPolarHBondContact O-CA 3.46Å; Y199-V223 HydrophobicContact CD1-CG1 4.03Å; Y199-V223 HydrophobicContact CE1-CB 4.23Å; Y199-V223 HydrophobicContact CE1-CG1 3.62Å; V223-G231 VanDerWaalsContact CG2-O 3.26Å; V223-G231 WeakPolarHBondContact CG2-O 3.5Å; V223-G231 PolarHBondContact N-O 3.29Å; V223-F235 HydrophobicContact CG1-CE2 4.12Å; V223-F235 HydrophobicContact CG1-CZ 3.66Å; V223-V279 HydrophobicContact CG2-CG1 3.57Å
224	D	98.1	Very high	98.4	Very high	53 Å²	53	33.9 Å²	33.9	28%	0.283	19%	0.187	S	C	.	.			trans	-148.1	85.7	178.3	177.7	11.7	0	0	0	109.8	N222 T226 S227	N222-D224 PolarHBondContact OD1-N 3.4Å; N222-D224 PolarHBondContact OD1-O 2.71Å; D224-T226 PolarHBondContact O-N 2.67Å; D224-T226 VanDerWaalsContact O-N 3.09Å; D224-T226 WeakPolarHBondContact OD1-CB 3.44Å; D224-T226 PolarHBondContact OD1-N 2.93Å; D224-T226 PolarHBondContact OD1-OG1 3.26Å; D224-S227 PolarHBondContact O-N 3.4Å; D224-S227 PolarHBondContact OD1-N 3.42Å; D224-S227 WeakPolarHBondContact OD2-CB 3.35Å; D224-S227 PolarHBondContact OD2-OG 2.93Å
225	P	97.3	Very high	98.4	Very high	84 Å²	84	33.9 Å²	33.9	55%	0.545	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-56.9	-24.3	177.7	-26.9	35.9	0	0	0	113.9	N222 S227 G228	N222-P225 HydrophobicContact CB-CG 4.5Å; P225-S227 VanDerWaalsContact C-N 3.3Å; P225-S227 PolarHBondContact O-N 3.45Å; P225-G228 PolarHBondContact O-N 3.36Å; P225-G228 VanDerWaalsContact O-N 3.13Å
226	T	97.8	Very high	98.4	Very high	131 Å²	131	31.7 Å²	31.7	80%	0.804	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-71.9	-26.4	179.2	75	0	0	0	0	112.3	D224 G228	D224-T226 PolarHBondContact O-N 2.67Å; D224-T226 VanDerWaalsContact O-N 3.09Å; D224-T226 WeakPolarHBondContact OD1-CB 3.44Å; D224-T226 PolarHBondContact OD1-N 2.93Å; D224-T226 PolarHBondContact OD1-OG1 3.26Å; T226-G228 PolarHBondContact O-N 3.5Å
227	S	96.9	Very high	98.4	Very high	58 Å²	58	31.6 Å²	31.6	41%	0.406	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-82	4.8	171.2	-73.2	0	0	0	0	113.6	D224 P225 Y229 R230	D224-S227 PolarHBondContact O-N 3.4Å; D224-S227 PolarHBondContact OD1-N 3.42Å; D224-S227 WeakPolarHBondContact OD2-CB 3.35Å; D224-S227 PolarHBondContact OD2-OG 2.93Å; P225-S227 VanDerWaalsContact C-N 3.3Å; P225-S227 PolarHBondContact O-N 3.45Å; S227-Y229 PolarHBondContact O-N 3.33Å; S227-R230 WeakPolarHBondContact O-CB 3.29Å; S227-R230 PolarHBondContact O-N 3.2Å
228	G	97.3	Very high	98.4	Very high	33 Å²	33	34.7 Å²	34.7	34%	0.34	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	57.3	-133	-178.8	0	0	0	0	0	112	N222 P225 T226 R230 G231	N222-G228 PolarHBondContact ND2-O 3.16Å; P225-G228 PolarHBondContact O-N 3.36Å; P225-G228 VanDerWaalsContact O-N 3.13Å; T226-G228 PolarHBondContact O-N 3.5Å; G228-R230 PolarHBondContact O-N 3.39Å; G228-R230 VanDerWaalsContact O-N 3.13Å; G228-G231 PolarHBondContact O-N 3.13Å; G228-G231 VanDerWaalsContact O-N 3.15Å
229	Y	97.8	Very high	98.4	Very high	96 Å²	96	38 Å²	38	38%	0.376	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-62.2	-21.1	-178.7	72.1	-90.6	0	0	0	113.8	S227 G231 I232 Y283	S227-Y229 PolarHBondContact O-N 3.33Å; Y229-G231 VanDerWaalsContact C-N 3.25Å; Y229-G231 PolarHBondContact O-N 2.76Å; Y229-I232 WeakPolarHBondContact O-CB 3.48Å; Y229-I232 WeakPolarHBondContact O-CG1 3.31Å; Y229-I232 PolarHBondContact O-N 2.87Å; Y229-Y283 AromaticContact CD2-CD1 3.83Å; Y229-Y283 HydrophobicContact CD2-CD1 3.83Å; Y229-Y283 AromaticContact CD2-CD2 3.61Å; Y229-Y283 HydrophobicContact CD2-CD2 3.61Å; Y229-Y283 AromaticContact CD2-CE1 3.87Å; Y229-Y283 HydrophobicContact CD2-CE1 3.87Å; Y229-Y283 AromaticContact CD2-CE2 3.67Å; Y229-Y283 HydrophobicContact CD2-CE2 3.67Å; Y229-Y283 AromaticContact CD2-CG 3.68Å; Y229-Y283 HydrophobicContact CD2-CG 3.68Å; Y229-Y283 AromaticContact CD2-CZ 3.77Å; Y229-Y283 HydrophobicContact CE2-CD1 4.41Å; Y229-Y283 AromaticContact CE2-CD2 3.93Å; Y229-Y283 HydrophobicContact CE2-CD2 3.93Å; Y229-Y283 HydrophobicContact CE2-CE1 4.01Å; Y229-Y283 AromaticContact CE2-CE2 3.48Å; Y229-Y283 HydrophobicContact CE2-CE2 3.48Å; Y229-Y283 VanDerWaalsContact CE2-CE2 3.48Å; Y229-Y283 HydrophobicContact CE2-CG 4.36Å; Y229-Y283 AromaticContact CE2-CZ 3.5Å; Y229-Y283 WeakPolarHBondContact O-CD1 3.34Å
230	R	98.3	Very high	98.3	Very high	157 Å²	157	45.2 Å²	45.2	59%	0.592	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-77.9	-7.9	179.6	-60.3	-179	-177.3	176.4	0	113.5	S227 G228 G280 Y283	S227-R230 WeakPolarHBondContact O-CB 3.29Å; S227-R230 PolarHBondContact O-N 3.2Å; G228-R230 PolarHBondContact O-N 3.39Å; G228-R230 VanDerWaalsContact O-N 3.13Å; R230-G280 CarbonylContact O-C 3.56Å; R230-G280 WeakPolarHBondContact O-CA 3.42Å; R230-Y283 HydrophobicContact CG-CE1 4.35Å
231	G	98.4	Very high	98.3	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.021	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-89.2	-8.3	169	0	0	0	0	0	113.5	N222 V223 G228 Y229 T233	N222-G231 WeakPolarHBondContact OD1-CA 3.42Å; N222-G231 PolarHBondContact OD1-O 2.87Å; V223-G231 VanDerWaalsContact CG2-O 3.26Å; V223-G231 WeakPolarHBondContact CG2-O 3.5Å; V223-G231 PolarHBondContact N-O 3.29Å; G228-G231 PolarHBondContact O-N 3.13Å; G228-G231 VanDerWaalsContact O-N 3.15Å; Y229-G231 VanDerWaalsContact C-N 3.25Å; Y229-G231 PolarHBondContact O-N 2.76Å; G231-T233 PolarHBondContact O-N 3.45Å; G231-T233 PolarHBondContact O-OG1 3.44Å
232	I	98.9	Very high	98.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	128.8	-178.9	-62	170.8	0	0	0	110	F186 L188 F220 Y229 G280 H281 G282	F186-I232 HydrophobicContact CB-CD1 3.87Å; F186-I232 HydrophobicContact CD1-CD1 3.92Å; F186-I232 HydrophobicContact CG-CD1 4.17Å; L188-I232 HydrophobicContact CD1-CG1 4.35Å; L188-I232 HydrophobicContact CD2-CD1 3.72Å; L188-I232 HydrophobicContact CD2-CG1 4.01Å; L188-I232 HydrophobicContact CD2-CG2 3.99Å; L188-I232 HydrophobicContact CG-CD1 4.03Å; L188-I232 HydrophobicContact CG-CG1 4.21Å; F220-I232 HydrophobicContact CB-CG2 4.15Å; F220-I232 HydrophobicContact CD1-CG2 4.13Å; Y229-I232 WeakPolarHBondContact O-CB 3.48Å; Y229-I232 WeakPolarHBondContact O-CG1 3.31Å; Y229-I232 PolarHBondContact O-N 2.87Å; I232-G280 CarbonylContact O-C 3.55Å; I232-G280 VanDerWaalsContact O-CA 3.28Å; I232-G280 WeakPolarHBondContact O-CA 3.34Å; I232-H281 PolarHBondContact O-N 3.24Å; I232-G282 VanDerWaalsContact O-CA 3.29Å; I232-G282 WeakPolarHBondContact O-CA 3.39Å; I232-G282 PolarHBondContact O-N 3.46Å
233	T	98.9	Very high	98.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.9	-178.7	-57.7	0	0	0	0	109.7	F220 A221 G231 F235 V275 V279 G280	F220-T233 WeakPolarHBondContact CA-O 3.24Å; A221-T233 PolarHBondContact N-O 2.91Å; A221-T233 PolarHBondContact O-N 3.39Å; G231-T233 PolarHBondContact O-N 3.45Å; G231-T233 PolarHBondContact O-OG1 3.44Å; T233-F235 HydrophobicContact CG2-CD2 4.36Å; T233-F235 HydrophobicContact CG2-CE1 4.3Å; T233-F235 HydrophobicContact CG2-CE2 3.76Å; T233-F235 HydrophobicContact CG2-CZ 3.72Å; T233-V275 HydrophobicContact CG2-CG1 3.73Å; T233-V275 HydrophobicContact CG2-CG2 4.15Å; T233-V279 HydrophobicContact CG2-CG2 4.42Å; T233-G280 PolarHBondContact OG1-N 2.72Å
234	C	98.9	Very high	98.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.6	176.4	-172.8	0	0	0	0	109.8	V219 F220 L276	V219-C234 WeakPolarHBondContact O-CA 3.36Å; F220-C234 HydrophobicContact CD1-CB 4.14Å; F220-C234 HydrophobicContact CE1-CB 3.73Å; F220-C234 HydrophobicContact CZ-CB 4.15Å; C234-L276 HydrophobicContact CB-CB 4.23Å; C234-L276 PolarHBondContact O-N 3.07Å
235	F	98.9	Very high	98.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.3	-179.8	-64.3	-88.5	0	0	0	111.1	A192 Y199 I201 F217 L218 V219 A221 V223 T233 V237 V270 S274 V275	A192-F235 HydrophobicContact CB-CD2 4.46Å; A192-F235 HydrophobicContact CB-CE1 4.48Å; A192-F235 HydrophobicContact CB-CE2 3.56Å; A192-F235 HydrophobicContact CB-CZ 3.57Å; Y199-F235 HydrophobicContact CD1-CE1 4.15Å; Y199-F235 HydrophobicContact CD1-CZ 4.03Å; Y199-F235 AromaticContact CD2-CE1 3.74Å; Y199-F235 HydrophobicContact CD2-CE1 3.74Å; Y199-F235 HydrophobicContact CD2-CZ 4.41Å; Y199-F235 HydrophobicContact CE1-CZ 4.38Å; Y199-F235 HydrophobicContact CE2-CE1 4.23Å; Y199-F235 AromaticContact CG-CE1 3.69Å; Y199-F235 HydrophobicContact CG-CE1 3.69Å; Y199-F235 HydrophobicContact CG-CZ 4.04Å; I201-F235 HydrophobicContact CD1-CB 4.02Å; I201-F235 HydrophobicContact CD1-CD1 4.44Å; I201-F235 HydrophobicContact CD1-CD2 4.17Å; I201-F235 HydrophobicContact CD1-CG 3.96Å; F217-F235 VanDerWaalsContact O-O 3.12Å; L218-F235 WeakPolarHBondContact CA-O 3.28Å; V219-F235 PolarHBondContact N-O 3.07Å; V219-F235 PolarHBondContact O-N 3.24Å; A221-F235 HydrophobicContact CB-CD2 4.12Å; A221-F235 HydrophobicContact CB-CE2 4.04Å; V223-F235 HydrophobicContact CG1-CE2 4.12Å; V223-F235 HydrophobicContact CG1-CZ 3.66Å; T233-F235 HydrophobicContact CG2-CD2 4.36Å; T233-F235 HydrophobicContact CG2-CE1 4.3Å; T233-F235 HydrophobicContact CG2-CE2 3.76Å; T233-F235 HydrophobicContact CG2-CZ 3.72Å; F235-V237 HydrophobicContact CB-CG2 4.35Å; F235-V270 HydrophobicContact CD1-CG2 3.86Å; F235-V270 HydrophobicContact CE1-CG2 4.42Å; F235-S274 CarbonylContact C-O 3.5Å; F235-S274 WeakPolarHBondContact CA-O 3.27Å; F235-V275 HydrophobicContact CD1-CG2 4Å; F235-V275 HydrophobicContact CE1-CG2 3.63Å; F235-V275 HydrophobicContact CZ-CG2 4.41Å
236	L	98.8	Very high	98.4	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	113	168.2	-54	-173.6	0	0	0	108.6	F150 Q158 Y162 I216 L218 S274 L276	F150-L236 HydrophobicContact CE1-CD1 3.77Å; F150-L236 HydrophobicContact CE1-CD2 3.68Å; F150-L236 HydrophobicContact CE1-CG 4.4Å; F150-L236 HydrophobicContact CE2-CD2 4.45Å; F150-L236 HydrophobicContact CZ-CD1 4.24Å; F150-L236 HydrophobicContact CZ-CD2 3.53Å; F150-L236 HydrophobicContact CZ-CG 4.5Å; Q158-L236 HydrophobicContact CG-CD1 4.2Å; Y162-L236 HydrophobicContact CD2-CD1 4.05Å; Y162-L236 HydrophobicContact CE2-CD1 3.49Å; Y162-L236 VanDerWaalsContact CE2-CD1 3.49Å; I216-L236 HydrophobicContact CD1-CB 4.17Å; L218-L236 HydrophobicContact CD2-CD2 3.15Å; L236-S274 WeakPolarHBondContact CG-O 3.24Å; L236-S274 PolarHBondContact N-O 2.83Å; L236-S274 WeakPolarHBondContact O-CB 3.33Å; L236-S274 PolarHBondContact O-OG 3.45Å; L236-L276 HydrophobicContact CD2-CB 4.03Å; L236-L276 HydrophobicContact CD2-CD2 4.27Å; L236-L276 HydrophobicContact CG-CB 4.41Å
237	V	98.8	Very high	98.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.7	178.4	-175.5	0	0	0	0	109.4	I201 F217 V219 F235 F244 V268 V270	I201-V237 HydrophobicContact CD1-CG2 4.1Å; F217-V237 HydrophobicContact CB-CB 4.32Å; F217-V237 PolarHBondContact N-O 3.05Å; F217-V237 PolarHBondContact O-N 2.98Å; V219-V237 HydrophobicContact CB-CG2 3.98Å; V219-V237 HydrophobicContact CG2-CB 4.01Å; V219-V237 HydrophobicContact CG2-CG2 3.61Å; F235-V237 HydrophobicContact CB-CG2 4.35Å; V237-F244 HydrophobicContact CG1-CD1 4.36Å; V237-F244 HydrophobicContact CG1-CG 4.3Å; V237-V268 HydrophobicContact CG1-CG1 4.04Å; V237-V270 HydrophobicContact CG2-CG1 4.13Å
238	D	98.4	Very high	98.4	Very high	65 Å²	65	56.2 Å²	56.2	35%	0.348	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	146	175.4	-74.3	-47.8	0	0	0	111	D240 T241	D238-D240 PolarHBondContact O-N 3.31Å; D238-D240 VanDerWaalsContact O-N 3.14Å; D238-T241 WeakPolarHBondContact O-CB 3.33Å; D238-T241 PolarHBondContact O-N 3.04Å; D238-T241 VanDerWaalsContact O-N 3.12Å; D238-T241 PolarHBondContact O-OG1 3.48Å
239	R	98.4	Very high	98.3	Very high	71 Å²	71	56.7 Å²	56.7	27%	0.268	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-39.6	-176.6	-175	-175.1	-174	81.7	0.4	114.7	A211 E212 A214 D215 F217 T241 F244 I246	A211-R239 PolarHBondContact O-NH1 3.02Å; E212-R239 PolarHBondContact O-NH1 3.5Å; E212-R239 PolarHBondContact O-NH2 3.04Å; A214-R239 WeakPolarHBondContact O-CD 3.43Å; A214-R239 PolarHBondContact O-NH1 3.37Å; D215-R239 PolarHBondContact O-N 2.8Å; F217-R239 HydrophobicContact CE2-CB 3.99Å; F217-R239 HydrophobicContact CE2-CG 4.21Å; R239-T241 VanDerWaalsContact C-N 3.35Å; R239-F244 WeakPolarHBondContact O-CD1 3.29Å; R239-I246 HydrophobicContact CG-CD1 4.2Å; R239-I246 VanDerWaalsContact NH1-CD1 3.28Å
240	D	97.7	Very high	98.4	Very high	151 Å²	151	55.1 Å²	55.1	81%	0.807	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	15.8	-172.3	-57.1	-43.6	0	0	0	112.8	D238 E242	D238-D240 PolarHBondContact O-N 3.31Å; D238-D240 VanDerWaalsContact O-N 3.14Å; D240-E242 PolarHBondContact O-N 3.46Å
241	T	98.6	Very high	98.4	Very high	33 Å²	33	54.1 Å²	54.1	20%	0.202	27%	0.272	C	S	.	.			trans	-63.8	132.4	176.8	-51.5	0	0	0	0	110.1	D238 R239 G243 F244 V268	D238-T241 WeakPolarHBondContact O-CB 3.33Å; D238-T241 PolarHBondContact O-N 3.04Å; D238-T241 VanDerWaalsContact O-N 3.12Å; D238-T241 PolarHBondContact O-OG1 3.48Å; R239-T241 VanDerWaalsContact C-N 3.35Å; T241-G243 PolarHBondContact O-N 2.83Å; T241-F244 VanDerWaalsContact O-CB 3.29Å; T241-F244 WeakPolarHBondContact O-CB 3.5Å; T241-F244 PolarHBondContact O-N 3.28Å; T241-F244 VanDerWaalsContact O-N 3.1Å; T241-V268 HydrophobicContact CG2-CG1 3.77Å
242	E	98.6	Very high	98.4	Very high	178 Å²	178	55.7 Å²	55.7	83%	0.832	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	136.8	178.9	-171.9	177.1	-177.7	0	0	111.7	D240 F244	D240-E242 PolarHBondContact O-N 3.46Å; E242-F244 VanDerWaalsContact C-N 3.26Å; E242-F244 PolarHBondContact O-N 3.48Å
243	G	98.4	Very high	98.4	Very high	14 Å²	14	60.7 Å²	60.7	14%	0.144	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-3	-177.1	0	0	0	0	0	115.2	T241 E266 V268	T241-G243 PolarHBondContact O-N 2.83Å; G243-E266 WeakPolarHBondContact CA-O 3.5Å; G243-E266 PolarHBondContact O-N 3.18Å; G243-V268 VanDerWaalsContact O-CG2 3.24Å; G243-V268 WeakPolarHBondContact O-CG2 3.42Å
244	F	98.8	Very high	98.4	Very high	13 Å²	13	61 Å²	61	6%	0.057	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.9	175.8	179.2	-126.2	0	0	0	110.1	F217 V237 R239 T241 E242 I246 L263 F265 V268	F217-F244 HydrophobicContact CB-CZ 4.44Å; F217-F244 HydrophobicContact CD1-CE1 4.3Å; F217-F244 AromaticContact CD1-CZ 3.73Å; F217-F244 HydrophobicContact CD1-CZ 3.73Å; F217-F244 AromaticContact CD2-CE1 3.53Å; F217-F244 HydrophobicContact CD2-CE1 3.53Å; F217-F244 AromaticContact CD2-CZ 3.78Å; F217-F244 HydrophobicContact CD2-CZ 3.78Å; F217-F244 HydrophobicContact CE1-CE1 4.28Å; F217-F244 AromaticContact CE1-CZ 3.86Å; F217-F244 HydrophobicContact CE1-CZ 3.86Å; F217-F244 AromaticContact CE2-CE1 3.52Å; F217-F244 HydrophobicContact CE2-CE1 3.52Å; F217-F244 AromaticContact CE2-CZ 3.93Å; F217-F244 HydrophobicContact CE2-CZ 3.93Å; F217-F244 AromaticContact CG-CE1 3.97Å; F217-F244 HydrophobicContact CG-CE1 3.97Å; F217-F244 AromaticContact CG-CZ 3.71Å; F217-F244 HydrophobicContact CG-CZ 3.71Å; F217-F244 AromaticContact CZ-CE1 3.91Å; F217-F244 HydrophobicContact CZ-CE1 3.91Å; F217-F244 AromaticContact CZ-CZ 3.96Å; F217-F244 HydrophobicContact CZ-CZ 3.96Å; V237-F244 HydrophobicContact CG1-CD1 4.36Å; V237-F244 HydrophobicContact CG1-CG 4.3Å; R239-F244 WeakPolarHBondContact O-CD1 3.29Å; T241-F244 VanDerWaalsContact O-CB 3.29Å; T241-F244 WeakPolarHBondContact O-CB 3.5Å; T241-F244 PolarHBondContact O-N 3.28Å; T241-F244 VanDerWaalsContact O-N 3.1Å; E242-F244 VanDerWaalsContact C-N 3.26Å; E242-F244 PolarHBondContact O-N 3.48Å; F244-I246 HydrophobicContact CE1-CD1 4.2Å; F244-I246 HydrophobicContact CE1-CG1 4.08Å; F244-I246 HydrophobicContact CZ-CG1 4.1Å; F244-L263 HydrophobicContact CE2-CB 3.99Å; F244-L263 HydrophobicContact CE2-CD1 3.94Å; F244-L263 HydrophobicContact CE2-CD2 4.18Å; F244-L263 HydrophobicContact CE2-CG 4.27Å; F244-L263 HydrophobicContact CZ-CD1 3.99Å; F244-L263 HydrophobicContact CZ-CD2 3.98Å; F244-L263 HydrophobicContact CZ-CG 4.43Å; F244-F265 AromaticContact CD2-CD1 3.67Å; F244-F265 HydrophobicContact CD2-CD1 3.67Å; F244-F265 AromaticContact CD2-CE1 3.38Å; F244-F265 HydrophobicContact CD2-CE1 3.38Å; F244-F265 HydrophobicContact CD2-CG 4.41Å; F244-F265 AromaticContact CD2-CZ 3.92Å; F244-F265 HydrophobicContact CD2-CZ 3.92Å; F244-F265 HydrophobicContact CE2-CD1 4.15Å; F244-F265 AromaticContact CE2-CE1 3.41Å; F244-F265 HydrophobicContact CE2-CE1 3.41Å; F244-F265 VanDerWaalsContact CE2-CE1 3.41Å; F244-F265 HydrophobicContact CE2-CE2 4.31Å; F244-F265 AromaticContact CE2-CZ 3.51Å; F244-F265 HydrophobicContact CE2-CZ 3.51Å; F244-F265 HydrophobicContact CG-CE1 4.46Å; F244-V268 HydrophobicContact CB-CG2 3.81Å
245	H	98.6	Very high	98.4	Very high	92 Å²	92	61.1 Å²	61.1	43%	0.426	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.6	-176.6	-54.3	-64.8	0	0	0	112	L263 T264	H245-L263 WeakPolarHBondContact O-CA 3.38Å; H245-T264 WeakPolarHBondContact CB-OG1 3.28Å; H245-T264 PolarHBondContact N-O 2.89Å; H245-T264 PolarHBondContact O-N 3.28Å
246	I	98.8	Very high	98.4	Very high	49 Å²	49	63.3 Å²	63.3	25%	0.251	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.8	177.9	-53.4	172.6	0	0	0	107.2	A211 F217 R239 F244 C261 L263	A211-I246 HydrophobicContact CB-CG2 4.15Å; A211-I246 WeakPolarHBondContact O-CD1 3.37Å; F217-I246 HydrophobicContact CE1-CD1 4.38Å; F217-I246 HydrophobicContact CE2-CD1 4.26Å; F217-I246 HydrophobicContact CZ-CD1 3.61Å; F217-I246 HydrophobicContact CZ-CG1 4.41Å; R239-I246 HydrophobicContact CG-CD1 4.2Å; R239-I246 VanDerWaalsContact NH1-CD1 3.28Å; F244-I246 HydrophobicContact CE1-CD1 4.2Å; F244-I246 HydrophobicContact CE1-CG1 4.08Å; F244-I246 HydrophobicContact CZ-CG1 4.1Å; I246-C261 HydrophobicContact CG2-CB 3.81Å; I246-L263 HydrophobicContact CB-CD2 4.26Å; I246-L263 HydrophobicContact CG1-CD2 3.89Å; I246-L263 HydrophobicContact CG2-CD2 4.06Å
247	A	97.6	Very high	98.4	Very high	39 Å²	39	63.2 Å²	63.2	32%	0.322	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	172	178.8	0	0	0	0	0	111.6	Q262	A247-Q262 HydrophobicContact CB-CB 3.86Å; A247-Q262 WeakPolarHBondContact CB-O 3.32Å; A247-Q262 PolarHBondContact N-O 3.17Å
248	K	96.6	Very high	98.3	Very high	185 Å²	185	63.2 Å²	63.2	80%	0.804	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.6	151.1	172.1	70.7	179	-177.5	179.8	0	111.1
249	K	97	Very high	98.3	Very high	43 Å²	43	60.2 Å²	60.2	19%	0.187	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	142.7	177.8	178.6	174	158.8	159.8	0	112.4	S87 R256 A257 T260	S87-K249 VanDerWaalsContact O-CE 3.26Å; S87-K249 WeakPolarHBondContact O-CE 3.23Å; S87-K249 PolarHBondContact O-NZ 2.92Å; K249-R256 WeakPolarHBondContact CE-O 3.34Å; K249-R256 PolarHBondContact NZ-O 2.91Å; K249-A257 PolarHBondContact NZ-O 2.85Å; K249-T260 WeakPolarHBondContact CA-O 3.44Å
