A0A087YKS6_POEFO Loading...

Ethylmalonyl-CoA decarboxylase

Decarboxylates ethylmalonyl-CoA, a potentially toxic metabolite, to form butyryl-CoA, suggesting it might be involved in metabolite proofreading. Acts preferentially on (S)-ethylmalonyl-CoA but also has some activity on the (R)-isomer. Also has methylmalonyl-CoA decarboxylase activity at lower level.

AlphaFold DB , UniProt , Accession A0A087YKS6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 313 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	32.5	Very low	246 Å²	246	169.5 Å²	169.5	100%	1.212	90%	0.895	S	S	*	*				0	114.5	0	-95.8	169.5	156.7	0	0	108
2	V	31.1	Very low	32.5	Very low	146 Å²	146	175.9 Å²	175.9	89%	0.885	90%	0.898	S	S	*	*			trans	-18	115.9	-176	-173.2	0	0	0	0	117.7
3	L	28.7	Very low	32.7	Very low	170 Å²	170	171.3 Å²	171.3	89%	0.89	89%	0.892	S	S	*	*			trans	-152.6	79	160.7	-129.9	136.2	0	0	0	108.8
4	C	32.7	Very low	32.8	Very low	127 Å²	127	166.9 Å²	166.9	86%	0.858	88%	0.882	S	S	*	*			trans	178.2	102.2	157.6	-121.9	0	0	0	0	110.1
5	A	35.1	Very low	32.8	Very low	91 Å²	91	162.2 Å²	162.2	75%	0.752	87%	0.869	S	S	*	*			trans	159.6	108.5	148.5	0	0	0	0	0	108.7
6	L	30.1	Very low	32.8	Very low	178 Å²	178	158.6 Å²	158.6	93%	0.932	86%	0.86	S	S	*	*				-178.5	93.5	124.6	-96	150.8	0	0	0	109.1
7	N	31.7	Very low	32.5	Very low	142 Å²	142	155.5 Å²	155.5	76%	0.759	85%	0.852	S	S	*	*			trans	-72.5	155	162.9	-163.7	-2.2	0	0	0	109
8	R	36.4	Very low	32.2	Very low	225 Å²	225	152.2 Å²	152.2	85%	0.849	84%	0.841	S	S	*	*			trans	88.3	87.6	168.6	-54.5	179.4	-179.6	-145.4	-0.6	118.1
9	Q	31.9	Very low	32.3	Very low	197 Å²	197	148.4 Å²	148.4	92%	0.921	82%	0.822	S	S	