250	E	98.4	Very high	98.4	Very high	62 Å²	62	57.2 Å²	57.2	29%	0.29	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.8	138.8	173.4	-64.9	-60.3	159.9	0	0	112.3	W207 K252 T260	W207-E250 HydrophobicContact CE3-CG 4.27Å; W207-E250 HydrophobicContact CZ3-CG 3.99Å; E250-K252 HydrophobicContact CB-CG 3.98Å; E250-K252 PolarHBondContact O-N 3.36Å; E250-T260 HydrophobicContact CG-CG2 4.34Å; E250-T260 WeakPolarHBondContact CG-O 3.32Å; E250-T260 PolarHBondContact N-O 2.72Å
251	N	98.6	Very high	98.4	Very high	136 Å²	136	50.1 Å²	50.1	73%	0.727	25%	0.25	S	S	*	.			trans	-87.1	100.1	171.1	-175.5	17.2	0	0	0	109.9	R256	N251-R256 PolarHBondContact OD1-NH1 2.94Å
252	K	98.8	Very high	98.4	Very high	35 Å²	35	51.6 Å²	51.6	15%	0.152	26%	0.255	C	S	.	.			trans	-99.9	157.6	-169.9	-56.4	-167	-60.8	-76.4	0	113.2	E250 G254 I255 R256 S258 T260	E250-K252 HydrophobicContact CB-CG 3.98Å; E250-K252 PolarHBondContact O-N 3.36Å; K252-G254 WeakPolarHBondContact CB-O 3.16Å; K252-I255 VanDerWaalsContact CE-O 3.27Å; K252-I255 WeakPolarHBondContact CE-O 3.47Å; K252-I255 PolarHBondContact NZ-O 2.9Å; K252-R256 WeakPolarHBondContact O-CG 3.49Å; K252-R256 PolarHBondContact O-NH1 3.2Å; K252-S258 PolarHBondContact NZ-O 3.27Å; K252-T260 WeakPolarHBondContact CD-OG1 3.44Å; K252-T260 WeakPolarHBondContact CE-OG1 3.5Å; K252-T260 PolarHBondContact NZ-OG1 3.08Å
253	M	98.8	Very high	98.4	Very high	105 Å²	105	43.1 Å²	43.1	52%	0.517	22%	0.215	S	C	.	.	S	Bend	trans	-60.8	-55.4	171.5	174.7	178.6	177.4	0	0	112.1	F404 R405 K408	M253-F404 HydrophobicContact CE-CE1 4.3Å; M253-R405 HydrophobicContact CE-CG 4.38Å; M253-R405 HydrophobicContact CG-CB 4.27Å; M253-R405 HydrophobicContact CG-CG 4.27Å; M253-R405 WeakPolarHBondContact O-CD 3.49Å; M253-R405 PolarHBondContact O-NH1 2.88Å; M253-R405 VanDerWaalsContact O-NH1 3.09Å; M253-K408 HydrophobicContact CE-CB 4.14Å; M253-K408 HydrophobicContact CE-CG 4.28Å; M253-K408 HydrophobicContact SD-CB 4.26Å; M253-K408 HydrophobicContact SD-CG 4.19Å
254	G	98.6	Very high	98.4	Very high	6 Å²	6	44.4 Å²	44.4	6%	0.062	22%	0.22	C	C	.	.	S	Bend	trans	-132.7	-172.6	179	0	0	0	0	0	110.8	K252 R256 D406	K252-G254 WeakPolarHBondContact CB-O 3.16Å; G254-R256 PolarHBondContact O-N 3.45Å; G254-R256 VanDerWaalsContact O-N 3.12Å; G254-D406 VanDerWaalsContact CA-OD1 3.31Å; G254-D406 WeakPolarHBondContact CA-OD1 3.31Å
255	I	98.6	Very high	98.5	Very high	4 Å²	4	44 Å²	44	2%	0.021	22%	0.218	C	C	.	.			trans	44	42.3	-173.1	56.6	159	0	0	0	111.7	A133 S134 L137 K252 A257 S258 D406 I409	A133-I255 HydrophobicContact CB-CG2 4.33Å; S134-I255 VanDerWaalsContact OG-C 3.25Å; S134-I255 VanDerWaalsContact OG-CA 3.27Å; S134-I255 WeakPolarHBondContact OG-CA 3.49Å; L137-I255 HydrophobicContact CD2-CD1 3.89Å; K252-I255 VanDerWaalsContact CE-O 3.27Å; K252-I255 WeakPolarHBondContact CE-O 3.47Å; K252-I255 PolarHBondContact NZ-O 2.9Å; I255-A257 VanDerWaalsContact C-N 3.35Å; I255-A257 PolarHBondContact O-N 2.67Å; I255-S258 PolarHBondContact O-N 2.98Å; I255-D406 HydrophobicContact CG2-CB 4.18Å; I255-D406 PolarHBondContact N-OD1 3.46Å; I255-I409 HydrophobicContact CD1-CB 4.2Å; I255-I409 HydrophobicContact CD1-CG1 3.82Å; I255-I409 HydrophobicContact CD1-CG2 3.86Å; I255-I409 HydrophobicContact CG1-CB 4.44Å; I255-I409 HydrophobicContact CG1-CG1 4.49Å; I255-I409 HydrophobicContact CG1-CG2 4.12Å; I255-I409 HydrophobicContact CG2-CG2 4.01Å
256	R	98.9	Very high	98.5	Very high	46 Å²	46	45.2 Å²	45.2	17%	0.174	22%	0.224	C	C	.	.			trans	-69.6	-31.2	-164.8	-74.9	172	57.5	81.3	-2.6	112.8	D84 E85 S87 K249 N251 K252 G254	D84-R256 WeakPolarHBondContact O-CB 3.28Å; D84-R256 PolarHBondContact O-NE 2.94Å; D84-R256 WeakPolarHBondContact OD1-CD 3.29Å; E85-R256 PolarHBondContact O-NH2 3.38Å; S87-R256 CarbonylContact C-O 3.59Å; S87-R256 VanDerWaalsContact CA-O 3.29Å; S87-R256 WeakPolarHBondContact CA-O 3.43Å; S87-R256 WeakPolarHBondContact CB-O 3.48Å; S87-R256 PolarHBondContact OG-NE 3.13Å; S87-R256 PolarHBondContact OG-NH1 2.87Å; S87-R256 PolarHBondContact OG-NH2 3.43Å; K249-R256 WeakPolarHBondContact CE-O 3.34Å; K249-R256 PolarHBondContact NZ-O 2.91Å; N251-R256 PolarHBondContact OD1-NH1 2.94Å; K252-R256 WeakPolarHBondContact O-CG 3.49Å; K252-R256 PolarHBondContact O-NH1 3.2Å; G254-R256 PolarHBondContact O-N 3.45Å; G254-R256 VanDerWaalsContact O-N 3.12Å
257	A	98.8	Very high	98.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-69.5	-38.2	179.6	0	0	0	0	0	111.8	M83 M89 K249 I255 S259	M83-A257 HydrophobicContact CB-CB 3.8Å; M89-A257 HydrophobicContact CE-CB 4.01Å; M89-A257 PolarHBondContact N-O 2.87Å; K249-A257 PolarHBondContact NZ-O 2.85Å; I255-A257 VanDerWaalsContact C-N 3.35Å; I255-A257 PolarHBondContact O-N 2.67Å; A257-S259 PolarHBondContact O-N 2.81Å
258	S	98.4	Very high	98.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.007	23%	0.225	C	C	.	.	S	Bend	trans	-63.1	128.1	172.7	179.7	0	0	0	0	109.9	K252 I255	K252-S258 PolarHBondContact NZ-O 3.27Å; I255-S258 PolarHBondContact O-N 2.98Å
259	S	98.4	Very high	98.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.014	21%	0.21	C	C	.	.			trans	-73.1	145.2	176.8	59.7	0	0	0	0	110.5	S209 N210 A211 E212 A257	S209-S259 CarbonylContact C-O 3.15Å; S209-S259 VanDerWaalsContact CA-O 3.22Å; S209-S259 WeakPolarHBondContact CA-O 3.42Å; N210-S259 VanDerWaalsContact C-OG 3.23Å; N210-S259 WeakPolarHBondContact CA-OG 3.31Å; N210-S259 PolarHBondContact N-O 3.04Å; A211-S259 PolarHBondContact N-OG 2.85Å; E212-S259 WeakPolarHBondContact CB-OG 3.38Å; E212-S259 PolarHBondContact N-OG 3.25Å; E212-S259 WeakPolarHBondContact OE2-CB 3.34Å; A257-S259 PolarHBondContact O-N 2.81Å
260	T	98.8	Very high	98.7	Very high	8 Å²	8	41 Å²	41	5%	0.049	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	117	174.6	-50.1	0	0	0	0	106.1	W207 I208 K249 E250 K252	W207-T260 HydrophobicContact CB-CG2 4.34Å; W207-T260 HydrophobicContact CE3-CG2 4.44Å; I208-T260 WeakPolarHBondContact O-CA 3.09Å; K249-T260 WeakPolarHBondContact CA-O 3.44Å; E250-T260 HydrophobicContact CG-CG2 4.34Å; E250-T260 WeakPolarHBondContact CG-O 3.32Å; E250-T260 PolarHBondContact N-O 2.72Å; K252-T260 WeakPolarHBondContact CD-OG1 3.44Å; K252-T260 WeakPolarHBondContact CE-OG1 3.5Å; K252-T260 PolarHBondContact NZ-OG1 3.08Å
261	C	98.8	Very high	98.7	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.6	-173.9	-54.2	0	0	0	0	111.3	I208 A211 I246	I208-C261 PolarHBondContact N-O 3.25Å; I208-C261 PolarHBondContact O-N 3.29Å; A211-C261 HydrophobicContact CB-CB 3.81Å; I246-C261 HydrophobicContact CG2-CB 3.81Å
262	Q	98.6	Very high	98.6	Very high	64 Å²	64	37.8 Å²	37.8	30%	0.299	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	146.6	159.9	-172.8	-177	1.3	0	0	109.3	K205 M206 A247	K205-Q262 CarbonylContact O-C 3.56Å; K205-Q262 WeakPolarHBondContact O-CA 3.28Å; K205-Q262 VanDerWaalsContact O-CG 3.25Å; K205-Q262 WeakPolarHBondContact O-CG 3.29Å; M206-Q262 HydrophobicContact CE-CB 4.48Å; M206-Q262 HydrophobicContact CE-CG 4.02Å; M206-Q262 HydrophobicContact SD-CB 3.87Å; M206-Q262 HydrophobicContact SD-CG 3.94Å; A247-Q262 HydrophobicContact CB-CB 3.86Å; A247-Q262 WeakPolarHBondContact CB-O 3.32Å; A247-Q262 PolarHBondContact N-O 3.17Å
263	L	98.9	Very high	98.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.9	171.8	-50.8	-179.6	0	0	0	109.7	C175 S204 K205 I208 A211 F217 F244 H245 I246 F265	C175-L263 HydrophobicContact CB-CD1 4.19Å; S204-L263 CarbonylContact C-O 3.59Å; S204-L263 WeakPolarHBondContact CA-O 3.23Å; S204-L263 VanDerWaalsContact CB-O 3.25Å; S204-L263 WeakPolarHBondContact CB-O 3.28Å; K205-L263 HydrophobicContact CB-CB 4.12Å; K205-L263 HydrophobicContact CB-CD1 4.22Å; K205-L263 HydrophobicContact CB-CG 4.35Å; K205-L263 PolarHBondContact N-O 3.43Å; K205-L263 PolarHBondContact O-N 2.94Å; I208-L263 HydrophobicContact CB-CD1 4.14Å; I208-L263 HydrophobicContact CB-CG 4.19Å; I208-L263 HydrophobicContact CG1-CD1 3.72Å; I208-L263 HydrophobicContact CG1-CG 3.82Å; I208-L263 HydrophobicContact CG2-CD1 4.07Å; A211-L263 HydrophobicContact CB-CD2 4.11Å; F217-L263 HydrophobicContact CD1-CD1 3.87Å; F217-L263 HydrophobicContact CE1-CD1 4.21Å; F217-L263 HydrophobicContact CE1-CD2 4.17Å; F244-L263 HydrophobicContact CE2-CB 3.99Å; F244-L263 HydrophobicContact CE2-CD1 3.94Å; F244-L263 HydrophobicContact CE2-CD2 4.18Å; F244-L263 HydrophobicContact CE2-CG 4.27Å; F244-L263 HydrophobicContact CZ-CD1 3.99Å; F244-L263 HydrophobicContact CZ-CD2 3.98Å; F244-L263 HydrophobicContact CZ-CG 4.43Å; H245-L263 WeakPolarHBondContact O-CA 3.38Å; I246-L263 HydrophobicContact CB-CD2 4.26Å; I246-L263 HydrophobicContact CG1-CD2 3.89Å; I246-L263 HydrophobicContact CG2-CD2 4.06Å; L263-F265 HydrophobicContact CB-CE2 3.82Å; L263-F265 HydrophobicContact CB-CZ 4.12Å; L263-F265 HydrophobicContact CD1-CE2 4.49Å; L263-F265 HydrophobicContact CD1-CZ 4.11Å
264	T	98.8	Very high	98.6	Very high	41 Å²	41	37 Å²	37	25%	0.252	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.8	168.5	58.4	0	0	0	0	110.5	H245	H245-T264 WeakPolarHBondContact CB-OG1 3.28Å; H245-T264 PolarHBondContact N-O 2.89Å; H245-T264 PolarHBondContact O-N 3.28Å
265	F	98.9	Very high	98.6	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	112.2	-179.5	-56	-98	0	0	0	107.2	I201 N202 G203 K205 V219 F244 L263 V268	I201-F265 HydrophobicContact CG2-CB 4.01Å; I201-F265 HydrophobicContact CG2-CD1 3.97Å; I201-F265 HydrophobicContact CG2-CG 4Å; N202-F265 WeakPolarHBondContact CA-O 3.49Å; G203-F265 PolarHBondContact N-O 2.71Å; G203-F265 VanDerWaalsContact N-O 3.09Å; G203-F265 PolarHBondContact O-N 3.22Å; K205-F265 HydrophobicContact CB-CE2 4.31Å; K205-F265 HydrophobicContact CG-CE2 3.71Å; K205-F265 HydrophobicContact CG-CZ 4.27Å; V219-F265 HydrophobicContact CB-CE1 4.47Å; V219-F265 HydrophobicContact CB-CZ 4.44Å; V219-F265 HydrophobicContact CG1-CE1 3.95Å; V219-F265 HydrophobicContact CG1-CE2 4.41Å; V219-F265 HydrophobicContact CG1-CZ 3.76Å; V219-F265 HydrophobicContact CG2-CE1 3.78Å; V219-F265 HydrophobicContact CG2-CZ 3.75Å; F244-F265 AromaticContact CD2-CD1 3.67Å; F244-F265 HydrophobicContact CD2-CD1 3.67Å; F244-F265 AromaticContact CD2-CE1 3.38Å; F244-F265 HydrophobicContact CD2-CE1 3.38Å; F244-F265 HydrophobicContact CD2-CG 4.41Å; F244-F265 AromaticContact CD2-CZ 3.92Å; F244-F265 HydrophobicContact CD2-CZ 3.92Å; F244-F265 HydrophobicContact CE2-CD1 4.15Å; F244-F265 AromaticContact CE2-CE1 3.41Å; F244-F265 HydrophobicContact CE2-CE1 3.41Å; F244-F265 VanDerWaalsContact CE2-CE1 3.41Å; F244-F265 HydrophobicContact CE2-CE2 4.31Å; F244-F265 AromaticContact CE2-CZ 3.51Å; F244-F265 HydrophobicContact CE2-CZ 3.51Å; F244-F265 HydrophobicContact CG-CE1 4.46Å; L263-F265 HydrophobicContact CB-CE2 3.82Å; L263-F265 HydrophobicContact CB-CZ 4.12Å; L263-F265 HydrophobicContact CD1-CE2 4.49Å; L263-F265 HydrophobicContact CD1-CZ 4.11Å; F265-V268 HydrophobicContact CB-CB 4.4Å; F265-V268 HydrophobicContact CB-CG2 3.88Å; F265-V268 HydrophobicContact CD1-CB 4.27Å; F265-V268 HydrophobicContact CD1-CG1 4.43Å; F265-V268 HydrophobicContact CD1-CG2 3.95Å; F265-V268 HydrophobicContact CG-CG2 4.38Å
266	E	98.8	Very high	98.6	Very high	118 Å²	118	37.2 Å²	37.2	55%	0.551	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	93.9	179.8	-65.9	-176.4	-165.6	0	0	109	G243 V268	G243-E266 WeakPolarHBondContact CA-O 3.5Å; G243-E266 PolarHBondContact O-N 3.18Å; E266-V268 PolarHBondContact O-N 3.38Å
267	N	98.6	Very high	98.5	Very high	109 Å²	109	36.5 Å²	36.5	58%	0.583	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	54	38.3	-175	-55.7	-53.2	0	0	0	114.2	I200 I201 N202 K269	I200-N267 HydrophobicContact CG2-CB 3.96Å; I201-N267 PolarHBondContact O-N 2.99Å; N202-N267 PolarHBondContact ND2-OD1 2.93Å; N202-N267 PolarHBondContact OD1-N 2.8Å; N202-N267 PolarHBondContact OD1-OD1 3.35Å; N267-K269 PolarHBondContact O-N 3.47Å; N267-K269 VanDerWaalsContact O-N 3.11Å
268	V	98.8	Very high	98.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	114.4	179	173	0	0	0	0	109.4	I200 I201 V237 T241 G243 F244 F265 E266 V270	I200-V268 CarbonylContact C-O 3.4Å; I200-V268 WeakPolarHBondContact CA-O 3.32Å; I201-V268 HydrophobicContact CB-CB 4.2Å; I201-V268 PolarHBondContact N-O 3.49Å; I201-V268 PolarHBondContact O-N 3.4Å; V237-V268 HydrophobicContact CG1-CG1 4.04Å; T241-V268 HydrophobicContact CG2-CG1 3.77Å; G243-V268 VanDerWaalsContact O-CG2 3.24Å; G243-V268 WeakPolarHBondContact O-CG2 3.42Å; F244-V268 HydrophobicContact CB-CG2 3.81Å; F265-V268 HydrophobicContact CB-CB 4.4Å; F265-V268 HydrophobicContact CB-CG2 3.88Å; F265-V268 HydrophobicContact CD1-CB 4.27Å; F265-V268 HydrophobicContact CD1-CG1 4.43Å; F265-V268 HydrophobicContact CD1-CG2 3.95Å; F265-V268 HydrophobicContact CG-CG2 4.38Å; E266-V268 PolarHBondContact O-N 3.38Å; V268-V270 HydrophobicContact CG1-CG1 4.31Å
269	K	98.8	Very high	98.5	Very high	114 Å²	114	46.2 Å²	46.2	50%	0.496	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	122.7	-176.8	-176.1	178.1	180	-177	0	110.6	D198 Y199 I200 N267	D198-K269 HydrophobicContact CB-CG 4.11Å; D198-K269 WeakPolarHBondContact OD2-CE 3.39Å; D198-K269 IonicContact OD2-NZ 2.94Å; D198-K269 PolarHBondContact OD2-NZ 3.02Å; Y199-K269 WeakPolarHBondContact O-CA 3.44Å; I200-K269 HydrophobicContact CD1-CB 3.87Å; I200-K269 HydrophobicContact CD1-CD 4.34Å; I200-K269 HydrophobicContact CD1-CG 3.79Å; N267-K269 PolarHBondContact O-N 3.47Å; N267-K269 VanDerWaalsContact O-N 3.11Å
270	V	98.5	Very high	98.5	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.3	174	-63.3	0	0	0	0	111.3	D198 Y199 I201 F235 V237 V268	D198-V270 CarbonylContact C-O 3.55Å; D198-V270 VanDerWaalsContact CA-O 3.29Å; D198-V270 WeakPolarHBondContact CA-O 3.41Å; Y199-V270 PolarHBondContact N-O 3.42Å; Y199-V270 PolarHBondContact O-N 3.31Å; I201-V270 HydrophobicContact CD1-CG1 4.48Å; I201-V270 HydrophobicContact CD1-CG2 3.92Å; I201-V270 HydrophobicContact CG1-CG2 4.3Å; F235-V270 HydrophobicContact CD1-CG2 3.86Å; F235-V270 HydrophobicContact CE1-CG2 4.42Å; V237-V270 HydrophobicContact CG2-CG1 4.13Å; V268-V270 HydrophobicContact CG1-CG1 4.31Å
271	P	98.2	Very high	98.5	Very high	55 Å²	55	49.4 Å²	49.4	36%	0.357	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	157.3	176.1	29.6	-35.7	0	0	0	111.4	D198 T273 S274	D198-P271 WeakPolarHBondContact OD1-CA 3.37Å; P271-T273 PolarHBondContact O-N 2.77Å; P271-T273 VanDerWaalsContact O-N 3.14Å; P271-S274 WeakPolarHBondContact CD-OG 3.5Å; P271-S274 WeakPolarHBondContact CG-OG 3.37Å; P271-S274 VanDerWaalsContact O-CB 3.26Å; P271-S274 WeakPolarHBondContact O-CB 3.37Å; P271-S274 PolarHBondContact O-N 2.81Å
272	E	97.8	Very high	98.5	Very high	75 Å²	75	49.3 Å²	49.3	35%	0.35	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-58.2	-26.8	174.1	179	158.7	-139.3	0	0	112.4	K194 N197 Y199 S274 V275	K194-E272 IonicContact NZ-OE1 2.74Å; K194-E272 PolarHBondContact NZ-OE1 3.47Å; K194-E272 IonicContact NZ-OE2 2.82Å; K194-E272 PolarHBondContact NZ-OE2 3.09Å; K194-E272 VanDerWaalsContact NZ-OE2 3.11Å; N197-E272 VanDerWaalsContact O-CB 3.31Å; N197-E272 WeakPolarHBondContact O-CB 3.25Å; N197-E272 PolarHBondContact O-N 3.19Å; Y199-E272 HydrophobicContact CE2-CB 4.23Å; Y199-E272 HydrophobicContact CE2-CG 4.18Å; E272-S274 PolarHBondContact O-N 2.89Å; E272-V275 WeakPolarHBondContact O-CB 3.46Å; E272-V275 WeakPolarHBondContact O-CG2 3.38Å; E272-V275 PolarHBondContact O-N 3.44Å; E272-V275 VanDerWaalsContact O-N 3.14Å
273	T	97.8	Very high	98.5	Very high	110 Å²	110	48 Å²	48	68%	0.675	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-68.9	-12.2	173.6	55.6	0	0	0	0	114	Q158 P271 V275	Q158-T273 PolarHBondContact NE2-O 3.07Å; P271-T273 PolarHBondContact O-N 2.77Å; P271-T273 VanDerWaalsContact O-N 3.14Å; T273-V275 VanDerWaalsContact C-N 3.25Å
274	S	98.1	Very high	98.4	Very high	13 Å²	13	52.8 Å²	52.8	9%	0.091	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-78.8	-4.4	170.9	-70.9	0	0	0	0	113.1	F235 L236 P271 E272 L276	F235-S274 CarbonylContact C-O 3.5Å; F235-S274 WeakPolarHBondContact CA-O 3.27Å; L236-S274 WeakPolarHBondContact CG-O 3.24Å; L236-S274 PolarHBondContact N-O 2.83Å; L236-S274 WeakPolarHBondContact O-CB 3.33Å; L236-S274 PolarHBondContact O-OG 3.45Å; P271-S274 WeakPolarHBondContact CD-OG 3.5Å; P271-S274 WeakPolarHBondContact CG-OG 3.37Å; P271-S274 VanDerWaalsContact O-CB 3.26Å; P271-S274 WeakPolarHBondContact O-CB 3.37Å; P271-S274 PolarHBondContact O-N 2.81Å; E272-S274 PolarHBondContact O-N 2.89Å; S274-L276 PolarHBondContact O-N 3.32Å
275	V	98.8	Very high	98.4	Very high	15 Å²	15	52.3 Å²	52.3	9%	0.091	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-68.2	124.9	172	175.3	0	0	0	0	109.5	Q158 Y199 T233 F235 E272 T273 V279	Q158-V275 PolarHBondContact NE2-O 3.43Å; Y199-V275 HydrophobicContact CE2-CG2 4.19Å; T233-V275 HydrophobicContact CG2-CG1 3.73Å; T233-V275 HydrophobicContact CG2-CG2 4.15Å; F235-V275 HydrophobicContact CD1-CG2 4Å; F235-V275 HydrophobicContact CE1-CG2 3.63Å; F235-V275 HydrophobicContact CZ-CG2 4.41Å; E272-V275 WeakPolarHBondContact O-CB 3.46Å; E272-V275 WeakPolarHBondContact O-CG2 3.38Å; E272-V275 PolarHBondContact O-N 3.44Å; E272-V275 VanDerWaalsContact O-N 3.14Å; T273-V275 VanDerWaalsContact C-N 3.25Å; V275-V279 HydrophobicContact CG1-CG2 4.17Å; V275-V279 HydrophobicContact CG2-CG2 4.31Å
276	L	98.7	Very high	98.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.			trans	-91.5	115.1	172.2	-176.4	65.2	0	0	0	109.6	L149 F150 L153 L218 C234 L236 S274	L149-L276 HydrophobicContact CB-CD2 4.03Å; F150-L276 HydrophobicContact CD1-CD1 4.4Å; L153-L276 HydrophobicContact CB-CD1 4.01Å; L153-L276 HydrophobicContact CB-CG 3.95Å; L218-L276 HydrophobicContact CD1-CD2 4.35Å; L218-L276 HydrophobicContact CD2-CD2 4.01Å; C234-L276 HydrophobicContact CB-CB 4.23Å; C234-L276 PolarHBondContact O-N 3.07Å; L236-L276 HydrophobicContact CD2-CB 4.03Å; L236-L276 HydrophobicContact CD2-CD2 4.27Å; L236-L276 HydrophobicContact CG-CB 4.41Å; S274-L276 PolarHBondContact O-N 3.32Å
277	G	98.4	Very high	98.1	Very high	31 Å²	31	49.6 Å²	49.6	32%	0.32	26%	0.259	S	S	.	.	S	Bend	trans	77.2	-134.4	-173.9	0	0	0	0	0	112.4
278	K	98.4	Very high	97.9	Very high	138 Å²	138	45.8 Å²	45.8	60%	0.6	25%	0.246	S	C	*	.			trans	-109.2	142.7	-176.4	-61.1	-176	179.9	-176.5	0	112	G280 H281 Y285	K278-G280 PolarHBondContact O-N 3.07Å; K278-H281 HydrophobicContact CB-CB 4.22Å; K278-H281 WeakPolarHBondContact O-CB 3.47Å; K278-H281 PolarHBondContact O-N 3.19Å; K278-H281 VanDerWaalsContact O-N 3.16Å; K278-Y285 PolarHBondContact N-OH 3.05Å
279	V	98.5	Very high	97.7	Very high	67 Å²	67	46 Å²	46	41%	0.406	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	135.1	170.2	179.3	0	0	0	0	110.1	V223 T233 V275 H281	V223-V279 HydrophobicContact CG2-CG1 3.57Å; T233-V279 HydrophobicContact CG2-CG2 4.42Å; V275-V279 HydrophobicContact CG1-CG2 4.17Å; V275-V279 HydrophobicContact CG2-CG2 4.31Å; V279-H281 PolarHBondContact O-N 3.4Å
280	G	98.3	Very high	97.6	Very high	10 Å²	10	41.7 Å²	41.7	10%	0.103	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-0.9	-179.5	0	0	0	0	0	115.6	R230 I232 T233 K278 Y283	R230-G280 CarbonylContact O-C 3.56Å; R230-G280 WeakPolarHBondContact O-CA 3.42Å; I232-G280 CarbonylContact O-C 3.55Å; I232-G280 VanDerWaalsContact O-CA 3.28Å; I232-G280 WeakPolarHBondContact O-CA 3.34Å; T233-G280 PolarHBondContact OG1-N 2.72Å; K278-G280 PolarHBondContact O-N 3.07Å; G280-Y283 WeakPolarHBondContact O-CD1 3.4Å; G280-Y283 VanDerWaalsContact O-CE1 3.27Å; G280-Y283 WeakPolarHBondContact O-CE1 3.34Å
281	H	98.6	Very high	97.5	Very high	67 Å²	67	42.1 Å²	42.1	31%	0.31	23%	0.232	S	C	.	.			trans	-101.2	2.3	177.9	-74.8	-157	0	0	0	113.6	I232 K278 V279 Y283 K284 Y285	I232-H281 PolarHBondContact O-N 3.24Å; K278-H281 HydrophobicContact CB-CB 4.22Å; K278-H281 WeakPolarHBondContact O-CB 3.47Å; K278-H281 PolarHBondContact O-N 3.19Å; K278-H281 VanDerWaalsContact O-N 3.16Å; V279-H281 PolarHBondContact O-N 3.4Å; H281-Y283 VanDerWaalsContact C-N 3.27Å; H281-Y283 PolarHBondContact O-N 3.19Å; H281-K284 WeakPolarHBondContact O-CB 3.36Å; H281-K284 PolarHBondContact O-N 3.3Å; H281-Y285 HydrophobicContact CB-CD2 4.37Å; H281-Y285 HydrophobicContact CB-CE1 4.02Å; H281-Y285 HydrophobicContact CB-CE2 3.57Å; H281-Y285 WeakPolarHBondContact CB-OH 3.34Å; H281-Y285 WeakPolarHBondContact O-CD2 3.41Å; H281-Y285 PolarHBondContact O-N 3.34Å
282	G	98.4	Very high	97.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54.2	-39.1	-178.2	0	0	0	0	0	113.4	F220 I232 K284 Y285 A286	F220-G282 WeakPolarHBondContact CE1-O 3.17Å; I232-G282 VanDerWaalsContact O-CA 3.29Å; I232-G282 WeakPolarHBondContact O-CA 3.39Å; I232-G282 PolarHBondContact O-N 3.46Å; G282-K284 VanDerWaalsContact C-N 3.29Å; G282-K284 PolarHBondContact O-N 3.4Å; G282-Y285 PolarHBondContact O-N 2.85Å; G282-Y285 VanDerWaalsContact O-N 3.16Å; G282-A286 WeakPolarHBondContact O-CB 3.32Å; G282-A286 PolarHBondContact O-N 3.28Å
283	Y	97.7	Very high	97.5	Very high	37 Å²	37	36.6 Å²	36.6	15%	0.145	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-36.6	176.6	75.6	-87.1	0	0	0	113.1	F186 Y229 R230 G280 H281 I287	F186-Y283 HydrophobicContact CE2-CD2 4.44Å; F186-Y283 WeakPolarHBondContact CZ-O 3.37Å; Y229-Y283 AromaticContact CD2-CD1 3.83Å; Y229-Y283 HydrophobicContact CD2-CD1 3.83Å; Y229-Y283 AromaticContact CD2-CD2 3.61Å; Y229-Y283 HydrophobicContact CD2-CD2 3.61Å; Y229-Y283 AromaticContact CD2-CE1 3.87Å; Y229-Y283 HydrophobicContact CD2-CE1 3.87Å; Y229-Y283 AromaticContact CD2-CE2 3.67Å; Y229-Y283 HydrophobicContact CD2-CE2 3.67Å; Y229-Y283 AromaticContact CD2-CG 3.68Å; Y229-Y283 HydrophobicContact CD2-CG 3.68Å; Y229-Y283 AromaticContact CD2-CZ 3.77Å; Y229-Y283 HydrophobicContact CE2-CD1 4.41Å; Y229-Y283 AromaticContact CE2-CD2 3.93Å; Y229-Y283 HydrophobicContact CE2-CD2 3.93Å; Y229-Y283 HydrophobicContact CE2-CE1 4.01Å; Y229-Y283 AromaticContact CE2-CE2 3.48Å; Y229-Y283 HydrophobicContact CE2-CE2 3.48Å; Y229-Y283 VanDerWaalsContact CE2-CE2 3.48Å; Y229-Y283 HydrophobicContact CE2-CG 4.36Å; Y229-Y283 AromaticContact CE2-CZ 3.5Å; Y229-Y283 WeakPolarHBondContact O-CD1 3.34Å; R230-Y283 HydrophobicContact CG-CE1 4.35Å; G280-Y283 WeakPolarHBondContact O-CD1 3.4Å; G280-Y283 VanDerWaalsContact O-CE1 3.27Å; G280-Y283 WeakPolarHBondContact O-CE1 3.34Å; H281-Y283 VanDerWaalsContact C-N 3.27Å; H281-Y283 PolarHBondContact O-N 3.19Å; Y283-I287 WeakPolarHBondContact O-CG2 3.5Å; Y283-I287 PolarHBondContact O-N 3.3Å; Y283-I287 VanDerWaalsContact O-N 3.14Å
284	K	97.8	Very high	97.6	Very high	100 Å²	100	31.7 Å²	31.7	44%	0.435	17%	0.17	S	C	.	.	H	α-helix	trans	-69.1	-40.8	177.1	-63.2	-174	179.1	177.9	0	110.6	H281 G282 G288	H281-K284 WeakPolarHBondContact O-CB 3.36Å; H281-K284 PolarHBondContact O-N 3.3Å; G282-K284 VanDerWaalsContact C-N 3.29Å; G282-K284 PolarHBondContact O-N 3.4Å; K284-G288 PolarHBondContact O-N 3.19Å
285	Y	98.3	Very high	97.6	Very high	32 Å²	32	31.1 Å²	31.1	13%	0.125	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-46.2	179.4	-53.2	-31.6	0	0	0	111.1	L153 K278 H281 G282 G288 S289	L153-Y285 HydrophobicContact CD1-CD1 3.48Å; L153-Y285 VanDerWaalsContact CD1-CD1 3.48Å; L153-Y285 HydrophobicContact CD1-CD2 3.74Å; L153-Y285 HydrophobicContact CD1-CE1 4.02Å; L153-Y285 HydrophobicContact CD1-CE2 4.27Å; L153-Y285 HydrophobicContact CD1-CG 3.32Å; L153-Y285 HydrophobicContact CD2-CD1 3.71Å; L153-Y285 HydrophobicContact CD2-CE1 3.54Å; L153-Y285 HydrophobicContact CD2-CG 4.4Å; L153-Y285 HydrophobicContact CG-CD1 4.26Å; L153-Y285 HydrophobicContact CG-CE1 4.43Å; L153-Y285 HydrophobicContact CG-CG 4.5Å; K278-Y285 PolarHBondContact N-OH 3.05Å; H281-Y285 HydrophobicContact CB-CD2 4.37Å; H281-Y285 HydrophobicContact CB-CE1 4.02Å; H281-Y285 HydrophobicContact CB-CE2 3.57Å; H281-Y285 WeakPolarHBondContact CB-OH 3.34Å; H281-Y285 WeakPolarHBondContact O-CD2 3.41Å; H281-Y285 PolarHBondContact O-N 3.34Å; G282-Y285 PolarHBondContact O-N 2.85Å; G282-Y285 VanDerWaalsContact O-N 3.16Å; Y285-G288 PolarHBondContact O-N 3.43Å; Y285-S289 PolarHBondContact O-N 3.39Å; Y285-S289 PolarHBondContact O-OG 3.27Å
286	A	96.9	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.9	-54.1	176.3	0	0	0	0	0	112	F174 L176 F220 G282 G288 S289 L290	F174-A286 HydrophobicContact CZ-CB 4.12Å; L176-A286 HydrophobicContact CD1-CB 4.23Å; L176-A286 HydrophobicContact CD2-CB 4.13Å; F220-A286 HydrophobicContact CD1-CB 4.04Å; F220-A286 HydrophobicContact CE1-CB 3.62Å; F220-A286 HydrophobicContact CE2-CB 4.5Å; F220-A286 HydrophobicContact CZ-CB 3.87Å; G282-A286 WeakPolarHBondContact O-CB 3.32Å; G282-A286 PolarHBondContact O-N 3.28Å; A286-G288 VanDerWaalsContact C-N 3.33Å; A286-G288 PolarHBondContact O-N 2.98Å; A286-S289 PolarHBondContact O-N 3.38Å; A286-S289 PolarHBondContact O-OG 2.93Å; A286-L290 WeakPolarHBondContact O-CB 3.32Å; A286-L290 WeakPolarHBondContact O-CG 3.48Å; A286-L290 PolarHBondContact O-N 3.05Å
287	I	94.2	Very high	97.6	Very high	64 Å²	64	30.4 Å²	30.4	33%	0.328	16%	0.162	S	C	.	.	H	α-helix	trans	-69	-34.4	-178.9	-164.8	61.3	0	0	0	112.1	F186 Y283 L290 N291	F186-I287 HydrophobicContact CZ-CB 4.28Å; Y283-I287 WeakPolarHBondContact O-CG2 3.5Å; Y283-I287 PolarHBondContact O-N 3.3Å; Y283-I287 VanDerWaalsContact O-N 3.14Å; I287-L290 PolarHBondContact O-N 2.91Å; I287-N291 PolarHBondContact O-N 3.28Å; I287-N291 PolarHBondContact O-ND2 2.94Å
288	G	94.4	Very high	97.7	Very high	30 Å²	30	28.9 Å²	28.9	31%	0.309	15%	0.147	S	C	.	.	H	α-helix	trans	-60.2	-47.2	175.5	0	0	0	0	0	112.3	K284 Y285 A286 N291	K284-G288 PolarHBondContact O-N 3.19Å; Y285-G288 PolarHBondContact O-N 3.43Å; A286-G288 VanDerWaalsContact C-N 3.33Å; A286-G288 PolarHBondContact O-N 2.98Å; G288-N291 PolarHBondContact O-N 3.16Å
289	S	95.4	Very high	97.7	Very high	5 Å²	5	22.3 Å²	22.3	4%	0.035	12%	0.118	C	C	.	.	H	α-helix	trans	-68.4	-40.3	176.4	61.3	0	0	0	0	112.4	Y285 A286 N291 E292 G293	Y285-S289 PolarHBondContact O-N 3.39Å; Y285-S289 PolarHBondContact O-OG 3.27Å; A286-S289 PolarHBondContact O-N 3.38Å; A286-S289 PolarHBondContact O-OG 2.93Å; S289-N291 PolarHBondContact O-N 3.32Å; S289-E292 PolarHBondContact O-N 3.3Å; S289-G293 PolarHBondContact O-N 3.48Å
290	L	96.1	Very high	97.7	Very high	22 Å²	22	19.1 Å²	19.1	12%	0.115	10%	0.099	C	C	.	.	H	α-helix	trans	-63.1	-27.1	177.4	-69.6	170	0	0	0	112.5	F174 L176 A286 I287 E292 R294 E414	F174-L290 HydrophobicContact CE1-CD2 4.09Å; F174-L290 HydrophobicContact CE1-CG 4.46Å; F174-L290 HydrophobicContact CZ-CD2 4.41Å; F174-L290 HydrophobicContact CZ-CG 4.34Å; L176-L290 HydrophobicContact CD2-CD1 3.98Å; A286-L290 WeakPolarHBondContact O-CB 3.32Å; A286-L290 WeakPolarHBondContact O-CG 3.48Å; A286-L290 PolarHBondContact O-N 3.05Å; I287-L290 PolarHBondContact O-N 2.91Å; L290-E292 VanDerWaalsContact C-N 3.29Å; L290-E292 PolarHBondContact O-N 3.09Å; L290-R294 WeakPolarHBondContact O-CB 3.31Å; L290-R294 WeakPolarHBondContact O-CD 3.45Å; L290-R294 WeakPolarHBondContact O-CG 3.33Å; L290-R294 PolarHBondContact O-N 3.44Å; L290-E414 WeakPolarHBondContact CD2-OE2 3.41Å
291	N	97.5	Very high	97.7	Very high	13 Å²	13	18.7 Å²	18.7	7%	0.07	9%	0.094	C	C	.	.	H	α-helix	trans	-64.9	-34.9	174.2	-68.8	-31.9	0	0	0	112.1	I287 G288 S289 R294 F363 A367	I287-N291 PolarHBondContact O-N 3.28Å; I287-N291 PolarHBondContact O-ND2 2.94Å; G288-N291 PolarHBondContact O-N 3.16Å; S289-N291 PolarHBondContact O-N 3.32Å; N291-R294 PolarHBondContact OD1-NH1 3.1Å; N291-F363 HydrophobicContact CB-CE2 3.84Å; N291-F363 HydrophobicContact CB-CZ 4.22Å; N291-A367 WeakPolarHBondContact O-CB 3.33Å
292	E	97.8	Very high	97.8	Very high	14 Å²	14	15.6 Å²	15.6	7%	0.065	8%	0.079	C	C	.	.	H	α-helix	trans	-80.2	-42	174	-71.3	172	-175.2	0	0	111.6	F118 N148 K152 S289 L290 R294 I295 G296 F363	F118-E292 HydrophobicContact CE2-CB 4.12Å; F118-E292 HydrophobicContact CE2-CG 4.47Å; F118-E292 HydrophobicContact CZ-CB 4.08Å; F118-E292 HydrophobicContact CZ-CG 4.4Å; N148-E292 PolarHBondContact ND2-OE2 3.45Å; K152-E292 IonicContact NZ-OE1 3.88Å; K152-E292 PolarHBondContact NZ-OE1 2.92Å; K152-E292 IonicContact NZ-OE2 3.79Å; K152-E292 PolarHBondContact NZ-OE2 3.41Å; S289-E292 PolarHBondContact O-N 3.3Å; L290-E292 VanDerWaalsContact C-N 3.29Å; L290-E292 PolarHBondContact O-N 3.09Å; E292-R294 PolarHBondContact O-N 3.33Å; E292-I295 WeakPolarHBondContact O-CB 3.48Å; E292-I295 PolarHBondContact O-N 3.47Å; E292-G296 PolarHBondContact O-N 3.12Å; E292-F363 HydrophobicContact CG-CE2 3.99Å; E292-F363 HydrophobicContact CG-CZ 3.81Å
293	G	98.1	Very high	97.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-54.1	-38.7	174.3	0	0	0	0	0	112.6	S289 I295 G296 I297	S289-G293 PolarHBondContact O-N 3.48Å; G293-I295 PolarHBondContact O-N 2.97Å; G293-G296 CarbonylContact O-C 3.59Å; G293-G296 WeakPolarHBondContact O-CA 3.44Å; G293-G296 PolarHBondContact O-N 3.39Å; G293-I297 WeakPolarHBondContact O-CG1 3.34Å; G293-I297 PolarHBondContact O-N 2.9Å
294	R	98.9	Very high	97.8	Very high	8 Å²	8	13.8 Å²	13.8	3%	0.03	7%	0.073	C	C	.	.	H	α-helix	trans	-54.4	-36.4	172.3	-78.1	165.7	-167.2	164.1	10.5	113.9	L290 N291 E292 A298 A367 S368 K371 Q420	L290-R294 WeakPolarHBondContact O-CB 3.31Å; L290-R294 WeakPolarHBondContact O-CD 3.45Å; L290-R294 WeakPolarHBondContact O-CG 3.33Å; L290-R294 PolarHBondContact O-N 3.44Å; N291-R294 PolarHBondContact OD1-NH1 3.1Å; E292-R294 PolarHBondContact O-N 3.33Å; R294-A298 WeakPolarHBondContact O-CB 3.5Å; R294-A298 PolarHBondContact O-N 3.03Å; R294-A367 HydrophobicContact CB-CB 4.44Å; R294-S368 PolarHBondContact NH1-OG 3.04Å; R294-K371 HydrophobicContact CB-CB 3.96Å; R294-K371 HydrophobicContact CB-CG 4.08Å; R294-K371 HydrophobicContact CG-CB 4.34Å; R294-K371 HydrophobicContact CG-CG 4.17Å; R294-K371 WeakPolarHBondContact O-CB 3.46Å; R294-K371 WeakPolarHBondContact O-CG 3.42Å; R294-Q420 VanDerWaalsContact CD-OE1 3.31Å
295	I	98.9	Very high	97.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-71.5	-39.7	176.7	-53.7	171.3	0	0	0	110	F118 V122 E292 G293 A298 A299 T350 A353 A354 V357 F363 A367	F118-I295 HydrophobicContact CE1-CB 4.24Å; F118-I295 HydrophobicContact CE1-CD1 3.79Å; F118-I295 HydrophobicContact CE1-CG2 4.11Å; F118-I295 HydrophobicContact CZ-CB 4.17Å; F118-I295 HydrophobicContact CZ-CD1 4.14Å; F118-I295 HydrophobicContact CZ-CG2 4.45Å; V122-I295 HydrophobicContact CG2-CG2 3.83Å; E292-I295 WeakPolarHBondContact O-CB 3.48Å; E292-I295 PolarHBondContact O-N 3.47Å; G293-I295 PolarHBondContact O-N 2.97Å; I295-A298 WeakPolarHBondContact O-CB 3.48Å; I295-A298 PolarHBondContact O-N 3.26Å; I295-A299 PolarHBondContact O-N 3.09Å; I295-T350 HydrophobicContact CG2-CG2 4.27Å; I295-A353 HydrophobicContact CD1-CB 3.93Å; I295-A353 HydrophobicContact CG1-CB 4.01Å; I295-A353 HydrophobicContact CG2-CB 4.44Å; I295-A354 HydrophobicContact CG2-CB 4.16Å; I295-V357 HydrophobicContact CD1-CG2 3.6Å; I295-F363 HydrophobicContact CD1-CD2 4.04Å; I295-F363 HydrophobicContact CD1-CE2 4.33Å; I295-A367 HydrophobicContact CD1-CB 3.97Å; I295-A367 HydrophobicContact CG1-CB 3.53Å
296	G	98.9	Very high	97.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.5	-45.8	172.4	0	0	0	0	0	112.6	I125 D140 E292 G293 A298 A299 Q300	I125-G296 WeakPolarHBondContact CG2-O 3.37Å; D140-G296 WeakPolarHBondContact OD1-CA 3.29Å; E292-G296 PolarHBondContact O-N 3.12Å; G293-G296 CarbonylContact O-C 3.59Å; G293-G296 WeakPolarHBondContact O-CA 3.44Å; G293-G296 PolarHBondContact O-N 3.39Å; G296-A298 VanDerWaalsContact C-N 3.34Å; G296-A298 PolarHBondContact O-N 3.38Å; G296-A299 VanDerWaalsContact O-CB 3.31Å; G296-A299 WeakPolarHBondContact O-CB 3.28Å; G296-A299 PolarHBondContact O-N 3.41Å; G296-A299 VanDerWaalsContact O-N 3.13Å; G296-Q300 PolarHBondContact O-N 3.18Å
297	I	98.9	Very high	98	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.3	-38.3	173.3	-61.1	-54.6	0	0	0	112.1	L137 D140 G293 A299 Q300 M301 K371 Y413 E414	L137-I297 HydrophobicContact CD1-CD1 3.98Å; D140-I297 WeakPolarHBondContact OD2-CD1 3.49Å; G293-I297 WeakPolarHBondContact O-CG1 3.34Å; G293-I297 PolarHBondContact O-N 2.9Å; I297-A299 VanDerWaalsContact C-N 3.29Å; I297-A299 PolarHBondContact O-N 3.33Å; I297-Q300 PolarHBondContact O-N 3.05Å; I297-M301 HydrophobicContact CG2-CG 4.3Å; I297-M301 WeakPolarHBondContact O-CB 3.34Å; I297-M301 VanDerWaalsContact O-CG 3.28Å; I297-M301 WeakPolarHBondContact O-CG 3.19Å; I297-M301 PolarHBondContact O-N 2.82Å; I297-K371 HydrophobicContact CB-CG 4.14Å; I297-K371 HydrophobicContact CG2-CD 4.38Å; I297-K371 HydrophobicContact CG2-CG 3.99Å; I297-Y413 HydrophobicContact CB-CE1 4.46Å; I297-Y413 HydrophobicContact CD1-CE1 3.97Å; I297-Y413 HydrophobicContact CD1-CE2 3.92Å; I297-Y413 HydrophobicContact CG1-CE1 4.25Å; I297-Y413 HydrophobicContact CG2-CD1 4.28Å; I297-Y413 HydrophobicContact CG2-CE1 3.38Å; I297-E414 HydrophobicContact CD1-CG 4.17Å; I297-E414 HydrophobicContact CG1-CB 3.88Å; I297-E414 HydrophobicContact CG1-CG 3.66Å
298	A	98.9	Very high	98.2	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-59.7	-42.7	173.5	0	0	0	0	0	111.1	R294 I295 G296 M301 L302 T350 A370 K371 A374	R294-A298 WeakPolarHBondContact O-CB 3.5Å; R294-A298 PolarHBondContact O-N 3.03Å; I295-A298 WeakPolarHBondContact O-CB 3.48Å; I295-A298 PolarHBondContact O-N 3.26Å; G296-A298 VanDerWaalsContact C-N 3.34Å; G296-A298 PolarHBondContact O-N 3.38Å; A298-M301 PolarHBondContact O-N 3.36Å; A298-L302 VanDerWaalsContact O-CB 3.29Å; A298-L302 WeakPolarHBondContact O-CB 3.27Å; A298-L302 PolarHBondContact O-N 3.24Å; A298-T350 HydrophobicContact CB-CG2 3.92Å; A298-A370 HydrophobicContact CB-CB 3.95Å; A298-K371 HydrophobicContact CB-CB 4.47Å; A298-A374 HydrophobicContact CB-CB 4.15Å
299	A	98.9	Very high	98.5	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.6	-42	175	0	0	0	0	0	112.3	V122 I125 E126 I295 G296 I297 L302 G303 T350	V122-A299 HydrophobicContact CG1-CB 3.84Å; V122-A299 WeakPolarHBondContact O-CB 3.39Å; I125-A299 HydrophobicContact CB-CB 4.16Å; I125-A299 HydrophobicContact CG2-CB 4Å; E126-A299 HydrophobicContact CB-CB 4.44Å; I295-A299 PolarHBondContact O-N 3.09Å; G296-A299 VanDerWaalsContact O-CB 3.31Å; G296-A299 WeakPolarHBondContact O-CB 3.28Å; G296-A299 PolarHBondContact O-N 3.41Å; G296-A299 VanDerWaalsContact O-N 3.13Å; I297-A299 VanDerWaalsContact C-N 3.29Å; I297-A299 PolarHBondContact O-N 3.33Å; A299-L302 PolarHBondContact O-N 3.4Å; A299-G303 PolarHBondContact O-N 2.86Å; A299-T350 HydrophobicContact CB-CG2 4.2Å
300	Q	98.9	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.4	-46	175.4	-173.8	-169.2	13.5	0	0	111.3	I125 A129 A133 A136 G296 I297 G303 L304 Y413	I125-Q300 HydrophobicContact CG2-CB 3.95Å; A129-Q300 HydrophobicContact CB-CB 4.44Å; A129-Q300 HydrophobicContact CB-CG 4.05Å; A129-Q300 VanDerWaalsContact CB-O 3.25Å; A129-Q300 WeakPolarHBondContact CB-O 3.21Å; A133-Q300 HydrophobicContact CB-CG 4.44Å; A133-Q300 PolarHBondContact O-NE2 2.95Å; A136-Q300 HydrophobicContact CB-CG 4.03Å; G296-Q300 PolarHBondContact O-N 3.18Å; I297-Q300 PolarHBondContact O-N 3.05Å; Q300-G303 PolarHBondContact O-N 2.74Å; Q300-L304 PolarHBondContact O-N 3.16Å; Q300-Y413 PolarHBondContact OE1-OH 2.92Å
301	M	98.9	Very high	98.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66.3	-40.6	178.8	-68.7	-56.9	102.7	0	0	111.8	I297 A298 L304 A305 A374 A378 G410 Y413	I297-M301 HydrophobicContact CG2-CG 4.3Å; I297-M301 WeakPolarHBondContact O-CB 3.34Å; I297-M301 VanDerWaalsContact O-CG 3.28Å; I297-M301 WeakPolarHBondContact O-CG 3.19Å; I297-M301 PolarHBondContact O-N 2.82Å; A298-M301 PolarHBondContact O-N 3.36Å; M301-L304 HydrophobicContact CE-CD2 3.32Å; M301-L304 HydrophobicContact SD-CD2 3.78Å; M301-A305 WeakPolarHBondContact O-CB 3.46Å; M301-A305 PolarHBondContact O-N 3.35Å; M301-A305 VanDerWaalsContact O-N 3.11Å; M301-A374 HydrophobicContact CB-CB 4.04Å; M301-A378 HydrophobicContact CB-CB 3.98Å; M301-A378 HydrophobicContact SD-CB 4.17Å; M301-G410 WeakPolarHBondContact SD-CA 3.29Å; M301-Y413 VanDerWaalsContact CE-OH 3.27Å; M301-Y413 WeakPolarHBondContact CE-OH 3.37Å
302	L	98.9	Very high	98.8	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	6%	0.058	C	C	.	.	H	α-helix	trans	-61.5	-48.9	173.8	175.1	63	0	0	0	111.4	E126 A298 A299 A305 Q306 L343 A346 R347 Y351	E126-L302 HydrophobicContact CG-CD2 4.22Å; E126-L302 HydrophobicContact CG-CG 4.2Å; E126-L302 VanDerWaalsContact OE2-CD2 3.27Å; E126-L302 WeakPolarHBondContact OE2-CD2 3.19Å; A298-L302 VanDerWaalsContact O-CB 3.29Å; A298-L302 WeakPolarHBondContact O-CB 3.27Å; A298-L302 PolarHBondContact O-N 3.24Å; A299-L302 PolarHBondContact O-N 3.4Å; L302-A305 PolarHBondContact O-N 2.87Å; L302-Q306 WeakPolarHBondContact O-CB 3.22Å; L302-Q306 PolarHBondContact O-N 3.16Å; L302-L343 HydrophobicContact CD1-CD2 4.47Å; L302-A346 HydrophobicContact CD1-CB 4.28Å; L302-R347 HydrophobicContact CD1-CB 4.05Å; L302-R347 HydrophobicContact CD2-CB 3.8Å; L302-R347 HydrophobicContact CD2-CG 4Å; L302-Y351 HydrophobicContact CD2-CE1 4.46Å
303	G	98.9	Very high	98.9	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.4	-49.3	-178.1	0	0	0	0	0	112.2	E126 K130 A299 Q300 A305 Q306 G307	E126-G303 WeakPolarHBondContact O-CA 3.27Å; K130-G303 VanDerWaalsContact CA-O 3.27Å; K130-G303 WeakPolarHBondContact CA-O 3.25Å; K130-G303 WeakPolarHBondContact CG-O 3.26Å; A299-G303 PolarHBondContact O-N 2.86Å; Q300-G303 PolarHBondContact O-N 2.74Å; G303-A305 VanDerWaalsContact C-N 3.3Å; G303-A305 PolarHBondContact O-N 3.11Å; G303-Q306 PolarHBondContact O-N 3.1Å; G303-G307 PolarHBondContact O-N 3.16Å
304	L	98.9	Very high	98.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.2	-36.9	179.3	82.6	84.8	0	0	0	112	A129 A133 Q300 M301 G307 C308 A378 T382 F403 A407	A129-L304 HydrophobicContact CB-CB 4.44Å; A129-L304 WeakPolarHBondContact O-CA 3.31Å; A129-L304 PolarHBondContact O-N 3.43Å; A133-L304 HydrophobicContact CB-CB 4.21Å; A133-L304 HydrophobicContact CB-CD2 4Å; Q300-L304 PolarHBondContact O-N 3.16Å; M301-L304 HydrophobicContact CE-CD2 3.32Å; M301-L304 HydrophobicContact SD-CD2 3.78Å; L304-G307 PolarHBondContact O-N 3.05Å; L304-C308 WeakPolarHBondContact O-CB 3.4Å; L304-C308 PolarHBondContact O-N 2.88Å; L304-A378 HydrophobicContact CD1-CB 4.27Å; L304-T382 HydrophobicContact CD1-CG2 3.82Å; L304-F403 HydrophobicContact CB-CD1 4.01Å; L304-F403 HydrophobicContact CB-CE1 4.3Å; L304-F403 HydrophobicContact CD1-CD1 4.42Å; L304-F403 VanDerWaalsContact O-CD1 3.28Å; L304-F403 WeakPolarHBondContact O-CD1 3.47Å; L304-A407 HydrophobicContact CD1-CB 3.7Å
305	A	98.9	Very high	98.9	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-68.4	-41.2	177.8	0	0	0	0	0	110.9	M301 L302 G303 C308 F309 L343 A378 T381	M301-A305 WeakPolarHBondContact O-CB 3.46Å; M301-A305 PolarHBondContact O-N 3.35Å; M301-A305 VanDerWaalsContact O-N 3.11Å; L302-A305 PolarHBondContact O-N 2.87Å; G303-A305 VanDerWaalsContact C-N 3.3Å; G303-A305 PolarHBondContact O-N 3.11Å; A305-C308 PolarHBondContact O-N 3.21Å; A305-F309 WeakPolarHBondContact O-CB 3.46Å; A305-F309 PolarHBondContact O-N 3.1Å; A305-L343 HydrophobicContact CB-CD2 3.52Å; A305-A378 HydrophobicContact CB-CB 3.96Å; A305-T381 HydrophobicContact CB-CG2 4.11Å
306	Q	98.9	Very high	98.9	Very high	27 Å²	27	17.2 Å²	17.2	13%	0.126	9%	0.087	C	C	.	.	H	α-helix	trans	-63.4	-45.2	174	-170.1	65.6	59.3	0	0	111.6	K130 L302 G303 C308 F309 D310	K130-Q306 HydrophobicContact CG-CB 4.33Å; L302-Q306 WeakPolarHBondContact O-CB 3.22Å; L302-Q306 PolarHBondContact O-N 3.16Å; G303-Q306 PolarHBondContact O-N 3.1Å; Q306-C308 VanDerWaalsContact C-N 3.35Å; Q306-C308 PolarHBondContact O-N 2.79Å; Q306-F309 PolarHBondContact O-N 3.33Å; Q306-D310 PolarHBondContact NE2-OD1 3.31Å; Q306-D310 VanDerWaalsContact O-CB 3.31Å; Q306-D310 WeakPolarHBondContact O-CB 3.47Å; Q306-D310 PolarHBondContact O-N 2.96Å
307	G	98.9	Very high	98.9	Very high	9 Å²	9	22 Å²	22	9%	0.093	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-42.2	177	0	0	0	0	0	112.8	K130 G303 L304 Y311	K130-G307 WeakPolarHBondContact O-CA 3.34Å; G303-G307 PolarHBondContact O-N 3.16Å; L304-G307 PolarHBondContact O-N 3.05Å; G307-Y311 WeakPolarHBondContact O-CB 3.5Å; G307-Y311 PolarHBondContact O-N 3.46Å
308	C	98.9	Very high	98.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-44.4	174.9	-168	0	0	0	0	112.1	L304 A305 Q306 T312 T382 C385 F403	L304-C308 WeakPolarHBondContact O-CB 3.4Å; L304-C308 PolarHBondContact O-N 2.88Å; A305-C308 PolarHBondContact O-N 3.21Å; Q306-C308 VanDerWaalsContact C-N 3.35Å; Q306-C308 PolarHBondContact O-N 2.79Å; C308-T312 WeakPolarHBondContact O-CB 3.46Å; C308-T312 PolarHBondContact O-N 2.88Å; C308-T312 VanDerWaalsContact O-N 3.11Å; C308-T312 PolarHBondContact O-OG1 3.37Å; C308-T382 HydrophobicContact CB-CG2 3.96Å; C308-C385 WeakPolarHBondContact SG-CB 3.25Å; C308-F403 HydrophobicContact CB-CB 3.77Å; C308-F403 HydrophobicContact CB-CD1 4.18Å; C308-F403 HydrophobicContact CB-CD2 3.83Å; C308-F403 HydrophobicContact CB-CE2 4.44Å; C308-F403 HydrophobicContact CB-CG 3.68Å
309	F	98.9	Very high	98.9	Very high	21 Å²	21	34.4 Å²	34.4	9%	0.092	16%	0.16	C	C	.	.	H	α-helix	trans	-63.5	-48.5	177	-173.8	-94	0	0	0	111.5	A305 Q306 Y311 T312 I313 V336 V339 A340 L343 T381 W388	A305-F309 WeakPolarHBondContact O-CB 3.46Å; A305-F309 PolarHBondContact O-N 3.1Å; Q306-F309 PolarHBondContact O-N 3.33Å; F309-Y311 VanDerWaalsContact C-N 3.28Å; F309-Y311 PolarHBondContact O-N 3.24Å; F309-T312 PolarHBondContact O-N 3.36Å; F309-I313 HydrophobicContact CD1-CD1 4.43Å; F309-I313 HydrophobicContact CD1-CG1 3.75Å; F309-I313 HydrophobicContact CD2-CD1 4.37Å; F309-I313 HydrophobicContact CD2-CG1 4.46Å; F309-I313 HydrophobicContact CE1-CD1 3.9Å; F309-I313 HydrophobicContact CE1-CG1 3.45Å; F309-I313 VanDerWaalsContact CE1-CG1 3.45Å; F309-I313 HydrophobicContact CE2-CD1 3.83Å; F309-I313 HydrophobicContact CE2-CG1 4.21Å; F309-I313 HydrophobicContact CG-CG1 4.26Å; F309-I313 HydrophobicContact CZ-CD1 3.58Å; F309-I313 HydrophobicContact CZ-CG1 3.72Å; F309-I313 WeakPolarHBondContact O-CG1 3.38Å; F309-I313 PolarHBondContact O-N 3.15Å; F309-V336 HydrophobicContact CE2-CG1 4.12Å; F309-V336 HydrophobicContact CZ-CG1 3.88Å; F309-V339 HydrophobicContact CD2-CG1 3.65Å; F309-V339 HydrophobicContact CE2-CB 4.29Å; F309-V339 HydrophobicContact CE2-CG1 3.79Å; F309-A340 HydrophobicContact CZ-CB 3.98Å; F309-L343 HydrophobicContact CB-CD1 3.94Å; F309-L343 HydrophobicContact CD1-CD1 4.28Å; F309-L343 HydrophobicContact CD2-CD1 4.1Å; F309-L343 HydrophobicContact CG-CD1 3.86Å; F309-T381 HydrophobicContact CB-CG2 4.3Å; F309-W388 HydrophobicContact CD2-CH2 4.46Å; F309-W388 HydrophobicContact CD2-CZ3 4.07Å; F309-W388 HydrophobicContact CE2-CH2 4.24Å; F309-W388 HydrophobicContact CE2-CZ3 4.07Å
310	D	98.9	Very high	98.8	Very high	81 Å²	81	38.5 Å²	38.5	43%	0.433	18%	0.181	S	C	.	.	H	α-helix	trans	-62.1	-33.3	-179.6	-71.4	-11.7	0	0	0	112.5	Q306 P314	Q306-D310 PolarHBondContact NE2-OD1 3.31Å; Q306-D310 VanDerWaalsContact O-CB 3.31Å; Q306-D310 WeakPolarHBondContact O-CB 3.47Å; Q306-D310 PolarHBondContact O-N 2.96Å; D310-P314 WeakPolarHBondContact O-CD 3.19Å; D310-P314 WeakPolarHBondContact O-CG 3.32Å
311	Y	98.9	Very high	98.8	Very high	93 Å²	93	42.8 Å²	42.8	37%	0.365	20%	0.201	S	C	.	.	H	α-helix	trans	-69.7	-39.1	171.5	-173.3	-90	0	0	0	112.2	G307 F309 M389 Y398 P399 V400	G307-Y311 WeakPolarHBondContact O-CB 3.5Å; G307-Y311 PolarHBondContact O-N 3.46Å; F309-Y311 VanDerWaalsContact C-N 3.28Å; F309-Y311 PolarHBondContact O-N 3.24Å; Y311-M389 HydrophobicContact CD1-CE 4.44Å; Y311-M389 HydrophobicContact CD1-SD 4.15Å; Y311-M389 HydrophobicContact CE1-CE 3.8Å; Y311-M389 HydrophobicContact CE1-SD 4.07Å; Y311-Y398 HydrophobicContact CE1-CD1 4.02Å; Y311-Y398 VanDerWaalsContact OH-CD1 3.24Å; Y311-Y398 WeakPolarHBondContact OH-CD1 3.36Å; Y311-P399 HydrophobicContact CD1-CG 3.9Å; Y311-P399 HydrophobicContact CD2-CG 3.76Å; Y311-P399 HydrophobicContact CE1-CG 3.84Å; Y311-P399 HydrophobicContact CE2-CG 3.69Å; Y311-P399 HydrophobicContact CG-CG 3.86Å; Y311-P399 VanDerWaalsContact CZ-CD 3.44Å; Y311-V400 HydrophobicContact CD1-CG1 3.88Å
312	T	98.9	Very high	98.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-78.4	-36.4	-171.9	-55.9	0	0	0	0	112.8	C308 F309 Y315 I316 C385 W388 M389	C308-T312 WeakPolarHBondContact O-CB 3.46Å; C308-T312 PolarHBondContact O-N 2.88Å; C308-T312 VanDerWaalsContact O-N 3.11Å; C308-T312 PolarHBondContact O-OG1 3.37Å; F309-T312 PolarHBondContact O-N 3.36Å; T312-Y315 WeakPolarHBondContact O-CB 3.49Å; T312-Y315 PolarHBondContact O-N 3Å; T312-Y315 VanDerWaalsContact O-N 3.16Å; T312-I316 HydrophobicContact CG2-CG2 4.08Å; T312-I316 WeakPolarHBondContact O-CG1 3.33Å; T312-I316 PolarHBondContact O-N 3.44Å; T312-C385 HydrophobicContact CG2-CB 4.16Å; T312-C385 WeakPolarHBondContact OG1-CB 3.48Å; T312-W388 HydrophobicContact CG2-CB 4.17Å; T312-W388 HydrophobicContact CG2-CE3 3.83Å; T312-M389 HydrophobicContact CG2-CG 3.88Å
313	I	98.9	Very high	98.8	Very high	32 Å²	32	55 Å²	55	16%	0.164	28%	0.276	C	S	.	.	H	α-helix	trans	-58.9	-47.1	-177.7	-65.4	-52.4	0	0	0	113.2	F309 Y315 I316 K317 V336	F309-I313 HydrophobicContact CD1-CD1 4.43Å; F309-I313 HydrophobicContact CD1-CG1 3.75Å; F309-I313 HydrophobicContact CD2-CD1 4.37Å; F309-I313 HydrophobicContact CD2-CG1 4.46Å; F309-I313 HydrophobicContact CE1-CD1 3.9Å; F309-I313 HydrophobicContact CE1-CG1 3.45Å; F309-I313 VanDerWaalsContact CE1-CG1 3.45Å; F309-I313 HydrophobicContact CE2-CD1 3.83Å; F309-I313 HydrophobicContact CE2-CG1 4.21Å; F309-I313 HydrophobicContact CG-CG1 4.26Å; F309-I313 HydrophobicContact CZ-CD1 3.58Å; F309-I313 HydrophobicContact CZ-CG1 3.72Å; F309-I313 WeakPolarHBondContact O-CG1 3.38Å; F309-I313 PolarHBondContact O-N 3.15Å; I313-Y315 PolarHBondContact O-N 3.49Å; I313-I316 HydrophobicContact CD1-CD1 3.72Å; I313-I316 WeakPolarHBondContact O-CG1 3.21Å; I313-I316 PolarHBondContact O-N 2.83Å; I313-K317 HydrophobicContact CG2-CD 3.93Å; I313-K317 VanDerWaalsContact O-CG 3.29Å; I313-K317 WeakPolarHBondContact O-CG 3.27Å; I313-K317 PolarHBondContact O-N 3.22Å; I313-V336 HydrophobicContact CD1-CG1 3.73Å; I313-V336 HydrophobicContact CD1-CG2 4.15Å
314	P	98.8	Very high	98.7	Very high	61 Å²	61	58.9 Å²	58.9	40%	0.396	29%	0.293	S	S	.	.	H	α-helix	trans	-56.9	-46.2	172.3	-26.2	35.6	0	0	0	112.5	D310 I316 K317 E318	D310-P314 WeakPolarHBondContact O-CD 3.19Å; D310-P314 WeakPolarHBondContact O-CG 3.32Å; P314-I316 PolarHBondContact O-N 3.42Å; P314-K317 WeakPolarHBondContact O-CB 3.33Å; P314-K317 PolarHBondContact O-N 2.99Å; P314-E318 WeakPolarHBondContact O-CG 3.47Å; P314-E318 PolarHBondContact O-N 3.11Å
315	Y	98.8	Very high	98.7	Very high	35 Å²	35	63.3 Å²	63.3	14%	0.137	31%	0.31	C	S	.	.	H	α-helix	trans	-55.9	-48.8	-180	178.7	-86.3	0	0	0	112.3	T312 I313 K317 E318 R319 I326 M389 A392 Y398	T312-Y315 WeakPolarHBondContact O-CB 3.49Å; T312-Y315 PolarHBondContact O-N 3Å; T312-Y315 VanDerWaalsContact O-N 3.16Å; I313-Y315 PolarHBondContact O-N 3.49Å; Y315-K317 PolarHBondContact O-N 3.34Å; Y315-E318 PolarHBondContact O-N 2.98Å; Y315-E318 VanDerWaalsContact O-N 3.12Å; Y315-R319 HydrophobicContact CD1-CB 4.41Å; Y315-R319 HydrophobicContact CE1-CB 4.04Å; Y315-R319 HydrophobicContact CE1-CG 4.21Å; Y315-R319 WeakPolarHBondContact O-CB 3.34Å; Y315-R319 PolarHBondContact O-N 3.33Å; Y315-I326 HydrophobicContact CD1-CD1 4.49Å; Y315-I326 HydrophobicContact CE1-CD1 4.26Å; Y315-M389 HydrophobicContact CD1-CB 4.38Å; Y315-M389 HydrophobicContact CD1-CE 4.15Å; Y315-M389 HydrophobicContact CD1-CG 3.85Å; Y315-M389 HydrophobicContact CD2-CE 3.53Å; Y315-M389 HydrophobicContact CE1-CB 4.19Å; Y315-M389 HydrophobicContact CE1-CE 4.41Å; Y315-M389 HydrophobicContact CE1-CG 4.16Å; Y315-M389 HydrophobicContact CE2-CE 3.78Å; Y315-M389 HydrophobicContact CG-CE 3.73Å; Y315-M389 HydrophobicContact CG-CG 4.24Å; Y315-M389 PolarHBondContact OH-O 3.18Å; Y315-A392 HydrophobicContact CE2-CB 4.44Å; Y315-Y398 HydrophobicContact CE2-CE1 4.47Å
316	I	98.6	Very high	98.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-71.2	-19.2	-178.4	63.3	174.1	0	0	0	113.1	T312 I313 P314 I326 F327 L332 V336 W388	T312-I316 HydrophobicContact CG2-CG2 4.08Å; T312-I316 WeakPolarHBondContact O-CG1 3.33Å; T312-I316 PolarHBondContact O-N 3.44Å; I313-I316 HydrophobicContact CD1-CD1 3.72Å; I313-I316 WeakPolarHBondContact O-CG1 3.21Å; I313-I316 PolarHBondContact O-N 2.83Å; P314-I316 PolarHBondContact O-N 3.42Å; I316-I326 HydrophobicContact CB-CD1 3.93Å; I316-I326 HydrophobicContact CB-CG1 3.72Å; I316-I326 HydrophobicContact CG2-CD1 3.73Å; I316-I326 HydrophobicContact CG2-CG1 4.1Å; I316-I326 VanDerWaalsContact O-CG1 3.22Å; I316-I326 WeakPolarHBondContact O-CG1 3.28Å; I316-I326 PolarHBondContact O-N 2.88Å; I316-F327 HydrophobicContact CD1-CD2 3.6Å; I316-F327 HydrophobicContact CD1-CE2 4.29Å; I316-F327 HydrophobicContact CG1-CB 4.37Å; I316-F327 HydrophobicContact CG1-CD2 3.94Å; I316-F327 WeakPolarHBondContact O-CB 3.45Å; I316-F327 PolarHBondContact O-N 3.18Å; I316-L332 HydrophobicContact CD1-CD2 3.69Å; I316-V336 HydrophobicContact CD1-CG2 3.84Å; I316-W388 HydrophobicContact CG2-CB 3.96Å
317	K	98.8	Very high	98.7	Very high	101 Å²	101	65.3 Å²	65.3	44%	0.439	32%	0.319	S	S	.	.	H	α-helix	trans	-83	-21.3	172.2	-70.7	173.9	68.8	175.3	0	112.5	I313 P314 Y315 R325 F327	I313-K317 HydrophobicContact CG2-CD 3.93Å; I313-K317 VanDerWaalsContact O-CG 3.29Å; I313-K317 WeakPolarHBondContact O-CG 3.27Å; I313-K317 PolarHBondContact O-N 3.22Å; P314-K317 WeakPolarHBondContact O-CB 3.33Å; P314-K317 PolarHBondContact O-N 2.99Å; Y315-K317 PolarHBondContact O-N 3.34Å; K317-R325 WeakPolarHBondContact O-CD 3.43Å; K317-R325 VanDerWaalsContact O-CG 3.31Å; K317-R325 WeakPolarHBondContact O-CG 3.37Å; K317-F327 HydrophobicContact CG-CB 4.04Å; K317-F327 HydrophobicContact CG-CD2 4.03Å; K317-F327 HydrophobicContact CG-CG 3.99Å
318	E	98.6	Very high	98.7	Very high	142 Å²	142	67.2 Å²	67.2	66%	0.664	33%	0.327	S	S	*	.	H	α-helix	trans	-94.4	-38.1	177.8	-70.5	172.5	-177.1	0	0	112.3	P314 Y315 I320	P314-E318 WeakPolarHBondContact O-CG 3.47Å; P314-E318 PolarHBondContact O-N 3.11Å; Y315-E318 PolarHBondContact O-N 2.98Å; Y315-E318 VanDerWaalsContact O-N 3.12Å; E318-I320 PolarHBondContact O-N 2.86Å
319	R	98.5	Very high	98.7	Very high	117 Å²	117	70.1 Å²	70.1	44%	0.442	34%	0.34	S	S	.	.			trans	-69.4	125.2	-175.6	-178.9	64	-178.5	-140.2	1.7	111.7	Y315 R325 I326	Y315-R319 HydrophobicContact CD1-CB 4.41Å; Y315-R319 HydrophobicContact CE1-CB 4.04Å; Y315-R319 HydrophobicContact CE1-CG 4.21Å; Y315-R319 WeakPolarHBondContact O-CB 3.34Å; Y315-R319 PolarHBondContact O-N 3.33Å; R319-R325 CarbonylContact O-C 3.53Å; R319-R325 WeakPolarHBondContact O-CA 3.45Å; R319-I326 HydrophobicContact CB-CD1 3.8Å; R319-I326 HydrophobicContact CB-CG1 3.98Å; R319-I326 HydrophobicContact CG-CD1 3.81Å; R319-I326 HydrophobicContact CG-CG1 4.27Å; R319-I326 HydrophobicContact CG-CG2 4.22Å; R319-I326 PolarHBondContact O-N 3.36Å
320	I	98.7	Very high	98.7	Very high	86 Å²	86	75.4 Å²	75.4	44%	0.441	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.2	178.3	-55.5	-57.4	0	0	0	111.2	E318 K324 R325	E318-I320 PolarHBondContact O-N 2.86Å; I320-K324 VanDerWaalsContact CA-O 3.31Å; I320-K324 WeakPolarHBondContact CA-O 3.38Å; I320-R325 HydrophobicContact CD1-CB 4.25Å; I320-R325 HydrophobicContact CD1-CG 3.7Å
321	Q	98.6	Very high	98.7	Very high	90 Å²	90	74.8 Å²	74.8	42%	0.421	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.4	165.3	-71.8	-65.5	-80.2	0	0	109.5	G323 K324 I326	Q321-G323 PolarHBondContact O-N 3.21Å; Q321-G323 VanDerWaalsContact O-N 3.11Å; Q321-K324 PolarHBondContact N-O 3.22Å; Q321-K324 PolarHBondContact O-N 2.95Å; Q321-I326 HydrophobicContact CB-CG2 3.92Å; Q321-I326 HydrophobicContact CG-CG2 3.95Å
322	F	98.3	Very high	98.7	Very high	182 Å²	182	71.4 Å²	71.4	80%	0.798	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	37.4	-175.5	-47.1	-86.3	0	0	0	113.3	K324 F329	F322-K324 PolarHBondContact O-N 3.38Å; F322-F329 HydrophobicContact CB-CZ 4.06Å; F322-F329 HydrophobicContact CD2-CE1 4.22Å; F322-F329 AromaticContact CD2-CZ 3.7Å; F322-F329 HydrophobicContact CD2-CZ 3.7Å; F322-F329 HydrophobicContact CG-CZ 4.31Å
323	G	98.4	Very high	98.7	Very high	76 Å²	76	74.9 Å²	74.9	78%	0.784	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	4.9	175.9	0	0	0	0	0	116.8	Q321	Q321-G323 PolarHBondContact O-N 3.21Å; Q321-G323 VanDerWaalsContact O-N 3.11Å
324	K	98.4	Very high	98.7	Very high	83 Å²	83	78.8 Å²	78.8	36%	0.361	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	167.9	176.2	63.7	-179.3	-177.3	167.6	0	112.4	I320 Q321 F322 D328 F329	I320-K324 VanDerWaalsContact CA-O 3.31Å; I320-K324 WeakPolarHBondContact CA-O 3.38Å; Q321-K324 PolarHBondContact N-O 3.22Å; Q321-K324 PolarHBondContact O-N 2.95Å; F322-K324 PolarHBondContact O-N 3.38Å; K324-D328 HydrophobicContact CB-CB 4.34Å; K324-D328 HydrophobicContact CD-CB 3.89Å; K324-D328 HydrophobicContact CG-CB 4.26Å; K324-D328 PolarHBondContact NZ-O 2.96Å; K324-F329 HydrophobicContact CD-CE1 4.41Å; K324-F329 HydrophobicContact CD-CZ 4.28Å; K324-F329 HydrophobicContact CG-CE1 4.48Å; K324-F329 HydrophobicContact CG-CE2 4.06Å; K324-F329 HydrophobicContact CG-CZ 3.88Å
325	R	98.8	Very high	98.7	Very high	93 Å²	93	78.8 Å²	78.8	35%	0.351	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	144.5	176.2	-54.3	174.4	-64.9	172.9	11.6	109.1	K317 R319 I320 F327 D328	K317-R325 WeakPolarHBondContact O-CD 3.43Å; K317-R325 VanDerWaalsContact O-CG 3.31Å; K317-R325 WeakPolarHBondContact O-CG 3.37Å; R319-R325 CarbonylContact O-C 3.53Å; R319-R325 WeakPolarHBondContact O-CA 3.45Å; I320-R325 HydrophobicContact CD1-CB 4.25Å; I320-R325 HydrophobicContact CD1-CG 3.7Å; R325-F327 HydrophobicContact CB-CB 4.46Å; R325-F327 PolarHBondContact O-N 3.31Å; R325-D328 WeakPolarHBondContact CB-OD2 3.34Å; R325-D328 IonicContact CZ-OD1 3.34Å; R325-D328 IonicContact CZ-OD2 2.83Å; R325-D328 IonicContact NE-OD1 3.86Å; R325-D328 PolarHBondContact NE-OD1 3.34Å; R325-D328 IonicContact NE-OD2 2.68Å; R325-D328 PolarHBondContact NE-OD2 2.97Å; R325-D328 IonicContact NH2-OD1 3.35Å; R325-D328 PolarHBondContact NH2-OD1 3.49Å; R325-D328 IonicContact NH2-OD2 3.4Å; R325-D328 WeakPolarHBondContact O-CB 3.31Å; R325-D328 PolarHBondContact O-N 3.27Å
326	I	98.8	Very high	98.7	Very high	19 Å²	19	77.7 Å²	77.7	10%	0.097	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-65.6	-23.8	176.1	61.1	174.1	0	0	0	111.7	Y315 I316 R319 Q321 D328 F329 L332 W388	Y315-I326 HydrophobicContact CD1-CD1 4.49Å; Y315-I326 HydrophobicContact CE1-CD1 4.26Å; I316-I326 HydrophobicContact CB-CD1 3.93Å; I316-I326 HydrophobicContact CB-CG1 3.72Å; I316-I326 HydrophobicContact CG2-CD1 3.73Å; I316-I326 HydrophobicContact CG2-CG1 4.1Å; I316-I326 VanDerWaalsContact O-CG1 3.22Å; I316-I326 WeakPolarHBondContact O-CG1 3.28Å; I316-I326 PolarHBondContact O-N 2.88Å; R319-I326 HydrophobicContact CB-CD1 3.8Å; R319-I326 HydrophobicContact CB-CG1 3.98Å; R319-I326 HydrophobicContact CG-CD1 3.81Å; R319-I326 HydrophobicContact CG-CG1 4.27Å; R319-I326 HydrophobicContact CG-CG2 4.22Å; R319-I326 PolarHBondContact O-N 3.36Å; Q321-I326 HydrophobicContact CB-CG2 3.92Å; Q321-I326 HydrophobicContact CG-CG2 3.95Å; I326-D328 PolarHBondContact O-N 3.11Å; I326-F329 HydrophobicContact CB-CD2 4.41Å; I326-F329 HydrophobicContact CG2-CE2 4.29Å; I326-F329 WeakPolarHBondContact O-CD2 3.49Å; I326-F329 PolarHBondContact O-N 3.03Å; I326-L332 HydrophobicContact CB-CD1 4.44Å; I326-W388 WeakPolarHBondContact CD1-O 3.36Å
327	F	98.8	Very high	98.7	Very high	51 Å²	51	80.3 Å²	80.3	22%	0.224	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-60.1	-24.1	166.4	-167.6	-87.7	0	0	0	114	I316 K317 R325 F329 Q333 V336	I316-F327 HydrophobicContact CD1-CD2 3.6Å; I316-F327 HydrophobicContact CD1-CE2 4.29Å; I316-F327 HydrophobicContact CG1-CB 4.37Å; I316-F327 HydrophobicContact CG1-CD2 3.94Å; I316-F327 WeakPolarHBondContact O-CB 3.45Å; I316-F327 PolarHBondContact O-N 3.18Å; K317-F327 HydrophobicContact CG-CB 4.04Å; K317-F327 HydrophobicContact CG-CD2 4.03Å; K317-F327 HydrophobicContact CG-CG 3.99Å; R325-F327 HydrophobicContact CB-CB 4.46Å; R325-F327 PolarHBondContact O-N 3.31Å; F327-F329 VanDerWaalsContact C-N 3.29Å; F327-F329 PolarHBondContact O-N 3.48Å; F327-Q333 HydrophobicContact CD1-CG 4.42Å; F327-Q333 HydrophobicContact CE1-CG 4.27Å; F327-Q333 VanDerWaalsContact O-CD 3.3Å; F327-Q333 WeakPolarHBondContact O-CG 3.37Å; F327-Q333 PolarHBondContact O-NE2 3.36Å; F327-V336 HydrophobicContact CE2-CG1 4.21Å
328	D	98.8	Very high	98.7	Very high	49 Å²	49	81.2 Å²	81.2	26%	0.262	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-87.6	7.4	-176.3	-61.1	-33.4	0	0	0	113.3	K324 R325 I326	K324-D328 HydrophobicContact CB-CB 4.34Å; K324-D328 HydrophobicContact CD-CB 3.89Å; K324-D328 HydrophobicContact CG-CB 4.26Å; K324-D328 PolarHBondContact NZ-O 2.96Å; R325-D328 WeakPolarHBondContact CB-OD2 3.34Å; R325-D328 IonicContact CZ-OD1 3.34Å; R325-D328 IonicContact CZ-OD2 2.83Å; R325-D328 IonicContact NE-OD1 3.86Å; R325-D328 PolarHBondContact NE-OD1 3.34Å; R325-D328 IonicContact NE-OD2 2.68Å; R325-D328 PolarHBondContact NE-OD2 2.97Å; R325-D328 IonicContact NH2-OD1 3.35Å; R325-D328 PolarHBondContact NH2-OD1 3.49Å; R325-D328 IonicContact NH2-OD2 3.4Å; R325-D328 WeakPolarHBondContact O-CB 3.31Å; R325-D328 PolarHBondContact O-N 3.27Å; I326-D328 PolarHBondContact O-N 3.11Å
329	F	98.8	Very high	98.7	Very high	61 Å²	61	74.6 Å²	74.6	27%	0.268	38%	0.381	S	S	.	.	S	Bend	trans	-88.3	119.6	167.5	-64.4	-82.4	0	0	0	109.6	F322 K324 I326 F327 A331 L332 Q333	F322-F329 HydrophobicContact CB-CZ 4.06Å; F322-F329 HydrophobicContact CD2-CE1 4.22Å; F322-F329 AromaticContact CD2-CZ 3.7Å; F322-F329 HydrophobicContact CD2-CZ 3.7Å; F322-F329 HydrophobicContact CG-CZ 4.31Å; K324-F329 HydrophobicContact CD-CE1 4.41Å; K324-F329 HydrophobicContact CD-CZ 4.28Å; K324-F329 HydrophobicContact CG-CE1 4.48Å; K324-F329 HydrophobicContact CG-CE2 4.06Å; K324-F329 HydrophobicContact CG-CZ 3.88Å; I326-F329 HydrophobicContact CB-CD2 4.41Å; I326-F329 HydrophobicContact CG2-CE2 4.29Å; I326-F329 WeakPolarHBondContact O-CD2 3.49Å; I326-F329 PolarHBondContact O-N 3.03Å; F327-F329 VanDerWaalsContact C-N 3.29Å; F327-F329 PolarHBondContact O-N 3.48Å; F329-A331 VanDerWaalsContact C-N 3.25Å; F329-A331 PolarHBondContact O-N 3.44Å; F329-L332 HydrophobicContact CB-CB 4.39Å; F329-L332 WeakPolarHBondContact O-CA 3.37Å; F329-L332 WeakPolarHBondContact O-CB 3.38Å; F329-L332 PolarHBondContact O-N 2.89Å; F329-Q333 PolarHBondContact O-N 3.4Å
330	Q	98.8	Very high	98.7	Very high	132 Å²	132	71 Å²	71	62%	0.617	38%	0.376	S	S	*	.	H	α-helix	trans	-53.8	-40.7	-176.7	-175.4	-179.1	50.4	0	0	113	L332 Q333 H334	Q330-L332 PolarHBondContact O-N 3.35Å; Q330-Q333 PolarHBondContact O-N 3.4Å; Q330-Q333 VanDerWaalsContact O-N 3.16Å; Q330-H334 WeakPolarHBondContact CG-NE2 3.37Å; Q330-H334 PolarHBondContact O-CD2 3.31Å; Q330-H334 PolarHBondContact O-N 2.83Å
331	A	98.6	Very high	98.8	Very high	67 Å²	67	71.7 Å²	71.7	55%	0.554	38%	0.384	S	S	*	.	H	α-helix	trans	-59.7	-34.9	176.9	0	0	0	0	0	112.8	F329 Q335	F329-A331 VanDerWaalsContact C-N 3.25Å; F329-A331 PolarHBondContact O-N 3.44Å; A331-Q335 WeakPolarHBondContact O-CG 3.15Å; A331-Q335 PolarHBondContact O-NE2 3Å
332	L	98.7	Very high	98.8	Very high	23 Å²	23	69.1 Å²	69.1	12%	0.12	37%	0.372	C	S	.	.	H	α-helix	trans	-75.9	-40.6	175.5	-165.9	150.9	0	0	0	110.8	I316 I326 F329 Q330 H334 Q335 V336 W388	I316-L332 HydrophobicContact CD1-CD2 3.69Å; I326-L332 HydrophobicContact CB-CD1 4.44Å; F329-L332 HydrophobicContact CB-CB 4.39Å; F329-L332 WeakPolarHBondContact O-CA 3.37Å; F329-L332 WeakPolarHBondContact O-CB 3.38Å; F329-L332 PolarHBondContact O-N 2.89Å; Q330-L332 PolarHBondContact O-N 3.35Å; L332-H334 VanDerWaalsContact C-N 3.32Å; L332-H334 PolarHBondContact O-N 3.18Å; L332-Q335 PolarHBondContact O-N 3.42Å; L332-Q335 VanDerWaalsContact O-N 3.16Å; L332-V336 HydrophobicContact CD2-CG2 3.71Å; L332-V336 WeakPolarHBondContact O-CG2 3.46Å; L332-V336 PolarHBondContact O-N 2.91Å; L332-W388 HydrophobicContact CD1-CG 4.5Å
333	Q	98.9	Very high	98.8	Very high	72 Å²	72	60.7 Å²	60.7	34%	0.336	34%	0.335	S	S	.	.	H	α-helix	trans	-59	-40.7	175.6	-66.1	-179.8	-20.3	0	0	112.7	F327 F329 Q330 Q335 V336 A337	F327-Q333 HydrophobicContact CD1-CG 4.42Å; F327-Q333 HydrophobicContact CE1-CG 4.27Å; F327-Q333 VanDerWaalsContact O-CD 3.3Å; F327-Q333 WeakPolarHBondContact O-CG 3.37Å; F327-Q333 PolarHBondContact O-NE2 3.36Å; F329-Q333 PolarHBondContact O-N 3.4Å; Q330-Q333 PolarHBondContact O-N 3.4Å; Q330-Q333 VanDerWaalsContact O-N 3.16Å; Q333-Q335 VanDerWaalsContact C-N 3.33Å; Q333-Q335 PolarHBondContact O-N 2.99Å; Q333-V336 PolarHBondContact O-N 2.83Å; Q333-A337 WeakPolarHBondContact O-CB 3.14Å; Q333-A337 PolarHBondContact O-N 3.34Å
334	H	98.9	Very high	98.8	Very high	114 Å²	114	60.4 Å²	60.4	53%	0.528	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-41.5	176.1	-68.5	176.6	0	0	0	111.9	Q330 L332 A337 Q338	Q330-H334 WeakPolarHBondContact CG-NE2 3.37Å; Q330-H334 PolarHBondContact O-CD2 3.31Å; Q330-H334 PolarHBondContact O-N 2.83Å; L332-H334 VanDerWaalsContact C-N 3.32Å; L332-H334 PolarHBondContact O-N 3.18Å; H334-A337 PolarHBondContact O-N 3.48Å; H334-Q338 WeakPolarHBondContact O-CB 3.32Å; H334-Q338 PolarHBondContact O-N 3.49Å
335	Q	98.9	Very high	98.9	Very high	61 Å²	61	58 Å²	58	29%	0.285	31%	0.309	S	S	.	.	H	α-helix	trans	-66	-43.7	176.5	-65	173.5	42.3	0	0	111.4	A331 L332 Q333 A337 Q338 V339 W388	A331-Q335 WeakPolarHBondContact O-CG 3.15Å; A331-Q335 PolarHBondContact O-NE2 3Å; L332-Q335 PolarHBondContact O-N 3.42Å; L332-Q335 VanDerWaalsContact O-N 3.16Å; Q333-Q335 VanDerWaalsContact C-N 3.33Å; Q333-Q335 PolarHBondContact O-N 2.99Å; Q335-A337 PolarHBondContact O-N 3.45Å; Q335-Q338 PolarHBondContact O-N 2.79Å; Q335-V339 WeakPolarHBondContact O-CB 3.06Å; Q335-V339 WeakPolarHBondContact O-CG2 3.23Å; Q335-V339 PolarHBondContact O-N 3.4Å; Q335-W388 HydrophobicContact CB-CZ2 3.75Å
336	V	98.9	Very high	98.9	Very high	13 Å²	13	53.6 Å²	53.6	8%	0.079	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-46.6	175.5	169.4	0	0	0	0	111	F309 I313 I316 F327 L332 Q333 V339 A340 W388	F309-V336 HydrophobicContact CE2-CG1 4.12Å; F309-V336 HydrophobicContact CZ-CG1 3.88Å; I313-V336 HydrophobicContact CD1-CG1 3.73Å; I313-V336 HydrophobicContact CD1-CG2 4.15Å; I316-V336 HydrophobicContact CD1-CG2 3.84Å; F327-V336 HydrophobicContact CE2-CG1 4.21Å; L332-V336 HydrophobicContact CD2-CG2 3.71Å; L332-V336 WeakPolarHBondContact O-CG2 3.46Å; L332-V336 PolarHBondContact O-N 2.91Å; Q333-V336 PolarHBondContact O-N 2.83Å; V336-V339 PolarHBondContact O-N 2.95Å; V336-A340 WeakPolarHBondContact O-CB 3.37Å; V336-A340 PolarHBondContact O-N 3.04Å; V336-W388 HydrophobicContact CB-CH2 4.45Å; V336-W388 HydrophobicContact CG2-CD2 4.47Å; V336-W388 HydrophobicContact CG2-CE3 4.25Å; V336-W388 HydrophobicContact CG2-CH2 3.91Å; V336-W388 HydrophobicContact CG2-CZ2 4.13Å; V336-W388 HydrophobicContact CG2-CZ3 3.98Å
337	A	98.9	Very high	98.9	Very high	54 Å²	54	54.1 Å²	54.1	45%	0.446	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-44.7	178.8	0	0	0	0	0	111.6	Q333 H334 Q335 A340 T341	Q333-A337 WeakPolarHBondContact O-CB 3.14Å; Q333-A337 PolarHBondContact O-N 3.34Å; H334-A337 PolarHBondContact O-N 3.48Å; Q335-A337 PolarHBondContact O-N 3.45Å; A337-A340 PolarHBondContact O-N 3.05Å; A337-T341 PolarHBondContact O-N 3.33Å; A337-T341 PolarHBondContact O-OG1 2.96Å; A337-T341 VanDerWaalsContact O-OG1 3.05Å
338	Q	98.9	Very high	98.9	Very high	120 Å²	120	54.7 Å²	54.7	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-60.7	-47.4	177.5	-177.6	176.4	3.6	0	0	112	H334 Q335 T341 Q342	H334-Q338 WeakPolarHBondContact O-CB 3.32Å; H334-Q338 PolarHBondContact O-N 3.49Å; Q335-Q338 PolarHBondContact O-N 2.79Å; Q338-T341 PolarHBondContact O-N 2.97Å; Q338-Q342 VanDerWaalsContact O-CG 3.32Å; Q338-Q342 WeakPolarHBondContact O-CG 3.45Å; Q338-Q342 PolarHBondContact O-N 3.35Å
339	V	98.9	Very high	98.9	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-43.4	177.9	167.6	0	0	0	0	111	F309 Q335 V336 T341 Q342 L343 T381 K384 W388	F309-V339 HydrophobicContact CD2-CG1 3.65Å; F309-V339 HydrophobicContact CE2-CB 4.29Å; F309-V339 HydrophobicContact CE2-CG1 3.79Å; Q335-V339 WeakPolarHBondContact O-CB 3.06Å; Q335-V339 WeakPolarHBondContact O-CG2 3.23Å; Q335-V339 PolarHBondContact O-N 3.4Å; V336-V339 PolarHBondContact O-N 2.95Å; V339-T341 VanDerWaalsContact C-N 3.34Å; V339-T341 PolarHBondContact O-N 2.79Å; V339-Q342 PolarHBondContact O-N 3.36Å; V339-L343 HydrophobicContact CG1-CD1 4.21Å; V339-L343 HydrophobicContact CG1-CG 4.5Å; V339-L343 WeakPolarHBondContact O-CG 3.45Å; V339-L343 PolarHBondContact O-N 3.47Å; V339-T381 HydrophobicContact CG1-CG2 3.7Å; V339-K384 HydrophobicContact CG2-CB 4.47Å; V339-K384 HydrophobicContact CG2-CG 4.42Å; V339-W388 HydrophobicContact CB-CH2 3.9Å; V339-W388 HydrophobicContact CG1-CH2 4.15Å; V339-W388 HydrophobicContact CG2-CH2 3.77Å; V339-W388 HydrophobicContact CG2-CZ2 4.01Å
340	A	98.9	Very high	98.9	Very high	41 Å²	41	52.2 Å²	52.2	34%	0.339	29%	0.288	S	S	.	.	H	α-helix	trans	-60.6	-41.5	176.9	0	0	0	0	0	112.3	F309 V336 A337 L343 E344	F309-A340 HydrophobicContact CZ-CB 3.98Å; V336-A340 WeakPolarHBondContact O-CB 3.37Å; V336-A340 PolarHBondContact O-N 3.04Å; A337-A340 PolarHBondContact O-N 3.05Å; A340-L343 PolarHBondContact O-N 3.44Å; A340-E344 PolarHBondContact O-N 3.2Å; A340-E344 VanDerWaalsContact O-N 3.09Å
341	T	98.9	Very high	98.9	Very high	101 Å²	101	46.2 Å²	46.2	62%	0.62	26%	0.26	S	S	*	.	H	α-helix	trans	-62.6	-41.5	174.5	-59	0	0	0	0	111.9	A337 Q338 V339 E344 A345	A337-T341 PolarHBondContact O-N 3.33Å; A337-T341 PolarHBondContact O-OG1 2.96Å; A337-T341 VanDerWaalsContact O-OG1 3.05Å; Q338-T341 PolarHBondContact O-N 2.97Å; V339-T341 VanDerWaalsContact C-N 3.34Å; V339-T341 PolarHBondContact O-N 2.79Å; T341-E344 PolarHBondContact O-N 3.12Å; T341-A345 PolarHBondContact O-N 2.96Å
342	Q	98.9	Very high	98.9	Very high	36 Å²	36	46.2 Å²	46.2	17%	0.168	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-39.7	178.7	-72.1	171.2	-37	0	0	112.3	Q338 V339 E344 A345 A346 V377	Q338-Q342 VanDerWaalsContact O-CG 3.32Å; Q338-Q342 WeakPolarHBondContact O-CG 3.45Å; Q338-Q342 PolarHBondContact O-N 3.35Å; V339-Q342 PolarHBondContact O-N 3.36Å; Q342-E344 VanDerWaalsContact C-N 3.32Å; Q342-E344 PolarHBondContact O-N 3.09Å; Q342-A345 PolarHBondContact O-N 2.95Å; Q342-A346 WeakPolarHBondContact O-CB 3.24Å; Q342-A346 PolarHBondContact O-N 3.09Å; Q342-V377 HydrophobicContact CB-CG1 3.77Å; Q342-V377 HydrophobicContact CB-CG2 3.87Å; Q342-V377 HydrophobicContact CG-CG2 4.47Å
343	L	98.9	Very high	98.9	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-43.6	173.2	-74.5	172	0	0	0	111.4	L302 A305 F309 V339 A340 A346 R347 V377 T381	L302-L343 HydrophobicContact CD1-CD2 4.47Å; A305-L343 HydrophobicContact CB-CD2 3.52Å; F309-L343 HydrophobicContact CB-CD1 3.94Å; F309-L343 HydrophobicContact CD1-CD1 4.28Å; F309-L343 HydrophobicContact CD2-CD1 4.1Å; F309-L343 HydrophobicContact CG-CD1 3.86Å; V339-L343 HydrophobicContact CG1-CD1 4.21Å; V339-L343 HydrophobicContact CG1-CG 4.5Å; V339-L343 WeakPolarHBondContact O-CG 3.45Å; V339-L343 PolarHBondContact O-N 3.47Å; A340-L343 PolarHBondContact O-N 3.44Å; L343-A346 PolarHBondContact O-N 3.3Å; L343-R347 PolarHBondContact O-N 3.49Å; L343-V377 HydrophobicContact CD2-CG1 4.24Å; L343-T381 HydrophobicContact CD1-CG2 4.44Å
344	E	98.9	Very high	98.9	Very high	70 Å²	70	41.7 Å²	41.7	33%	0.327	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-43.3	177.7	-172.4	62.1	-173.3	0	0	112	A340 T341 Q342 A346 R347 L348	A340-E344 PolarHBondContact O-N 3.2Å; A340-E344 VanDerWaalsContact O-N 3.09Å; T341-E344 PolarHBondContact O-N 3.12Å; Q342-E344 VanDerWaalsContact C-N 3.32Å; Q342-E344 PolarHBondContact O-N 3.09Å; E344-A346 VanDerWaalsContact C-N 3.32Å; E344-A346 PolarHBondContact O-N 3.45Å; E344-R347 WeakPolarHBondContact O-CB 3.49Å; E344-R347 PolarHBondContact O-N 2.9Å; E344-R347 IonicContact OE2-CZ 3.78Å; E344-R347 IonicContact OE2-NH1 2.77Å; E344-R347 PolarHBondContact OE2-NH1 3.13Å; E344-L348 HydrophobicContact CG-CD1 4.5Å; E344-L348 WeakPolarHBondContact O-CG 3.45Å; E344-L348 PolarHBondContact O-N 3.41Å
345	A	98.9	Very high	98.8	Very high	33 Å²	33	39.2 Å²	39.2	27%	0.273	22%	0.215	S	C	.	.	H	α-helix	trans	-60	-42	174.5	0	0	0	0	0	112.2	T341 Q342 R347 L348 L349 Y373	T341-A345 PolarHBondContact O-N 2.96Å; Q342-A345 PolarHBondContact O-N 2.95Å; A345-R347 VanDerWaalsContact C-N 3.34Å; A345-R347 PolarHBondContact O-N 3.49Å; A345-L348 PolarHBondContact O-N 3.38Å; A345-L349 WeakPolarHBondContact O-CG 3.48Å; A345-L349 PolarHBondContact O-N 3.01Å; A345-Y373 HydrophobicContact CB-CE1 3.77Å
346	A	98.9	Very high	98.8	Very high	1 Å²	1	38 Å²	38	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-39.7	176	0	0	0	0	0	112.3	L302 Q342 L343 E344 T350 Y373 A374	L302-A346 HydrophobicContact CD1-CB 4.28Å; Q342-A346 WeakPolarHBondContact O-CB 3.24Å; Q342-A346 PolarHBondContact O-N 3.09Å; L343-A346 PolarHBondContact O-N 3.3Å; E344-A346 VanDerWaalsContact C-N 3.32Å; E344-A346 PolarHBondContact O-N 3.45Å; A346-T350 WeakPolarHBondContact O-CB 3.47Å; A346-T350 PolarHBondContact O-N 3.22Å; A346-T350 PolarHBondContact O-OG1 3.45Å; A346-Y373 HydrophobicContact CB-CD1 3.82Å; A346-Y373 HydrophobicContact CB-CE1 4.08Å; A346-A374 HydrophobicContact CB-CB 4.15Å
347	R	98.9	Very high	98.8	Very high	30 Å²	30	38.6 Å²	38.6	11%	0.113	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-50.4	175.1	-176.9	173.1	-65.7	102	7.4	112.1	E126 L302 L343 E344 A345 L349 T350 Y351	E126-R347 IonicContact OE1-NH2 2.79Å; L302-R347 HydrophobicContact CD1-CB 4.05Å; L302-R347 HydrophobicContact CD2-CB 3.8Å; L302-R347 HydrophobicContact CD2-CG 4Å; L343-R347 PolarHBondContact O-N 3.49Å; E344-R347 WeakPolarHBondContact O-CB 3.49Å; E344-R347 PolarHBondContact O-N 2.9Å; E344-R347 IonicContact OE2-CZ 3.78Å; E344-R347 IonicContact OE2-NH1 2.77Å; E344-R347 PolarHBondContact OE2-NH1 3.13Å; A345-R347 VanDerWaalsContact C-N 3.34Å; A345-R347 PolarHBondContact O-N 3.49Å; R347-L349 PolarHBondContact O-N 2.93Å; R347-T350 PolarHBondContact O-N 2.88Å; R347-Y351 HydrophobicContact CG-CD1 4.36Å; R347-Y351 HydrophobicContact CG-CD2 3.94Å; R347-Y351 HydrophobicContact CG-CE1 4.1Å; R347-Y351 HydrophobicContact CG-CE2 3.68Å; R347-Y351 HydrophobicContact CG-CG 4.28Å; R347-Y351 WeakPolarHBondContact O-CB 3.31Å; R347-Y351 PolarHBondContact O-N 3.21Å
348	L	98.9	Very high	98.6	Very high	62 Å²	62	39.5 Å²	39.5	33%	0.325	21%	0.209	S	C	.	.	H	α-helix	trans	-63.7	-40.5	-179.2	-61.6	177.7	0	0	0	111.9	L54 E344 A345 N352	L54-L348 HydrophobicContact CB-CD2 3.93Å; L54-L348 HydrophobicContact CD1-CB 4.19Å; L54-L348 HydrophobicContact CD1-CD2 4.03Å; E344-L348 HydrophobicContact CG-CD1 4.5Å; E344-L348 WeakPolarHBondContact O-CG 3.45Å; E344-L348 PolarHBondContact O-N 3.41Å; A345-L348 PolarHBondContact O-N 3.38Å; L348-N352 WeakPolarHBondContact O-CB 3.39Å; L348-N352 PolarHBondContact O-N 2.87Å
349	L	98.9	Very high	98.5	Very high	58 Å²	58	37 Å²	37	30%	0.304	21%	0.209	S	C	.	.	H	α-helix	trans	-60.3	-47	174.3	-73.7	170.3	0	0	0	111.9	A345 R347 A353 A370 Y373	A345-L349 WeakPolarHBondContact O-CG 3.48Å; A345-L349 PolarHBondContact O-N 3.01Å; R347-L349 PolarHBondContact O-N 2.93Å; L349-A353 WeakPolarHBondContact O-CB 3.36Å; L349-A353 PolarHBondContact O-N 2.91Å; L349-A370 HydrophobicContact CB-CB 4.1Å; L349-Y373 HydrophobicContact CD1-CD1 3.74Å; L349-Y373 HydrophobicContact CD1-CD2 4.44Å; L349-Y373 HydrophobicContact CD1-CE1 4.48Å; L349-Y373 HydrophobicContact CD1-CG 3.71Å
350	T	98.9	Very high	98.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-49.8	-179	-56.9	0	0	0	0	111.3	V122 I295 A298 A299 A346 R347 A353 A354	V122-T350 HydrophobicContact CG1-CG2 3.94Å; I295-T350 HydrophobicContact CG2-CG2 4.27Å; A298-T350 HydrophobicContact CB-CG2 3.92Å; A299-T350 HydrophobicContact CB-CG2 4.2Å; A346-T350 WeakPolarHBondContact O-CB 3.47Å; A346-T350 PolarHBondContact O-N 3.22Å; A346-T350 PolarHBondContact O-OG1 3.45Å; R347-T350 PolarHBondContact O-N 2.88Å; T350-A353 PolarHBondContact O-N 2.78Å; T350-A354 PolarHBondContact O-N 2.96Å; T350-A354 VanDerWaalsContact O-N 3.07Å
351	Y	98.8	Very high	98.3	Very high	7 Å²	7	45.8 Å²	45.8	3%	0.027	25%	0.254	C	S	.	.	H	α-helix	trans	-66.5	-39.9	-178.6	-74.5	10	0	0	0	111.8	F119 V122 I123 E126 L302 R347 A354 R355	F119-Y351 HydrophobicContact CE2-CD1 4.17Å; F119-Y351 HydrophobicContact CE2-CD2 4.22Å; F119-Y351 AromaticContact CE2-CG 3.78Å; F119-Y351 HydrophobicContact CE2-CG 3.78Å; F119-Y351 HydrophobicContact CZ-CD1 4.03Å; F119-Y351 AromaticContact CZ-CD2 3.68Å; F119-Y351 HydrophobicContact CZ-CD2 3.68Å; F119-Y351 HydrophobicContact CZ-CE1 4.39Å; F119-Y351 HydrophobicContact CZ-CE2 4.05Å; F119-Y351 AromaticContact CZ-CG 3.66Å; F119-Y351 HydrophobicContact CZ-CG 3.66Å; V122-Y351 HydrophobicContact CG1-CD1 4.3Å; V122-Y351 HydrophobicContact CG1-CE1 4.39Å; I123-Y351 HydrophobicContact CD1-CE1 3.94Å; I123-Y351 HydrophobicContact CD1-CE2 4.34Å; I123-Y351 WeakPolarHBondContact CD1-OH 3.45Å; E126-Y351 WeakPolarHBondContact OE2-CE1 3.47Å; E126-Y351 PolarHBondContact OE2-OH 3.18Å; L302-Y351 HydrophobicContact CD2-CE1 4.46Å; R347-Y351 HydrophobicContact CG-CD1 4.36Å; R347-Y351 HydrophobicContact CG-CD2 3.94Å; R347-Y351 HydrophobicContact CG-CE1 4.1Å; R347-Y351 HydrophobicContact CG-CE2 3.68Å; R347-Y351 HydrophobicContact CG-CG 4.28Å; R347-Y351 WeakPolarHBondContact O-CB 3.31Å; R347-Y351 PolarHBondContact O-N 3.21Å; Y351-A354 PolarHBondContact O-N 3.42Å; Y351-R355 WeakPolarHBondContact O-CG 3.42Å; Y351-R355 PolarHBondContact O-N 2.83Å
352	N	98.8	Very high	98.2	Very high	67 Å²	67	46.2 Å²	46.2	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-43.7	175.6	-173.9	65.7	0	0	0	111.7	L54 L348 A354 R355 L356	L54-N352 HydrophobicContact CD1-CB 3.9Å; L54-N352 HydrophobicContact CD2-CB 4.4Å; L348-N352 WeakPolarHBondContact O-CB 3.39Å; L348-N352 PolarHBondContact O-N 2.87Å; N352-A354 VanDerWaalsContact C-N 3.3Å; N352-A354 PolarHBondContact O-N 3.19Å; N352-R355 PolarHBondContact O-N 3.15Å; N352-L356 WeakPolarHBondContact O-CG 3.48Å; N352-L356 PolarHBondContact O-N 3.48Å
353	A	98.8	Very high	98.2	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-42.3	176	0	0	0	0	0	111.5	I295 L349 T350 L356 V357 E366 A370	I295-A353 HydrophobicContact CD1-CB 3.93Å; I295-A353 HydrophobicContact CG1-CB 4.01Å; I295-A353 HydrophobicContact CG2-CB 4.44Å; L349-A353 WeakPolarHBondContact O-CB 3.36Å; L349-A353 PolarHBondContact O-N 2.91Å; T350-A353 PolarHBondContact O-N 2.78Å; A353-L356 PolarHBondContact O-N 3.12Å; A353-V357 WeakPolarHBondContact O-CG2 3.42Å; A353-V357 PolarHBondContact O-N 3.47Å; A353-E366 HydrophobicContact CB-CB 4.18Å; A353-A370 HydrophobicContact CB-CB 4.41Å
354	A	98.6	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-45.8	175.8	0	0	0	0	0	112.6	F118 F119 V122 I295 T350 Y351 N352 L356 V357 E358	F118-A354 HydrophobicContact CD1-CB 4.13Å; F118-A354 HydrophobicContact CE1-CB 4.16Å; F119-A354 HydrophobicContact CD2-CB 3.72Å; F119-A354 HydrophobicContact CE2-CB 4.36Å; V122-A354 HydrophobicContact CB-CB 4.48Å; V122-A354 HydrophobicContact CG2-CB 3.93Å; I295-A354 HydrophobicContact CG2-CB 4.16Å; T350-A354 PolarHBondContact O-N 2.96Å; T350-A354 VanDerWaalsContact O-N 3.07Å; Y351-A354 PolarHBondContact O-N 3.42Å; N352-A354 VanDerWaalsContact C-N 3.3Å; N352-A354 PolarHBondContact O-N 3.19Å; A354-L356 VanDerWaalsContact C-N 3.3Å; A354-L356 PolarHBondContact O-N 3.32Å; A354-V357 WeakPolarHBondContact O-CB 3.28Å; A354-V357 PolarHBondContact O-N 3.5Å; A354-E358 PolarHBondContact O-N 3.38Å
355	R	98	Very high	98.2	Very high	62 Å²	62	46.5 Å²	46.5	23%	0.234	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-32.1	176.9	-67.2	-64.8	-172.2	-156.2	-0.8	112.8	L54 E61 F119 Y351 N352 E358 A359	L54-R355 HydrophobicContact CD2-CG 4.3Å; E61-R355 VanDerWaalsContact CD-NH2 3.31Å; E61-R355 IonicContact OE1-CZ 2.73Å; E61-R355 IonicContact OE1-NH1 3.54Å; E61-R355 PolarHBondContact OE1-NH1 3.11Å; E61-R355 IonicContact OE1-NH2 3.61Å; E61-R355 PolarHBondContact OE1-NH2 3Å; E61-R355 VanDerWaalsContact OE1-NH2 3.08Å; E61-R355 IonicContact OE2-CZ 3.9Å; E61-R355 IonicContact OE2-NH1 3.08Å; E61-R355 IonicContact OE2-NH2 3.33Å; E61-R355 PolarHBondContact OE2-NH2 2.95Å; F119-R355 HydrophobicContact CD2-CG 3.91Å; F119-R355 HydrophobicContact CE2-CG 4.01Å; Y351-R355 WeakPolarHBondContact O-CG 3.42Å; Y351-R355 PolarHBondContact O-N 2.83Å; N352-R355 PolarHBondContact O-N 3.15Å; R355-E358 WeakPolarHBondContact CD-OE2 3.49Å; R355-E358 IonicContact CZ-OE2 3.91Å; R355-E358 IonicContact NH1-OE2 3.9Å; R355-E358 PolarHBondContact NH1-OE2 3.28Å; R355-E358 PolarHBondContact O-N 3.48Å; R355-A359 WeakPolarHBondContact O-CB 3.42Å; R355-A359 PolarHBondContact O-N 2.87Å
356	L	98.4	Very high	98.2	Very high	34 Å²	34	47 Å²	47	18%	0.178	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-38.7	173.7	-73.8	168.9	0	0	0	112.1	N352 A353 A354 A359 G360 R361 F363 E366	N352-L356 WeakPolarHBondContact O-CG 3.48Å; N352-L356 PolarHBondContact O-N 3.48Å; A353-L356 PolarHBondContact O-N 3.12Å; A354-L356 VanDerWaalsContact C-N 3.3Å; A354-L356 PolarHBondContact O-N 3.32Å; L356-A359 PolarHBondContact O-N 3.06Å; L356-G360 PolarHBondContact O-N 3.36Å; L356-R361 HydrophobicContact CB-CB 4.4Å; L356-R361 HydrophobicContact CD2-CB 3.7Å; L356-R361 HydrophobicContact CD2-CG 4.25Å; L356-R361 PolarHBondContact O-N 3.45Å; L356-F363 HydrophobicContact CB-CB 3.81Å; L356-E366 HydrophobicContact CD1-CB 3.85Å; L356-E366 HydrophobicContact CD1-CG 3.53Å
357	V	97.5	Very high	98.2	Very high	26 Å²	26	47 Å²	47	16%	0.158	26%	0.256	C	S	.	.	H	α-helix	trans	-58.7	-50.2	172.8	174.9	0	0	0	0	110.2	F118 I295 A353 A354 A359 G360 F363	F118-V357 HydrophobicContact CD1-CB 3.94Å; F118-V357 HydrophobicContact CD1-CG1 3.92Å; F118-V357 HydrophobicContact CD1-CG2 4.28Å; F118-V357 HydrophobicContact CE1-CB 4.21Å; F118-V357 HydrophobicContact CE1-CG1 4.32Å; F118-V357 HydrophobicContact CE1-CG2 4.02Å; F118-V357 HydrophobicContact CG-CG1 4.16Å; I295-V357 HydrophobicContact CD1-CG2 3.6Å; A353-V357 WeakPolarHBondContact O-CG2 3.42Å; A353-V357 PolarHBondContact O-N 3.47Å; A354-V357 WeakPolarHBondContact O-CB 3.28Å; A354-V357 PolarHBondContact O-N 3.5Å; V357-A359 VanDerWaalsContact C-N 3.31Å; V357-A359 PolarHBondContact O-N 2.74Å; V357-G360 PolarHBondContact O-N 3.28Å; V357-F363 HydrophobicContact CG2-CB 4.18Å; V357-F363 HydrophobicContact CG2-CD1 3.77Å; V357-F363 HydrophobicContact CG2-CD2 3.53Å; V357-F363 HydrophobicContact CG2-CE1 3.95Å; V357-F363 HydrophobicContact CG2-CE2 3.71Å; V357-F363 HydrophobicContact CG2-CG 3.55Å; V357-F363 HydrophobicContact CG2-CZ 3.93Å
358	E	95.3	Very high	98.2	Very high	74 Å²	74	45.5 Å²	45.5	35%	0.346	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-37.1	-179.1	-65.7	-176.4	153.3	0	0	112.9	S117 F118 F119 A354 R355 G360	S117-E358 WeakPolarHBondContact CB-OE1 3.37Å; S117-E358 PolarHBondContact OG-OE1 2.84Å; F118-E358 HydrophobicContact CB-CG 4.19Å; F118-E358 PolarHBondContact N-OE1 2.97Å; F119-E358 WeakPolarHBondContact CB-OE1 3.44Å; F119-E358 PolarHBondContact N-OE1 3.4Å; A354-E358 PolarHBondContact O-N 3.38Å; R355-E358 WeakPolarHBondContact CD-OE2 3.49Å; R355-E358 IonicContact CZ-OE2 3.91Å; R355-E358 IonicContact NH1-OE2 3.9Å; R355-E358 PolarHBondContact NH1-OE2 3.28Å; R355-E358 PolarHBondContact O-N 3.48Å; E358-G360 PolarHBondContact O-N 3.32Å
359	A	96.3	Very high	98.2	Very high	68 Å²	68	45.3 Å²	45.3	56%	0.562	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	1.1	177.1	0	0	0	0	0	113.7	R355 L356 V357 R361	R355-A359 WeakPolarHBondContact O-CB 3.42Å; R355-A359 PolarHBondContact O-N 2.87Å; L356-A359 PolarHBondContact O-N 3.06Å; V357-A359 VanDerWaalsContact C-N 3.31Å; V357-A359 PolarHBondContact O-N 2.74Å; A359-R361 HydrophobicContact CB-CG 3.79Å; A359-R361 PolarHBondContact O-N 3.11Å
360	G	95.8	Very high	98.2	Very high	69 Å²	69	42.6 Å²	42.6	71%	0.711	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	27	-177.1	0	0	0	0	0	113.3	L356 V357 E358	L356-G360 PolarHBondContact O-N 3.36Å; V357-G360 PolarHBondContact O-N 3.28Å; E358-G360 PolarHBondContact O-N 3.32Å
361	R	97.9	Very high	98.2	Very high	159 Å²	159	42.6 Å²	42.6	60%	0.6	24%	0.235	S	C	*	.			trans	-94.4	156.6	-178.2	-62.1	-64.7	-67.4	-100.3	-3.9	110.5	L356 A359 F363	L356-R361 HydrophobicContact CB-CB 4.4Å; L356-R361 HydrophobicContact CD2-CB 3.7Å; L356-R361 HydrophobicContact CD2-CG 4.25Å; L356-R361 PolarHBondContact O-N 3.45Å; A359-R361 HydrophobicContact CB-CG 3.79Å; A359-R361 PolarHBondContact O-N 3.11Å; R361-F363 WeakPolarHBondContact O-CD1 3.39Å; R361-F363 PolarHBondContact O-N 2.97Å
362	P	98.1	Very high	98.2	Very high	110 Å²	110	45.8 Å²	45.8	71%	0.714	25%	0.247	S	C	*	.			trans	-54.3	129.8	169	-23.7	34.3	0	0	0	110.3
363	F	98.6	Very high	98.2	Very high	33 Å²	33	46 Å²	46	15%	0.145	24%	0.244	C	C	.	.			trans	-137	-2	-174.2	70.1	-92.2	0	0	0	113.6	N291 E292 I295 L356 V357 R361 K365 E366 A367	N291-F363 HydrophobicContact CB-CE2 3.84Å; N291-F363 HydrophobicContact CB-CZ 4.22Å; E292-F363 HydrophobicContact CG-CE2 3.99Å; E292-F363 HydrophobicContact CG-CZ 3.81Å; I295-F363 HydrophobicContact CD1-CD2 4.04Å; I295-F363 HydrophobicContact CD1-CE2 4.33Å; L356-F363 HydrophobicContact CB-CB 3.81Å; V357-F363 HydrophobicContact CG2-CB 4.18Å; V357-F363 HydrophobicContact CG2-CD1 3.77Å; V357-F363 HydrophobicContact CG2-CD2 3.53Å; V357-F363 HydrophobicContact CG2-CE1 3.95Å; V357-F363 HydrophobicContact CG2-CE2 3.71Å; V357-F363 HydrophobicContact CG2-CG 3.55Å; V357-F363 HydrophobicContact CG2-CZ 3.93Å; R361-F363 WeakPolarHBondContact O-CD1 3.39Å; R361-F363 PolarHBondContact O-N 2.97Å; F363-K365 VanDerWaalsContact C-N 3.33Å; F363-K365 PolarHBondContact O-N 3.23Å; F363-E366 VanDerWaalsContact C-OE2 3.32Å; F363-E366 VanDerWaalsContact CA-OE2 3.32Å; F363-E366 WeakPolarHBondContact CA-OE2 3.39Å; F363-E366 PolarHBondContact O-N 2.89Å; F363-A367 HydrophobicContact CD2-CB 4.07Å; F363-A367 WeakPolarHBondContact O-CB 3.31Å; F363-A367 PolarHBondContact O-N 3.46Å
364	I	98.7	Very high	98.2	Very high	56 Å²	56	46.1 Å²	46.1	29%	0.287	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-41.5	-170.4	-60.3	175.8	0	0	0	111.2	S368 T423 H427	I364-S368 WeakPolarHBondContact O-CB 3.48Å; I364-S368 PolarHBondContact O-N 2.86Å; I364-S368 VanDerWaalsContact O-N 3.17Å; I364-S368 PolarHBondContact O-OG 3.19Å; I364-T423 HydrophobicContact CG2-CG2 3.96Å; I364-H427 VanDerWaalsContact CG2-NE2 3.29Å; I364-H427 WeakPolarHBondContact CG2-NE2 3.36Å
365	K	98.8	Very high	98.2	Very high	28 Å²	28	46.1 Å²	46.1	12%	0.122	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-48.1	176.4	-176.5	-175.9	70.4	-172.1	0	110.1	F363 S368 M369 I424 H427 I428 E431	F363-K365 VanDerWaalsContact C-N 3.33Å; F363-K365 PolarHBondContact O-N 3.23Å; K365-S368 PolarHBondContact O-N 2.94Å; K365-M369 HydrophobicContact CD-CE 3.82Å; K365-M369 HydrophobicContact CG-CE 3.75Å; K365-M369 HydrophobicContact CG-SD 4.24Å; K365-M369 WeakPolarHBondContact O-CG 3.43Å; K365-M369 PolarHBondContact O-N 3.42Å; K365-I424 HydrophobicContact CG-CG2 4.48Å; K365-H427 HydrophobicContact CB-CB 3.88Å; K365-H427 HydrophobicContact CD-CB 4.01Å; K365-H427 HydrophobicContact CG-CB 4.01Å; K365-I428 HydrophobicContact CD-CD1 4.05Å; K365-E431 WeakPolarHBondContact CD-OE1 3.47Å; K365-E431 WeakPolarHBondContact CE-OE1 3.43Å; K365-E431 IonicContact NZ-OE1 2.79Å; K365-E431 PolarHBondContact NZ-OE1 3.2Å; K365-E431 IonicContact NZ-OE2 2.81Å; K365-E431 PolarHBondContact NZ-OE2 3.33Å
366	E	98.9	Very high	98.3	Very high	43 Å²	43	46.9 Å²	46.9	20%	0.201	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-39.6	-176.2	-65.2	76.3	-164.8	0	0	112.1	A353 L356 F363 S368 M369 A370	A353-E366 HydrophobicContact CB-CB 4.18Å; L356-E366 HydrophobicContact CD1-CB 3.85Å; L356-E366 HydrophobicContact CD1-CG 3.53Å; F363-E366 VanDerWaalsContact C-OE2 3.32Å; F363-E366 VanDerWaalsContact CA-OE2 3.32Å; F363-E366 WeakPolarHBondContact CA-OE2 3.39Å; F363-E366 PolarHBondContact O-N 2.89Å; E366-S368 VanDerWaalsContact C-N 3.34Å; E366-M369 PolarHBondContact O-N 3.03Å; E366-A370 WeakPolarHBondContact O-CB 3.32Å; E366-A370 PolarHBondContact O-N 3.16Å
367	A	98.9	Very high	98.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.5	-42.5	171.8	0	0	0	0	0	112	N291 R294 I295 F363 A370 K371	N291-A367 WeakPolarHBondContact O-CB 3.33Å; R294-A367 HydrophobicContact CB-CB 4.44Å; I295-A367 HydrophobicContact CD1-CB 3.97Å; I295-A367 HydrophobicContact CG1-CB 3.53Å; F363-A367 HydrophobicContact CD2-CB 4.07Å; F363-A367 WeakPolarHBondContact O-CB 3.31Å; F363-A367 PolarHBondContact O-N 3.46Å; A367-A370 PolarHBondContact O-N 2.9Å; A367-K371 WeakPolarHBondContact O-CB 3.47Å; A367-K371 PolarHBondContact O-N 2.94Å
368	S	98.9	Very high	98.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-39.6	177.8	-53.6	0	0	0	0	111.3	R294 I364 K365 E366 Y372 T423	R294-S368 PolarHBondContact NH1-OG 3.04Å; I364-S368 WeakPolarHBondContact O-CB 3.48Å; I364-S368 PolarHBondContact O-N 2.86Å; I364-S368 VanDerWaalsContact O-N 3.17Å; I364-S368 PolarHBondContact O-OG 3.19Å; K365-S368 PolarHBondContact O-N 2.94Å; E366-S368 VanDerWaalsContact C-N 3.34Å; S368-Y372 WeakPolarHBondContact O-CB 3.34Å; S368-Y372 PolarHBondContact O-N 3.19Å; S368-T423 WeakPolarHBondContact OG-CG2 3.46Å
369	M	98.9	Very high	98.5	Very high	58 Å²	58	41.9 Å²	41.9	29%	0.286	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-48.4	172.9	-73.4	175.3	172.1	0	0	111.6	K365 E366 Y373 I424	K365-M369 HydrophobicContact CD-CE 3.82Å; K365-M369 HydrophobicContact CG-CE 3.75Å; K365-M369 HydrophobicContact CG-SD 4.24Å; K365-M369 WeakPolarHBondContact O-CG 3.43Å; K365-M369 PolarHBondContact O-N 3.42Å; E366-M369 PolarHBondContact O-N 3.03Å; M369-Y373 WeakPolarHBondContact O-CB 3.33Å; M369-Y373 PolarHBondContact O-N 2.8Å; M369-I424 HydrophobicContact CB-CD1 4.44Å; M369-I424 HydrophobicContact CE-CG2 3.86Å; M369-I424 HydrophobicContact CG-CD1 3.78Å; M369-I424 HydrophobicContact CG-CG1 3.96Å
370	A	98.9	Very high	98.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-51.5	179.2	0	0	0	0	0	111.5	A298 L349 A353 E366 A367 Y372 Y373 A374	A298-A370 HydrophobicContact CB-CB 3.95Å; L349-A370 HydrophobicContact CB-CB 4.1Å; A353-A370 HydrophobicContact CB-CB 4.41Å; E366-A370 WeakPolarHBondContact O-CB 3.32Å; E366-A370 PolarHBondContact O-N 3.16Å; A367-A370 PolarHBondContact O-N 2.9Å; A370-Y372 PolarHBondContact O-N 3.16Å; A370-Y373 PolarHBondContact O-N 2.94Å; A370-A374 WeakPolarHBondContact O-CB 3.34Å; A370-A374 PolarHBondContact O-N 3.29Å
371	K	98.9	Very high	98.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-50.3	-179.7	-166.1	-82.9	-169	178.5	0	111.7	R294 I297 A298 A367 S375 G410 Y413 G415 Q420	R294-K371 HydrophobicContact CB-CB 3.96Å; R294-K371 HydrophobicContact CB-CG 4.08Å; R294-K371 HydrophobicContact CG-CB 4.34Å; R294-K371 HydrophobicContact CG-CG 4.17Å; R294-K371 WeakPolarHBondContact O-CB 3.46Å; R294-K371 WeakPolarHBondContact O-CG 3.42Å; I297-K371 HydrophobicContact CB-CG 4.14Å; I297-K371 HydrophobicContact CG2-CD 4.38Å; I297-K371 HydrophobicContact CG2-CG 3.99Å; A298-K371 HydrophobicContact CB-CB 4.47Å; A367-K371 WeakPolarHBondContact O-CB 3.47Å; A367-K371 PolarHBondContact O-N 2.94Å; K371-S375 VanDerWaalsContact O-CB 3.25Å; K371-S375 WeakPolarHBondContact O-CB 3.42Å; K371-S375 PolarHBondContact O-N 3.1Å; K371-S375 PolarHBondContact O-OG 3.4Å; K371-G410 VanDerWaalsContact CE-O 3.3Å; K371-G410 WeakPolarHBondContact CE-O 3.19Å; K371-G410 PolarHBondContact NZ-O 3.45Å; K371-Y413 WeakPolarHBondContact CE-O 3.48Å; K371-Y413 PolarHBondContact NZ-O 3.42Å; K371-G415 PolarHBondContact NZ-O 3.44Å; K371-Q420 HydrophobicContact CD-CG 4.01Å
372	Y	98.9	Very high	98.9	Very high	75 Å²	75	30.8 Å²	30.8	29%	0.294	16%	0.158	S	C	.	.	H	α-helix	trans	-55.4	-58.2	177.3	167.2	-111.4	0	0	0	110.7	S368 A370 A374 S375 E376 L421	S368-Y372 WeakPolarHBondContact O-CB 3.34Å; S368-Y372 PolarHBondContact O-N 3.19Å; A370-Y372 PolarHBondContact O-N 3.16Å; Y372-A374 PolarHBondContact O-N 3.38Å; Y372-S375 PolarHBondContact O-N 3.36Å; Y372-S375 PolarHBondContact O-OG 2.91Å; Y372-E376 HydrophobicContact CD2-CG 4.07Å; Y372-E376 HydrophobicContact CE2-CG 3.71Å; Y372-E376 WeakPolarHBondContact O-CG 3.23Å; Y372-E376 PolarHBondContact O-N 2.96Å; Y372-E376 VanDerWaalsContact O-N 3.11Å; Y372-L421 HydrophobicContact CD1-CD2 4.29Å; Y372-L421 HydrophobicContact CD2-CD2 4.46Å; Y372-L421 HydrophobicContact CD2-CG 4.38Å; Y372-L421 HydrophobicContact CE1-CD2 4.01Å; Y372-L421 HydrophobicContact CE2-CD1 4.18Å; Y372-L421 HydrophobicContact CE2-CD2 4.2Å; Y372-L421 HydrophobicContact CE2-CG 4.19Å; Y372-L421 HydrophobicContact CG-CD2 4.5Å
373	Y	98.9	Very high	98.9	Very high	72 Å²	72	27.5 Å²	27.5	28%	0.282	14%	0.137	S	C	.	.	H	α-helix	trans	-64.4	-47.6	-172.9	-169.3	-92.5	0	0	0	112.1	A345 A346 L349 M369 A370 S375 E376 V377	A345-Y373 HydrophobicContact CB-CE1 3.77Å; A346-Y373 HydrophobicContact CB-CD1 3.82Å; A346-Y373 HydrophobicContact CB-CE1 4.08Å; L349-Y373 HydrophobicContact CD1-CD1 3.74Å; L349-Y373 HydrophobicContact CD1-CD2 4.44Å; L349-Y373 HydrophobicContact CD1-CE1 4.48Å; L349-Y373 HydrophobicContact CD1-CG 3.71Å; M369-Y373 WeakPolarHBondContact O-CB 3.33Å; M369-Y373 PolarHBondContact O-N 2.8Å; A370-Y373 PolarHBondContact O-N 2.94Å; Y373-S375 VanDerWaalsContact C-N 3.3Å; Y373-S375 PolarHBondContact O-N 3.24Å; Y373-E376 PolarHBondContact O-N 3.44Å; Y373-V377 HydrophobicContact CD1-CG2 3.84Å; Y373-V377 HydrophobicContact CE1-CG2 3.51Å; Y373-V377 HydrophobicContact CE2-CG2 4.45Å; Y373-V377 HydrophobicContact CG-CG2 4.44Å; Y373-V377 WeakPolarHBondContact O-CB 3.19Å; Y373-V377 VanDerWaalsContact O-CG2 3.28Å; Y373-V377 WeakPolarHBondContact O-CG2 3.43Å; Y373-V377 PolarHBondContact O-N 3.05Å
374	A	98.9	Very high	98.9	Very high	2 Å²	2	28.5 Å²	28.5	2%	0.017	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-40.1	178.6	0	0	0	0	0	111.7	A298 M301 A346 A370 Y372 A378	A298-A374 HydrophobicContact CB-CB 4.15Å; M301-A374 HydrophobicContact CB-CB 4.04Å; A346-A374 HydrophobicContact CB-CB 4.15Å; A370-A374 WeakPolarHBondContact O-CB 3.34Å; A370-A374 PolarHBondContact O-N 3.29Å; Y372-A374 PolarHBondContact O-N 3.38Å; A374-A378 VanDerWaalsContact O-CB 3.23Å; A374-A378 WeakPolarHBondContact O-CB 3.18Å; A374-A378 PolarHBondContact O-N 2.85Å
375	S	98.9	Very high	98.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.2	-39.9	179.2	70.2	0	0	0	0	114.1	K371 Y372 Y373 A378 G379 G410	K371-S375 VanDerWaalsContact O-CB 3.25Å; K371-S375 WeakPolarHBondContact O-CB 3.42Å; K371-S375 PolarHBondContact O-N 3.1Å; K371-S375 PolarHBondContact O-OG 3.4Å; Y372-S375 PolarHBondContact O-N 3.36Å; Y372-S375 PolarHBondContact O-OG 2.91Å; Y373-S375 VanDerWaalsContact C-N 3.3Å; Y373-S375 PolarHBondContact O-N 3.24Å; S375-A378 PolarHBondContact O-N 2.95Å; S375-G379 PolarHBondContact O-N 3.23Å; S375-G410 VanDerWaalsContact CB-C 3.41Å; S375-G410 WeakPolarHBondContact CB-O 2.92Å
376	E	98.9	Very high	98.9	Very high	77 Å²	77	25.8 Å²	25.8	36%	0.36	13%	0.129	S	C	.	.	H	α-helix	trans	-68.4	-43.2	175.6	-65.1	-61.5	147.3	0	0	110.8	Y372 Y373 A378 G379 L380 T411 S417	Y372-E376 HydrophobicContact CD2-CG 4.07Å; Y372-E376 HydrophobicContact CE2-CG 3.71Å; Y372-E376 WeakPolarHBondContact O-CG 3.23Å; Y372-E376 PolarHBondContact O-N 2.96Å; Y372-E376 VanDerWaalsContact O-N 3.11Å; Y373-E376 PolarHBondContact O-N 3.44Å; E376-A378 VanDerWaalsContact C-N 3.33Å; E376-A378 PolarHBondContact O-N 3.28Å; E376-G379 PolarHBondContact O-N 2.76Å; E376-L380 PolarHBondContact O-N 2.84Å; E376-T411 VanDerWaalsContact OE1-CG2 3.24Å; E376-T411 WeakPolarHBondContact OE1-CG2 3.28Å; E376-S417 PolarHBondContact OE1-OG 3.5Å
377	V	98.9	Very high	98.9	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-38.4	175.9	170	0	0	0	0	111.5	Q342 L343 Y373 L380 T381	Q342-V377 HydrophobicContact CB-CG1 3.77Å; Q342-V377 HydrophobicContact CB-CG2 3.87Å; Q342-V377 HydrophobicContact CG-CG2 4.47Å; L343-V377 HydrophobicContact CD2-CG1 4.24Å; Y373-V377 HydrophobicContact CD1-CG2 3.84Å; Y373-V377 HydrophobicContact CE1-CG2 3.51Å; Y373-V377 HydrophobicContact CE2-CG2 4.45Å; Y373-V377 HydrophobicContact CG-CG2 4.44Å; Y373-V377 WeakPolarHBondContact O-CB 3.19Å; Y373-V377 VanDerWaalsContact O-CG2 3.28Å; Y373-V377 WeakPolarHBondContact O-CG2 3.43Å; Y373-V377 PolarHBondContact O-N 3.05Å; V377-L380 PolarHBondContact O-N 2.67Å; V377-T381 WeakPolarHBondContact O-CB 3.38Å; V377-T381 PolarHBondContact O-N 2.95Å; V377-T381 PolarHBondContact O-OG1 2.94Å
378	A	98.9	Very high	98.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-44.5	176.2	0	0	0	0	0	112	M301 L304 A305 A374 S375 E376 L380 T381 T382 A407	M301-A378 HydrophobicContact CB-CB 3.98Å; M301-A378 HydrophobicContact SD-CB 4.17Å; L304-A378 HydrophobicContact CD1-CB 4.27Å; A305-A378 HydrophobicContact CB-CB 3.96Å; A374-A378 VanDerWaalsContact O-CB 3.23Å; A374-A378 WeakPolarHBondContact O-CB 3.18Å; A374-A378 PolarHBondContact O-N 2.85Å; S375-A378 PolarHBondContact O-N 2.95Å; E376-A378 VanDerWaalsContact C-N 3.33Å; E376-A378 PolarHBondContact O-N 3.28Å; A378-L380 PolarHBondContact O-N 3.36Å; A378-T381 PolarHBondContact O-N 3.48Å; A378-T382 WeakPolarHBondContact O-CB 3.49Å; A378-T382 VanDerWaalsContact O-CG2 3.29Å; A378-T382 WeakPolarHBondContact O-CG2 3.44Å; A378-T382 PolarHBondContact O-N 3.38Å; A378-T382 PolarHBondContact O-OG1 2.97Å; A378-A407 HydrophobicContact CB-CB 4.22Å
379	G	98.9	Very high	98.9	Very high	22 Å²	22	29.4 Å²	29.4	23%	0.227	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-45.5	174.6	0	0	0	0	0	112.6	S375 E376 T382 S383	S375-G379 PolarHBondContact O-N 3.23Å; E376-G379 PolarHBondContact O-N 2.76Å; G379-T382 PolarHBondContact O-OG1 3.24Å; G379-S383 WeakPolarHBondContact O-CB 3.45Å; G379-S383 PolarHBondContact O-N 2.79Å; G379-S383 VanDerWaalsContact O-N 3.13Å
380	L	98.9	Very high	98.9	Very high	64 Å²	64	28.4 Å²	28.4	34%	0.335	15%	0.149	S	C	.	.	H	α-helix	trans	-64.2	-49.9	177.2	176.1	64.5	0	0	0	112.2	E376 V377 A378 T382 S383 K384	E376-L380 PolarHBondContact O-N 2.84Å; V377-L380 PolarHBondContact O-N 2.67Å; A378-L380 PolarHBondContact O-N 3.36Å; L380-T382 PolarHBondContact O-N 2.95Å; L380-S383 PolarHBondContact O-N 2.87Å; L380-K384 HydrophobicContact CD1-CG 4.15Å; L380-K384 WeakPolarHBondContact O-CG 3.4Å; L380-K384 PolarHBondContact O-N 2.87Å
381	T	98.9	Very high	98.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.2	-50.5	-177.4	-63.1	0	0	0	0	110.8	A305 F309 V339 L343 V377 A378 K384 C385	A305-T381 HydrophobicContact CB-CG2 4.11Å; F309-T381 HydrophobicContact CB-CG2 4.3Å; V339-T381 HydrophobicContact CG1-CG2 3.7Å; L343-T381 HydrophobicContact CD1-CG2 4.44Å; V377-T381 WeakPolarHBondContact O-CB 3.38Å; V377-T381 PolarHBondContact O-N 2.95Å; V377-T381 PolarHBondContact O-OG1 2.94Å; A378-T381 PolarHBondContact O-N 3.48Å; T381-K384 PolarHBondContact O-N 3.42Å; T381-C385 WeakPolarHBondContact O-CB 3.39Å; T381-C385 PolarHBondContact O-N 3.38Å; T381-C385 PolarHBondContact O-SG 2.83Å
382	T	98.9	Very high	98.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.1	-37.9	-177.8	54.5	0	0	0	0	112.1	L304 C308 A378 G379 L380 K384 C385 I386 F403 A407	L304-T382 HydrophobicContact CD1-CG2 3.82Å; C308-T382 HydrophobicContact CB-CG2 3.96Å; A378-T382 WeakPolarHBondContact O-CB 3.49Å; A378-T382 VanDerWaalsContact O-CG2 3.29Å; A378-T382 WeakPolarHBondContact O-CG2 3.44Å; A378-T382 PolarHBondContact O-N 3.38Å; A378-T382 PolarHBondContact O-OG1 2.97Å; G379-T382 PolarHBondContact O-OG1 3.24Å; L380-T382 PolarHBondContact O-N 2.95Å; T382-K384 PolarHBondContact O-N 3.13Å; T382-C385 PolarHBondContact O-N 2.93Å; T382-I386 PolarHBondContact O-N 3.1Å; T382-I386 VanDerWaalsContact O-N 3.16Å; T382-F403 HydrophobicContact CG2-CB 3.84Å; T382-A407 HydrophobicContact CG2-CB 4.12Å
383	S	98.9	Very high	98.9	Very high	41 Å²	41	28.8 Å²	28.8	29%	0.287	17%	0.174	S	C	.	.	H	α-helix	trans	-59.4	-46.3	171.6	-172.4	0	0	0	0	111.7	G379 L380 I386 E387	G379-S383 WeakPolarHBondContact O-CB 3.45Å; G379-S383 PolarHBondContact O-N 2.79Å; G379-S383 VanDerWaalsContact O-N 3.13Å; L380-S383 PolarHBondContact O-N 2.87Å; S383-I386 PolarHBondContact O-N 3.24Å; S383-E387 PolarHBondContact O-N 2.98Å; S383-E387 VanDerWaalsContact O-N 3.16Å
384	K	98.9	Very high	98.8	Very high	53 Å²	53	34.8 Å²	34.8	23%	0.23	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-37.1	177.9	-71.3	-48.6	-174.8	-165.1	0	113	V339 L380 T381 T382 I386 E387 W388	V339-K384 HydrophobicContact CG2-CB 4.47Å; V339-K384 HydrophobicContact CG2-CG 4.42Å; L380-K384 HydrophobicContact CD1-CG 4.15Å; L380-K384 WeakPolarHBondContact O-CG 3.4Å; L380-K384 PolarHBondContact O-N 2.87Å; T381-K384 PolarHBondContact O-N 3.42Å; T382-K384 PolarHBondContact O-N 3.13Å; K384-I386 VanDerWaalsContact C-N 3.33Å; K384-I386 PolarHBondContact O-N 2.9Å; K384-E387 VanDerWaalsContact CD-OE2 3.28Å; K384-E387 WeakPolarHBondContact CD-OE2 3.31Å; K384-E387 IonicContact NZ-OE1 3.64Å; K384-E387 PolarHBondContact NZ-OE1 3.27Å; K384-E387 IonicContact NZ-OE2 2.84Å; K384-E387 PolarHBondContact NZ-OE2 2.91Å; K384-E387 WeakPolarHBondContact O-CB 3.26Å; K384-E387 PolarHBondContact O-N 2.73Å; K384-E387 VanDerWaalsContact O-N 3.16Å; K384-W388 HydrophobicContact CB-CD2 4.39Å; K384-W388 HydrophobicContact CB-CH2 4.14Å; K384-W388 HydrophobicContact CB-CZ2 3.61Å; K384-W388 HydrophobicContact CG-CZ2 4.31Å; K384-W388 VanDerWaalsContact O-CD1 3.28Å; K384-W388 VanDerWaalsContact O-CD2 3.29Å; K384-W388 PolarHBondContact O-N 3.21Å
385	C	98.9	Very high	98.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62	-40.3	176.3	-70.4	0	0	0	0	112.2	C308 T312 T381 T382 W388 M389	C308-C385 WeakPolarHBondContact SG-CB 3.25Å; T312-C385 HydrophobicContact CG2-CB 4.16Å; T312-C385 WeakPolarHBondContact OG1-CB 3.48Å; T381-C385 WeakPolarHBondContact O-CB 3.39Å; T381-C385 PolarHBondContact O-N 3.38Å; T381-C385 PolarHBondContact O-SG 2.83Å; T382-C385 PolarHBondContact O-N 2.93Å; C385-W388 PolarHBondContact O-N 3.11Å; C385-M389 WeakPolarHBondContact O-CG 3.46Å; C385-M389 PolarHBondContact O-N 3.08Å
386	I	98.9	Very high	98.8	Very high	28 Å²	28	43.5 Å²	43.5	14%	0.144	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-48.7	171.6	-67.3	173.4	0	0	0	110.6	T382 S383 K384 W388 M389 G390 V400 F404	T382-I386 PolarHBondContact O-N 3.1Å; T382-I386 VanDerWaalsContact O-N 3.16Å; S383-I386 PolarHBondContact O-N 3.24Å; K384-I386 VanDerWaalsContact C-N 3.33Å; K384-I386 PolarHBondContact O-N 2.9Å; I386-W388 VanDerWaalsContact C-N 3.32Å; I386-W388 PolarHBondContact O-N 2.77Å; I386-M389 PolarHBondContact O-N 3.08Å; I386-G390 PolarHBondContact O-N 2.97Å; I386-V400 HydrophobicContact CG1-CB 4.32Å; I386-V400 HydrophobicContact CG1-CG2 4.05Å; I386-F404 HydrophobicContact CD1-CB 3.45Å; I386-F404 VanDerWaalsContact CD1-CB 3.45Å; I386-F404 HydrophobicContact CD1-CD1 4.1Å; I386-F404 HydrophobicContact CD1-CD2 4.27Å; I386-F404 HydrophobicContact CD1-CG 3.69Å; I386-F404 HydrophobicContact CG1-CB 4.49Å
387	E	98.9	Very high	98.7	Very high	100 Å²	100	46.6 Å²	46.6	47%	0.467	26%	0.258	S	S	.	.	H	α-helix	trans	-56.7	-44.8	178.2	-69.5	174.3	-153.2	0	0	111.9	S383 K384 M389 G390	S383-E387 PolarHBondContact O-N 2.98Å; S383-E387 VanDerWaalsContact O-N 3.16Å; K384-E387 VanDerWaalsContact CD-OE2 3.28Å; K384-E387 WeakPolarHBondContact CD-OE2 3.31Å; K384-E387 IonicContact NZ-OE1 3.64Å; K384-E387 PolarHBondContact NZ-OE1 3.27Å; K384-E387 IonicContact NZ-OE2 2.84Å; K384-E387 PolarHBondContact NZ-OE2 2.91Å; K384-E387 WeakPolarHBondContact O-CB 3.26Å; K384-E387 PolarHBondContact O-N 2.73Å; K384-E387 VanDerWaalsContact O-N 3.16Å; E387-M389 VanDerWaalsContact C-N 3.34Å; E387-M389 PolarHBondContact O-N 3.19Å; E387-G390 PolarHBondContact O-N 3.39Å; E387-G390 VanDerWaalsContact O-N 3.1Å
388	W	98.9	Very high	98.7	Very high	14 Å²	14	50 Å²	50	5%	0.053	27%	0.271	C	S	.	.	H	α-helix	trans	-69.3	-31.2	-178.3	-57.5	-19.8	0	0	0	113.1	F309 T312 I316 I326 L332 Q335 V336 V339 K384 C385 I386 G390	F309-W388 HydrophobicContact CD2-CH2 4.46Å; F309-W388 HydrophobicContact CD2-CZ3 4.07Å; F309-W388 HydrophobicContact CE2-CH2 4.24Å; F309-W388 HydrophobicContact CE2-CZ3 4.07Å; T312-W388 HydrophobicContact CG2-CB 4.17Å; T312-W388 HydrophobicContact CG2-CE3 3.83Å; I316-W388 HydrophobicContact CG2-CB 3.96Å; I326-W388 WeakPolarHBondContact CD1-O 3.36Å; L332-W388 HydrophobicContact CD1-CG 4.5Å; Q335-W388 HydrophobicContact CB-CZ2 3.75Å; V336-W388 HydrophobicContact CB-CH2 4.45Å; V336-W388 HydrophobicContact CG2-CD2 4.47Å; V336-W388 HydrophobicContact CG2-CE3 4.25Å; V336-W388 HydrophobicContact CG2-CH2 3.91Å; V336-W388 HydrophobicContact CG2-CZ2 4.13Å; V336-W388 HydrophobicContact CG2-CZ3 3.98Å; V339-W388 HydrophobicContact CB-CH2 3.9Å; V339-W388 HydrophobicContact CG1-CH2 4.15Å; V339-W388 HydrophobicContact CG2-CH2 3.77Å; V339-W388 HydrophobicContact CG2-CZ2 4.01Å; K384-W388 HydrophobicContact CB-CD2 4.39Å; K384-W388 HydrophobicContact CB-CH2 4.14Å; K384-W388 HydrophobicContact CB-CZ2 3.61Å; K384-W388 HydrophobicContact CG-CZ2 4.31Å; K384-W388 VanDerWaalsContact O-CD1 3.28Å; K384-W388 VanDerWaalsContact O-CD2 3.29Å; K384-W388 PolarHBondContact O-N 3.21Å; C385-W388 PolarHBondContact O-N 3.11Å; I386-W388 VanDerWaalsContact C-N 3.32Å; I386-W388 PolarHBondContact O-N 2.77Å; W388-G390 VanDerWaalsContact C-N 3.29Å
389	M	98.8	Very high	98.7	Very high	5 Å²	5	52 Å²	52	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-78.9	-12.7	172.4	-69.3	-165.3	74.6	0	0	113.2	Y311 T312 Y315 C385 I386 E387 A392 Y398 V400	Y311-M389 HydrophobicContact CD1-CE 4.44Å; Y311-M389 HydrophobicContact CD1-SD 4.15Å; Y311-M389 HydrophobicContact CE1-CE 3.8Å; Y311-M389 HydrophobicContact CE1-SD 4.07Å; T312-M389 HydrophobicContact CG2-CG 3.88Å; Y315-M389 HydrophobicContact CD1-CB 4.38Å; Y315-M389 HydrophobicContact CD1-CE 4.15Å; Y315-M389 HydrophobicContact CD1-CG 3.85Å; Y315-M389 HydrophobicContact CD2-CE 3.53Å; Y315-M389 HydrophobicContact CE1-CB 4.19Å; Y315-M389 HydrophobicContact CE1-CE 4.41Å; Y315-M389 HydrophobicContact CE1-CG 4.16Å; Y315-M389 HydrophobicContact CE2-CE 3.78Å; Y315-M389 HydrophobicContact CG-CE 3.73Å; Y315-M389 HydrophobicContact CG-CG 4.24Å; Y315-M389 PolarHBondContact OH-O 3.18Å; C385-M389 WeakPolarHBondContact O-CG 3.46Å; C385-M389 PolarHBondContact O-N 3.08Å; I386-M389 PolarHBondContact O-N 3.08Å; E387-M389 VanDerWaalsContact C-N 3.34Å; E387-M389 PolarHBondContact O-N 3.19Å; M389-A392 PolarHBondContact O-N 3.16Å; M389-Y398 HydrophobicContact CE-CD1 3.49Å; M389-Y398 VanDerWaalsContact CE-CD1 3.49Å; M389-Y398 HydrophobicContact CE-CE1 4Å; M389-Y398 HydrophobicContact CE-CG 4Å; M389-V400 HydrophobicContact SD-CB 4.13Å; M389-V400 HydrophobicContact SD-CG1 3.45Å; M389-V400 WeakPolarHBondContact SD-CG1 3.49Å; M389-V400 HydrophobicContact SD-CG2 3.54Å; M389-V400 VanDerWaalsContact SD-CG2 3.54Å
390	G	98.7	Very high	98.7	Very high	36 Å²	36	51 Å²	51	37%	0.371	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	59.3	-139.6	-178.7	0	0	0	0	0	112.1	I386 E387 W388 A392 G393	I386-G390 PolarHBondContact O-N 2.97Å; E387-G390 PolarHBondContact O-N 3.39Å; E387-G390 VanDerWaalsContact O-N 3.1Å; W388-G390 VanDerWaalsContact C-N 3.29Å; G390-A392 PolarHBondContact O-N 2.84Å; G390-A392 VanDerWaalsContact O-N 3.12Å; G390-G393 PolarHBondContact O-N 2.88Å
391	G	98.6	Very high	98.7	Very high	62 Å²	62	49.1 Å²	49.1	64%	0.639	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-55.8	-31.9	-178.1	0	0	0	0	0	114.2	Y394	G391-Y394 PolarHBondContact O-N 2.85Å
392	A	98.4	Very high	98.7	Very high	21 Å²	21	49.6 Å²	49.6	17%	0.174	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-63.9	-41.6	177.2	0	0	0	0	0	111.8	Y315 M389 G390 Y394 T395 Y398	Y315-A392 HydrophobicContact CE2-CB 4.44Å; M389-A392 PolarHBondContact O-N 3.16Å; G390-A392 PolarHBondContact O-N 2.84Å; G390-A392 VanDerWaalsContact O-N 3.12Å; A392-Y394 PolarHBondContact O-N 3.44Å; A392-Y394 VanDerWaalsContact O-N 3.16Å; A392-T395 PolarHBondContact O-N 2.87Å; A392-T395 VanDerWaalsContact O-N 3.12Å; A392-T395 PolarHBondContact O-OG1 3.39Å; A392-Y398 HydrophobicContact CB-CD2 4Å; A392-Y398 HydrophobicContact CB-CE2 3.77Å; A392-Y398 VanDerWaalsContact O-CD2 3.32Å; A392-Y398 WeakPolarHBondContact O-CD2 3.4Å
393	G	98.6	Very high	98.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-67.2	-13.6	179.6	0	0	0	0	0	114.4	G390 V400	G390-G393 PolarHBondContact O-N 2.88Å; G393-V400 VanDerWaalsContact CA-CG2 3.45Å; G393-V400 WeakPolarHBondContact O-CG2 3.41Å
394	Y	98.8	Very high	98.7	Very high	199 Å²	199	51.9 Å²	51.9	78%	0.78	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-92.5	-3.7	177.2	-158.3	-110.6	0	0	0	113.3	G391 A392	G391-Y394 PolarHBondContact O-N 2.85Å; A392-Y394 PolarHBondContact O-N 3.44Å; A392-Y394 VanDerWaalsContact O-N 3.16Å
395	T	98.5	Very high	98.7	Very high	50 Å²	50	50.7 Å²	50.7	31%	0.307	26%	0.264	S	S	.	.	S	Bend	trans	-102.1	150.1	179.7	64.7	0	0	0	0	111.2	A392 D397 Y398	A392-T395 PolarHBondContact O-N 2.87Å; A392-T395 VanDerWaalsContact O-N 3.12Å; A392-T395 PolarHBondContact O-OG1 3.39Å; T395-D397 PolarHBondContact O-N 3.24Å; T395-Y398 PolarHBondContact O-N 3.31Å
396	K	98.5	Very high	98.7	Very high	134 Å²	134	50.7 Å²	50.7	58%	0.583	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-3.3	179.4	-61.7	-167.9	164	-73.6	0	114	Y398 E401	K396-Y398 PolarHBondContact O-N 3.06Å; K396-E401 HydrophobicContact CG-CG 4.26Å; K396-E401 IonicContact NZ-OE1 3.33Å; K396-E401 PolarHBondContact NZ-OE1 3.23Å; K396-E401 IonicContact NZ-OE2 2.91Å; K396-E401 PolarHBondContact NZ-OE2 3.16Å
397	D	97.6	Very high	98.7	Very high	143 Å²	143	49.4 Å²	49.4	77%	0.765	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-18	170.5	-58.9	-54.7	0	0	0	111.9	T395	T395-D397 PolarHBondContact O-N 3.24Å
398	Y	98.4	Very high	98.7	Very high	79 Å²	79	48.9 Å²	48.9	31%	0.31	25%	0.254	S	S	.	.	S	Bend	trans	-117.6	144.2	177.9	-67	-91	0	0	0	110.8	Y311 Y315 M389 A392 T395 K396 V400	Y311-Y398 HydrophobicContact CE1-CD1 4.02Å; Y311-Y398 VanDerWaalsContact OH-CD1 3.24Å; Y311-Y398 WeakPolarHBondContact OH-CD1 3.36Å; Y315-Y398 HydrophobicContact CE2-CE1 4.47Å; M389-Y398 HydrophobicContact CE-CD1 3.49Å; M389-Y398 VanDerWaalsContact CE-CD1 3.49Å; M389-Y398 HydrophobicContact CE-CE1 4Å; M389-Y398 HydrophobicContact CE-CG 4Å; A392-Y398 HydrophobicContact CB-CD2 4Å; A392-Y398 HydrophobicContact CB-CE2 3.77Å; A392-Y398 VanDerWaalsContact O-CD2 3.32Å; A392-Y398 WeakPolarHBondContact O-CD2 3.4Å; T395-Y398 PolarHBondContact O-N 3.31Å; K396-Y398 PolarHBondContact O-N 3.06Å; Y398-V400 VanDerWaalsContact C-N 3.33Å; Y398-V400 PolarHBondContact O-N 2.92Å
399	P	98.4	Very high	98.7	Very high	41 Å²	41	50.3 Å²	50.3	27%	0.266	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.3	-170.3	30.9	-37	0	0	0	114.3	Y311 E401 K402 F403	Y311-P399 HydrophobicContact CD1-CG 3.9Å; Y311-P399 HydrophobicContact CD2-CG 3.76Å; Y311-P399 HydrophobicContact CE1-CG 3.84Å; Y311-P399 HydrophobicContact CE2-CG 3.69Å; Y311-P399 HydrophobicContact CG-CG 3.86Å; Y311-P399 VanDerWaalsContact CZ-CD 3.44Å; P399-E401 VanDerWaalsContact C-N 3.27Å; P399-E401 PolarHBondContact O-N 3.06Å; P399-K402 WeakPolarHBondContact O-CB 3.39Å; P399-K402 PolarHBondContact O-N 3.48Å; P399-F403 HydrophobicContact CB-CD2 4.3Å; P399-F403 HydrophobicContact CB-CE2 4.04Å; P399-F403 HydrophobicContact CG-CE2 4.47Å; P399-F403 WeakPolarHBondContact O-CD2 3.22Å; P399-F403 PolarHBondContact O-N 2.84Å
400	V	98.8	Very high	98.7	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-29.6	-171.5	-63.2	0	0	0	0	113.7	Y311 I386 M389 G393 Y398 F403 F404	Y311-V400 HydrophobicContact CD1-CG1 3.88Å; I386-V400 HydrophobicContact CG1-CB 4.32Å; I386-V400 HydrophobicContact CG1-CG2 4.05Å; M389-V400 HydrophobicContact SD-CB 4.13Å; M389-V400 HydrophobicContact SD-CG1 3.45Å; M389-V400 WeakPolarHBondContact SD-CG1 3.49Å; M389-V400 HydrophobicContact SD-CG2 3.54Å; M389-V400 VanDerWaalsContact SD-CG2 3.54Å; G393-V400 VanDerWaalsContact CA-CG2 3.45Å; G393-V400 WeakPolarHBondContact O-CG2 3.41Å; Y398-V400 VanDerWaalsContact C-N 3.33Å; Y398-V400 PolarHBondContact O-N 2.92Å; V400-F403 PolarHBondContact O-N 3.12Å; V400-F404 PolarHBondContact O-N 3.36Å; V400-F404 VanDerWaalsContact O-N 3.09Å
401	E	98.9	Very high	98.7	Very high	26 Å²	26	49 Å²	49	12%	0.121	25%	0.247	C	C	.	.	H	α-helix	trans	-67.3	-36.7	174.9	73.7	81.8	-160.5	0	0	112.1	K396 P399 F404 R405	K396-E401 HydrophobicContact CG-CG 4.26Å; K396-E401 IonicContact NZ-OE1 3.33Å; K396-E401 PolarHBondContact NZ-OE1 3.23Å; K396-E401 IonicContact NZ-OE2 2.91Å; K396-E401 PolarHBondContact NZ-OE2 3.16Å; P399-E401 VanDerWaalsContact C-N 3.27Å; P399-E401 PolarHBondContact O-N 3.06Å; E401-F404 PolarHBondContact O-N 3.49Å; E401-R405 WeakPolarHBondContact O-CG 3.22Å; E401-R405 PolarHBondContact O-N 3.47Å; E401-R405 IonicContact OE1-CZ 3.11Å; E401-R405 IonicContact OE1-NE 3.6Å; E401-R405 IonicContact OE1-NH2 2.55Å; E401-R405 PolarHBondContact OE1-NH2 3.29Å; E401-R405 IonicContact OE2-CZ 2.71Å; E401-R405 IonicContact OE2-NE 3.5Å; E401-R405 PolarHBondContact OE2-NE 3.01Å; E401-R405 IonicContact OE2-NH2 2.71Å; E401-R405 PolarHBondContact OE2-NH2 2.85Å
402	K	98.9	Very high	98.7	Very high	10 Å²	10	50.3 Å²	50.3	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-65.1	-47.7	174.3	178.8	-178.4	177.5	-69.6	0	110.6	V80 D84 D132 P399 F404 R405 D406	V80-K402 HydrophobicContact CG1-CD 3.62Å; V80-K402 VanDerWaalsContact CG1-CE 3.44Å; D84-K402 HydrophobicContact CB-CD 3.82Å; D132-K402 IonicContact OD1-NZ 2.72Å; D132-K402 PolarHBondContact OD1-NZ 3.05Å; D132-K402 IonicContact OD2-NZ 3.71Å; P399-K402 WeakPolarHBondContact O-CB 3.39Å; P399-K402 PolarHBondContact O-N 3.48Å; K402-F404 VanDerWaalsContact C-N 3.26Å; K402-F404 PolarHBondContact O-N 3.04Å; K402-R405 PolarHBondContact O-N 3.29Å; K402-R405 VanDerWaalsContact O-N 3.15Å; K402-D406 IonicContact NZ-OD2 3.35Å; K402-D406 PolarHBondContact NZ-OD2 3.17Å; K402-D406 WeakPolarHBondContact O-CB 3.46Å; K402-D406 VanDerWaalsContact O-CG 3.23Å; K402-D406 PolarHBondContact O-N 3.31Å
403	F	98.9	Very high	98.7	Very high	14 Å²	14	51 Å²	51	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-55	-42.5	176.4	-76.2	-68	0	0	0	112.1	K130 L304 C308 T382 P399 V400 D406 A407	K130-F403 WeakPolarHBondContact O-CZ 3.48Å; L304-F403 HydrophobicContact CB-CD1 4.01Å; L304-F403 HydrophobicContact CB-CE1 4.3Å; L304-F403 HydrophobicContact CD1-CD1 4.42Å; L304-F403 VanDerWaalsContact O-CD1 3.28Å; L304-F403 WeakPolarHBondContact O-CD1 3.47Å; C308-F403 HydrophobicContact CB-CB 3.77Å; C308-F403 HydrophobicContact CB-CD1 4.18Å; C308-F403 HydrophobicContact CB-CD2 3.83Å; C308-F403 HydrophobicContact CB-CE2 4.44Å; C308-F403 HydrophobicContact CB-CG 3.68Å; T382-F403 HydrophobicContact CG2-CB 3.84Å; P399-F403 HydrophobicContact CB-CD2 4.3Å; P399-F403 HydrophobicContact CB-CE2 4.04Å; P399-F403 HydrophobicContact CG-CE2 4.47Å; P399-F403 WeakPolarHBondContact O-CD2 3.22Å; P399-F403 PolarHBondContact O-N 2.84Å; V400-F403 PolarHBondContact O-N 3.12Å; F403-D406 PolarHBondContact O-N 3.42Å; F403-A407 WeakPolarHBondContact O-CB 3.23Å; F403-A407 PolarHBondContact O-N 2.79Å
404	F	98.9	Very high	98.6	Very high	74 Å²	74	52.3 Å²	52.3	33%	0.325	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-46.1	176.1	173.9	-100.4	0	0	0	113.4	M253 I386 V400 E401 K402 D406 A407	M253-F404 HydrophobicContact CE-CE1 4.3Å; I386-F404 HydrophobicContact CD1-CB 3.45Å; I386-F404 VanDerWaalsContact CD1-CB 3.45Å; I386-F404 HydrophobicContact CD1-CD1 4.1Å; I386-F404 HydrophobicContact CD1-CD2 4.27Å; I386-F404 HydrophobicContact CD1-CG 3.69Å; I386-F404 HydrophobicContact CG1-CB 4.49Å; V400-F404 PolarHBondContact O-N 3.36Å; V400-F404 VanDerWaalsContact O-N 3.09Å; E401-F404 PolarHBondContact O-N 3.49Å; K402-F404 VanDerWaalsContact C-N 3.26Å; K402-F404 PolarHBondContact O-N 3.04Å; F404-D406 VanDerWaalsContact C-N 3.31Å; F404-D406 PolarHBondContact O-N 2.87Å; F404-A407 PolarHBondContact O-N 3.27Å
405	R	98.9	Very high	98.6	Very high	29 Å²	29	43.8 Å²	43.8	11%	0.109	22%	0.215	C	C	.	.	H	α-helix	trans	-60.8	-43	175.9	-71.9	-176.5	-65.5	105.3	-6	111.6	D84 M253 E401 K402	D84-R405 VanDerWaalsContact CG-NH2 3.34Å; D84-R405 IonicContact OD1-CZ 2.65Å; D84-R405 IonicContact OD1-NH1 2.83Å; D84-R405 PolarHBondContact OD1-NH1 3.41Å; D84-R405 IonicContact OD1-NH2 3.71Å; D84-R405 PolarHBondContact OD1-NH2 2.94Å; D84-R405 IonicContact OD2-CZ 2.9Å; D84-R405 IonicContact OD2-NH1 2.67Å; D84-R405 PolarHBondContact OD2-NH1 3.41Å; D84-R405 IonicContact OD2-NH2 3.47Å; D84-R405 PolarHBondContact OD2-NH2 3.4Å; M253-R405 HydrophobicContact CE-CG 4.38Å; M253-R405 HydrophobicContact CG-CB 4.27Å; M253-R405 HydrophobicContact CG-CG 4.27Å; M253-R405 WeakPolarHBondContact O-CD 3.49Å; M253-R405 PolarHBondContact O-NH1 2.88Å; M253-R405 VanDerWaalsContact O-NH1 3.09Å; E401-R405 WeakPolarHBondContact O-CG 3.22Å; E401-R405 PolarHBondContact O-N 3.47Å; E401-R405 IonicContact OE1-CZ 3.11Å; E401-R405 IonicContact OE1-NE 3.6Å; E401-R405 IonicContact OE1-NH2 2.55Å; E401-R405 PolarHBondContact OE1-NH2 3.29Å; E401-R405 IonicContact OE2-CZ 2.71Å; E401-R405 IonicContact OE2-NE 3.5Å; E401-R405 PolarHBondContact OE2-NE 3.01Å; E401-R405 IonicContact OE2-NH2 2.71Å; E401-R405 PolarHBondContact OE2-NH2 2.85Å; K402-R405 PolarHBondContact O-N 3.29Å; K402-R405 VanDerWaalsContact O-N 3.15Å
406	D	98.9	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.8	-40.3	-178.9	-69.1	-2.9	0	0	0	111.5	A133 G254 I255 K402 F403 F404 K408 I409	A133-D406 HydrophobicContact CB-CB 4.01Å; G254-D406 VanDerWaalsContact CA-OD1 3.31Å; G254-D406 WeakPolarHBondContact CA-OD1 3.31Å; I255-D406 HydrophobicContact CG2-CB 4.18Å; I255-D406 PolarHBondContact N-OD1 3.46Å; K402-D406 IonicContact NZ-OD2 3.35Å; K402-D406 PolarHBondContact NZ-OD2 3.17Å; K402-D406 WeakPolarHBondContact O-CB 3.46Å; K402-D406 VanDerWaalsContact O-CG 3.23Å; K402-D406 PolarHBondContact O-N 3.31Å; F403-D406 PolarHBondContact O-N 3.42Å; F404-D406 VanDerWaalsContact C-N 3.31Å; F404-D406 PolarHBondContact O-N 2.87Å; D406-K408 PolarHBondContact O-N 2.95Å; D406-I409 VanDerWaalsContact O-CG2 3.25Å; D406-I409 WeakPolarHBondContact O-CG2 2.94Å; D406-I409 PolarHBondContact O-N 3.09Å
407	A	98.9	Very high	98.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-32.2	-179.7	0	0	0	0	0	113.5	L304 A378 T382 F403 F404 I409 G410	L304-A407 HydrophobicContact CD1-CB 3.7Å; A378-A407 HydrophobicContact CB-CB 4.22Å; T382-A407 HydrophobicContact CG2-CB 4.12Å; F403-A407 WeakPolarHBondContact O-CB 3.23Å; F403-A407 PolarHBondContact O-N 2.79Å; F404-A407 PolarHBondContact O-N 3.27Å; A407-I409 VanDerWaalsContact C-N 3.27Å; A407-I409 PolarHBondContact O-N 3.45Å; A407-G410 PolarHBondContact O-N 2.95Å
408	K	98.9	Very high	98.7	Very high	90 Å²	90	35.9 Å²	35.9	39%	0.391	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-61.6	-34.6	-173	-169	59.3	-109.3	162.7	0	112.6	M253 D406 G410 T411	M253-K408 HydrophobicContact CE-CB 4.14Å; M253-K408 HydrophobicContact CE-CG 4.28Å; M253-K408 HydrophobicContact SD-CB 4.26Å; M253-K408 HydrophobicContact SD-CG 4.19Å; D406-K408 PolarHBondContact O-N 2.95Å; K408-G410 PolarHBondContact O-N 3.41Å; K408-T411 WeakPolarHBondContact CE-OG1 3.39Å; K408-T411 PolarHBondContact NZ-OG1 2.94Å; K408-T411 PolarHBondContact O-N 3.39Å; K408-T411 PolarHBondContact O-OG1 3.43Å
409	I	98.8	Very high	98.7	Very high	43 Å²	43	34.2 Å²	34.2	22%	0.221	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-65	-25.2	-180	-160.9	66.1	0	0	0	112.5	I255 D406 A407 T411 I412 Y413	I255-I409 HydrophobicContact CD1-CB 4.2Å; I255-I409 HydrophobicContact CD1-CG1 3.82Å; I255-I409 HydrophobicContact CD1-CG2 3.86Å; I255-I409 HydrophobicContact CG1-CB 4.44Å; I255-I409 HydrophobicContact CG1-CG1 4.49Å; I255-I409 HydrophobicContact CG1-CG2 4.12Å; I255-I409 HydrophobicContact CG2-CG2 4.01Å; D406-I409 VanDerWaalsContact O-CG2 3.25Å; D406-I409 WeakPolarHBondContact O-CG2 2.94Å; D406-I409 PolarHBondContact O-N 3.09Å; A407-I409 VanDerWaalsContact C-N 3.27Å; A407-I409 PolarHBondContact O-N 3.45Å; I409-T411 PolarHBondContact O-N 3.34Å; I409-T411 VanDerWaalsContact O-N 3.1Å; I409-I412 HydrophobicContact CD1-CB 4.28Å; I409-I412 HydrophobicContact CD1-CD1 4.43Å; I409-I412 WeakPolarHBondContact O-CB 3.45Å; I409-I412 PolarHBondContact O-N 3.34Å; I409-Y413 HydrophobicContact CG1-CD1 4.35Å; I409-Y413 HydrophobicContact CG1-CD2 3.85Å; I409-Y413 HydrophobicContact CG1-CE2 4.14Å; I409-Y413 HydrophobicContact CG1-CG 3.96Å; I409-Y413 HydrophobicContact CG2-CD2 4.47Å; I409-Y413 HydrophobicContact CG2-CE1 4.23Å; I409-Y413 HydrophobicContact CG2-CE2 3.92Å; I409-Y413 WeakPolarHBondContact O-CD1 3.32Å; I409-Y413 WeakPolarHBondContact O-CE1 3.37Å; I409-Y413 PolarHBondContact O-N 3.36Å
410	G	98.8	Very high	98.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-45.3	-41.2	175.5	0	0	0	0	0	114.3	M301 K371 S375 A407 K408 I412	M301-G410 WeakPolarHBondContact SD-CA 3.29Å; K371-G410 VanDerWaalsContact CE-O 3.3Å; K371-G410 WeakPolarHBondContact CE-O 3.19Å; K371-G410 PolarHBondContact NZ-O 3.45Å; S375-G410 VanDerWaalsContact CB-C 3.41Å; S375-G410 WeakPolarHBondContact CB-O 2.92Å; A407-G410 PolarHBondContact O-N 2.95Å; K408-G410 PolarHBondContact O-N 3.41Å; G410-I412 VanDerWaalsContact C-N 3.29Å; G410-I412 PolarHBondContact O-N 2.91Å
411	T	98.9	Very high	98.7	Very high	15 Å²	15	35.5 Å²	35.5	9%	0.092	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-83.7	0.6	-176.7	59.4	0	0	0	0	113.8	E376 K408 I409 T416 S417	E376-T411 VanDerWaalsContact OE1-CG2 3.24Å; E376-T411 WeakPolarHBondContact OE1-CG2 3.28Å; K408-T411 WeakPolarHBondContact CE-OG1 3.39Å; K408-T411 PolarHBondContact NZ-OG1 2.94Å; K408-T411 PolarHBondContact O-N 3.39Å; K408-T411 PolarHBondContact O-OG1 3.43Å; I409-T411 PolarHBondContact O-N 3.34Å; I409-T411 VanDerWaalsContact O-N 3.1Å; T411-T416 VanDerWaalsContact O-CA 3.29Å; T411-T416 WeakPolarHBondContact O-CA 3.41Å; T411-S417 PolarHBondContact O-N 2.98Å
412	I	98.9	Very high	98.7	Very high	88 Å²	88	38.7 Å²	38.7	45%	0.451	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-65.8	-167.5	-56.8	172.8	0	0	0	112.5	I409 G410 G415 T416	I409-I412 HydrophobicContact CD1-CB 4.28Å; I409-I412 HydrophobicContact CD1-CD1 4.43Å; I409-I412 WeakPolarHBondContact O-CB 3.45Å; I409-I412 PolarHBondContact O-N 3.34Å; G410-I412 VanDerWaalsContact C-N 3.29Å; G410-I412 PolarHBondContact O-N 2.91Å; I412-G415 CarbonylContact O-C 3.49Å; I412-T416 WeakPolarHBondContact O-CA 2.93Å; I412-T416 WeakPolarHBondContact O-CG2 3.47Å; I412-T416 PolarHBondContact O-N 3.47Å
413	Y	98.3	Very high	98.7	Very high	37 Å²	37	39.4 Å²	39.4	15%	0.145	20%	0.203	C	C	.	.	S	Bend	trans	-69	168	-177.5	66.8	-4.5	0	0	0	112.5	L137 I297 Q300 M301 K371 I409 G415	L137-Y413 HydrophobicContact CD1-CE2 3.83Å; L137-Y413 HydrophobicContact CD2-CE2 4.14Å; I297-Y413 HydrophobicContact CB-CE1 4.46Å; I297-Y413 HydrophobicContact CD1-CE1 3.97Å; I297-Y413 HydrophobicContact CD1-CE2 3.92Å; I297-Y413 HydrophobicContact CG1-CE1 4.25Å; I297-Y413 HydrophobicContact CG2-CD1 4.28Å; I297-Y413 HydrophobicContact CG2-CE1 3.38Å; Q300-Y413 PolarHBondContact OE1-OH 2.92Å; M301-Y413 VanDerWaalsContact CE-OH 3.27Å; M301-Y413 WeakPolarHBondContact CE-OH 3.37Å; K371-Y413 WeakPolarHBondContact CE-O 3.48Å; K371-Y413 PolarHBondContact NZ-O 3.42Å; I409-Y413 HydrophobicContact CG1-CD1 4.35Å; I409-Y413 HydrophobicContact CG1-CD2 3.85Å; I409-Y413 HydrophobicContact CG1-CE2 4.14Å; I409-Y413 HydrophobicContact CG1-CG 3.96Å; I409-Y413 HydrophobicContact CG2-CD2 4.47Å; I409-Y413 HydrophobicContact CG2-CE1 4.23Å; I409-Y413 HydrophobicContact CG2-CE2 3.92Å; I409-Y413 WeakPolarHBondContact O-CD1 3.32Å; I409-Y413 WeakPolarHBondContact O-CE1 3.37Å; I409-Y413 PolarHBondContact O-N 3.36Å; Y413-G415 CarbonylContact O-C 3.57Å; Y413-G415 PolarHBondContact O-N 3.22Å
414	E	97.1	Very high	98.7	Very high	27 Å²	27	39.9 Å²	39.9	13%	0.126	21%	0.206	C	C	.	.	S	Bend	trans	55.7	28.7	179.3	-71.5	-111.8	-144.9	0	0	113.5	I145 L290 I297 Q420	I145-E414 WeakPolarHBondContact CD1-OE1 3.42Å; L290-E414 WeakPolarHBondContact CD2-OE2 3.41Å; I297-E414 HydrophobicContact CD1-CG 4.17Å; I297-E414 HydrophobicContact CG1-CB 3.88Å; I297-E414 HydrophobicContact CG1-CG 3.66Å; E414-Q420 PolarHBondContact O-NE2 3.34Å
415	G	97.9	Very high	98.7	Very high	20 Å²	20	39.1 Å²	39.1	21%	0.206	21%	0.213	C	C	.	.	S	Bend	trans	90.9	121.8	-171.9	0	0	0	0	0	111.8	K371 I412 Y413 Q420	K371-G415 PolarHBondContact NZ-O 3.44Å; I412-G415 CarbonylContact O-C 3.49Å; Y413-G415 CarbonylContact O-C 3.57Å; Y413-G415 PolarHBondContact O-N 3.22Å; G415-Q420 PolarHBondContact O-NE2 3.02Å
416	T	98.8	Very high	98.7	Very high	39 Å²	39	45.1 Å²	45.1	24%	0.239	24%	0.24	C	C	.	.			trans	-59.9	162.6	177.4	65	0	0	0	0	111.5	T411 I412 N418 I419 Q420	T411-T416 VanDerWaalsContact O-CA 3.29Å; T411-T416 WeakPolarHBondContact O-CA 3.41Å; I412-T416 WeakPolarHBondContact O-CA 2.93Å; I412-T416 WeakPolarHBondContact O-CG2 3.47Å; I412-T416 PolarHBondContact O-N 3.47Å; T416-N418 PolarHBondContact O-N 2.93Å; T416-N418 VanDerWaalsContact O-N 3.1Å; T416-I419 WeakPolarHBondContact O-CA 3.35Å; T416-I419 PolarHBondContact O-N 3.41Å; T416-I419 WeakPolarHBondContact OG1-CG1 3.43Å; T416-I419 PolarHBondContact OG1-N 2.83Å; T416-Q420 WeakPolarHBondContact O-CG 3.37Å; T416-Q420 PolarHBondContact O-N 3.25Å
417	S	98.8	Very high	98.6	Very high	11 Å²	11	48 Å²	48	8%	0.077	25%	0.254	C	S	.	.	H	α-helix	trans	-48.9	-39.9	175.1	-61	0	0	0	0	112.2	E376 T411 I419 Q420 L421	E376-S417 PolarHBondContact OE1-OG 3.5Å; T411-S417 PolarHBondContact O-N 2.98Å; S417-I419 PolarHBondContact O-N 3.32Å; S417-Q420 WeakPolarHBondContact O-CB 3.43Å; S417-Q420 PolarHBondContact O-N 3.15Å; S417-L421 WeakPolarHBondContact O-CG 3.31Å; S417-L421 PolarHBondContact O-N 2.76Å
418	N	98.8	Very high	98.6	Very high	111 Å²	111	51.3 Å²	51.3	59%	0.594	27%	0.271	S	S	*	.	H	α-helix	trans	-65.7	-37.5	176.5	-67.4	-2.3	0	0	0	113.1	T416 Q420 L421 N422	T416-N418 PolarHBondContact O-N 2.93Å; T416-N418 VanDerWaalsContact O-N 3.1Å; N418-Q420 VanDerWaalsContact C-N 3.33Å; N418-L421 PolarHBondContact O-N 3.35Å; N418-N422 WeakPolarHBondContact O-CB 3.35Å; N418-N422 PolarHBondContact O-N 2.87Å; N418-N422 PolarHBondContact O-ND2 3.17Å; N418-N422 PolarHBondContact O-OD1 3.37Å
419	I	98.8	Very high	98.6	Very high	43 Å²	43	53.2 Å²	53.2	22%	0.221	29%	0.285	C	S	.	.	H	α-helix	trans	-68.4	-35.5	175.5	-64.5	-60.9	0	0	0	111.2	T416 S417 T423	T416-I419 WeakPolarHBondContact O-CA 3.35Å; T416-I419 PolarHBondContact O-N 3.41Å; T416-I419 WeakPolarHBondContact OG1-CG1 3.43Å; T416-I419 PolarHBondContact OG1-N 2.83Å; S417-I419 PolarHBondContact O-N 3.32Å; I419-T423 WeakPolarHBondContact O-CB 3Å; I419-T423 PolarHBondContact O-N 3.01Å; I419-T423 PolarHBondContact O-OG1 2.9Å
420	Q	98.9	Very high	98.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-48.2	171.9	-52.6	-50	-36.2	0	0	110.7	R294 K371 E414 G415 T416 S417 N418 N422 T423 I424	R294-Q420 VanDerWaalsContact CD-OE1 3.31Å; K371-Q420 HydrophobicContact CD-CG 4.01Å; E414-Q420 PolarHBondContact O-NE2 3.34Å; G415-Q420 PolarHBondContact O-NE2 3.02Å; T416-Q420 WeakPolarHBondContact O-CG 3.37Å; T416-Q420 PolarHBondContact O-N 3.25Å; S417-Q420 WeakPolarHBondContact O-CB 3.43Å; S417-Q420 PolarHBondContact O-N 3.15Å; N418-Q420 VanDerWaalsContact C-N 3.33Å; Q420-N422 PolarHBondContact O-N 3.35Å; Q420-T423 WeakPolarHBondContact O-CB 3.41Å; Q420-T423 PolarHBondContact O-N 2.97Å; Q420-T423 VanDerWaalsContact O-N 3.09Å; Q420-I424 VanDerWaalsContact O-CG1 3.29Å; Q420-I424 WeakPolarHBondContact O-CG1 3.43Å; Q420-I424 PolarHBondContact O-N 2.68Å
421	L	98.9	Very high	98.4	Very high	69 Å²	69	59.6 Å²	59.6	36%	0.361	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-42.8	178.2	-68.9	172.6	0	0	0	112.3	Y372 S417 N418 T423 I424 A425	Y372-L421 HydrophobicContact CD1-CD2 4.29Å; Y372-L421 HydrophobicContact CD2-CD2 4.46Å; Y372-L421 HydrophobicContact CD2-CG 4.38Å; Y372-L421 HydrophobicContact CE1-CD2 4.01Å; Y372-L421 HydrophobicContact CE2-CD1 4.18Å; Y372-L421 HydrophobicContact CE2-CD2 4.2Å; Y372-L421 HydrophobicContact CE2-CG 4.19Å; Y372-L421 HydrophobicContact CG-CD2 4.5Å; S417-L421 WeakPolarHBondContact O-CG 3.31Å; S417-L421 PolarHBondContact O-N 2.76Å; N418-L421 PolarHBondContact O-N 3.35Å; L421-T423 VanDerWaalsContact C-N 3.28Å; L421-T423 PolarHBondContact O-N 3.24Å; L421-I424 PolarHBondContact O-N 2.99Å; L421-A425 WeakPolarHBondContact O-CB 3.2Å; L421-A425 PolarHBondContact O-N 3.08Å
422	N	98.8	Very high	98.1	Very high	92 Å²	92	69.3 Å²	69.3	49%	0.492	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-38.6	173.9	-71.5	-13.9	0	0	0	112	N418 Q420 K426	N418-N422 WeakPolarHBondContact O-CB 3.35Å; N418-N422 PolarHBondContact O-N 2.87Å; N418-N422 PolarHBondContact O-ND2 3.17Å; N418-N422 PolarHBondContact O-OD1 3.37Å; Q420-N422 PolarHBondContact O-N 3.35Å; N422-K426 VanDerWaalsContact O-CG 3.3Å; N422-K426 WeakPolarHBondContact O-CG 3.34Å; N422-K426 PolarHBondContact O-N 2.9Å; N422-K426 VanDerWaalsContact O-N 3.11Å
423	T	98.7	Very high	98.1	Very high	26 Å²	26	68.4 Å²	68.4	16%	0.16	37%	0.365	C	S	.	.	H	α-helix	trans	-67.6	-47.7	177.5	-57.3	0	0	0	0	110.4	I364 S368 I419 Q420 L421 A425 K426 H427	I364-T423 HydrophobicContact CG2-CG2 3.96Å; S368-T423 WeakPolarHBondContact OG-CG2 3.46Å; I419-T423 WeakPolarHBondContact O-CB 3Å; I419-T423 PolarHBondContact O-N 3.01Å; I419-T423 PolarHBondContact O-OG1 2.9Å; Q420-T423 WeakPolarHBondContact O-CB 3.41Å; Q420-T423 PolarHBondContact O-N 2.97Å; Q420-T423 VanDerWaalsContact O-N 3.09Å; L421-T423 VanDerWaalsContact C-N 3.28Å; L421-T423 PolarHBondContact O-N 3.24Å; T423-A425 PolarHBondContact O-N 2.99Å; T423-K426 PolarHBondContact O-N 3.24Å; T423-H427 PolarHBondContact O-CD2 3Å; T423-H427 VanDerWaalsContact O-CD2 3.3Å; T423-H427 PolarHBondContact O-N 3.06Å; T423-H427 VanDerWaalsContact O-N 3.15Å
424	I	98.8	Very high	98.1	Very high	23 Å²	23	70 Å²	70	12%	0.118	38%	0.377	C	S	.	.	H	α-helix	trans	-57.3	-50.1	176.1	-65.3	161	0	0	0	110.3	K365 M369 Q420 L421 K426 H427 I428	K365-I424 HydrophobicContact CG-CG2 4.48Å; M369-I424 HydrophobicContact CB-CD1 4.44Å; M369-I424 HydrophobicContact CE-CG2 3.86Å; M369-I424 HydrophobicContact CG-CD1 3.78Å; M369-I424 HydrophobicContact CG-CG1 3.96Å; Q420-I424 VanDerWaalsContact O-CG1 3.29Å; Q420-I424 WeakPolarHBondContact O-CG1 3.43Å; Q420-I424 PolarHBondContact O-N 2.68Å; L421-I424 PolarHBondContact O-N 2.99Å; I424-K426 VanDerWaalsContact C-N 3.33Å; I424-K426 PolarHBondContact O-N 2.99Å; I424-H427 PolarHBondContact O-N 3.14Å; I424-I428 HydrophobicContact CG2-CG1 4.28Å; I424-I428 WeakPolarHBondContact O-CG1 3.35Å; I424-I428 PolarHBondContact O-N 2.85Å
425	A	98.8	Very high	98.2	Very high	58 Å²	58	72.4 Å²	72.4	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-57.9	-43.1	-179.6	0	0	0	0	0	112.5	L421 T423 H427 I428 D429	L421-A425 WeakPolarHBondContact O-CB 3.2Å; L421-A425 PolarHBondContact O-N 3.08Å; T423-A425 PolarHBondContact O-N 2.99Å; A425-H427 VanDerWaalsContact C-N 3.31Å; A425-H427 PolarHBondContact O-N 2.85Å; A425-I428 PolarHBondContact O-N 3.23Å; A425-D429 WeakPolarHBondContact O-CB 3.47Å; A425-D429 PolarHBondContact O-N 2.83Å
426	K	98.6	Very high	98.2	Very high	155 Å²	155	75.5 Å²	75.5	67%	0.674	40%	0.402	S	S	*	.	H	α-helix	trans	-62.5	-34.9	175.6	-76.4	175.4	178.9	-177.4	0	113.4	N422 T423 I424 A430	N422-K426 VanDerWaalsContact O-CG 3.3Å; N422-K426 WeakPolarHBondContact O-CG 3.34Å; N422-K426 PolarHBondContact O-N 2.9Å; N422-K426 VanDerWaalsContact O-N 3.11Å; T423-K426 PolarHBondContact O-N 3.24Å; I424-K426 VanDerWaalsContact C-N 3.33Å; I424-K426 PolarHBondContact O-N 2.99Å; K426-A430 PolarHBondContact O-N 3.1Å
427	H	98.5	Very high	98.1	Very high	62 Å²	62	77.8 Å²	77.8	29%	0.287	41%	0.412	S	S	.	.	H	α-helix	trans	-74.1	-38.8	175.9	-83.9	-84.9	0	0	0	111.9	I364 K365 T423 I424 A425 D429 A430 E431	I364-H427 VanDerWaalsContact CG2-NE2 3.29Å; I364-H427 WeakPolarHBondContact CG2-NE2 3.36Å; K365-H427 HydrophobicContact CB-CB 3.88Å; K365-H427 HydrophobicContact CD-CB 4.01Å; K365-H427 HydrophobicContact CG-CB 4.01Å; T423-H427 PolarHBondContact O-CD2 3Å; T423-H427 VanDerWaalsContact O-CD2 3.3Å; T423-H427 PolarHBondContact O-N 3.06Å; T423-H427 VanDerWaalsContact O-N 3.15Å; I424-H427 PolarHBondContact O-N 3.14Å; A425-H427 VanDerWaalsContact C-N 3.31Å; A425-H427 PolarHBondContact O-N 2.85Å; H427-D429 VanDerWaalsContact C-N 3.34Å; H427-A430 PolarHBondContact O-N 3.31Å; H427-E431 WeakPolarHBondContact O-CG 2.9Å; H427-E431 PolarHBondContact O-N 2.95Å
428	I	98.4	Very high	98.1	Very high	68 Å²	68	82.2 Å²	82.2	35%	0.349	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-43.1	173.1	-64.4	-62.1	0	0	0	111	K365 I424 A425 A430 E431 F432	K365-I428 HydrophobicContact CD-CD1 4.05Å; I424-I428 HydrophobicContact CG2-CG1 4.28Å; I424-I428 WeakPolarHBondContact O-CG1 3.35Å; I424-I428 PolarHBondContact O-N 2.85Å; A425-I428 PolarHBondContact O-N 3.23Å; I428-A430 PolarHBondContact O-N 2.96Å; I428-E431 PolarHBondContact O-N 3.06Å; I428-E431 VanDerWaalsContact O-N 3.07Å; I428-F432 HydrophobicContact CG2-CD2 4.31Å; I428-F432 PolarHBondContact O-N 2.98Å
429	D	98.1	Very high	98	Very high	130 Å²	130	80.1 Å²	80.1	70%	0.695	42%	0.423	S	S	*	.	H	α-helix	trans	-61.1	-26.8	176.2	-173.3	53.1	0	0	0	113.2	A425 H427 F432	A425-D429 WeakPolarHBondContact O-CB 3.47Å; A425-D429 PolarHBondContact O-N 2.83Å; H427-D429 VanDerWaalsContact C-N 3.34Å; D429-F432 VanDerWaalsContact O-OXT 3.08Å
430	A	97.3	Very high	98	Very high	83 Å²	83	83 Å²	83	69%	0.686	44%	0.439	S	S	*	.	H	α-helix	trans	-87.3	-14.3	176.1	0	0	0	0	0	113.7	K426 H427 I428	K426-A430 PolarHBondContact O-N 3.1Å; H427-A430 PolarHBondContact O-N 3.31Å; I428-A430 PolarHBondContact O-N 2.96Å
431	E	97.1	Very high	97.9	Very high	95 Å²	95	89.9 Å²	89.9	44%	0.444	48%	0.475	S	S	.	.	H	α-helix	trans	-85.9	-21.2	-179.4	-78.6	166.2	-156.5	0	0	113	K365 H427 I428	K365-E431 WeakPolarHBondContact CD-OE1 3.47Å; K365-E431 WeakPolarHBondContact CE-OE1 3.43Å; K365-E431 IonicContact NZ-OE1 2.79Å; K365-E431 PolarHBondContact NZ-OE1 3.2Å; K365-E431 IonicContact NZ-OE2 2.81Å; K365-E431 PolarHBondContact NZ-OE2 3.33Å; H427-E431 WeakPolarHBondContact O-CG 2.9Å; H427-E431 PolarHBondContact O-N 2.95Å; I428-E431 PolarHBondContact O-N 3.06Å; I428-E431 VanDerWaalsContact O-N 3.07Å
432	F	92.9	Very high	97.8	Very high	218 Å²	218	91.8 Å²	91.8	96%	0.956	49%	0.485	S	S	*	.			trans	-125.2	0	-178.6	-63.3	-82.2	0	0	0	110.3	I428 D429	I428-F432 HydrophobicContact CG2-CD2 4.31Å; I428-F432 PolarHBondContact O-N 2.98Å; D429-F432 VanDerWaalsContact O-OXT 3.08Å

Retrieved 432 of 432 residues in 82.7 ms (Link to these results)

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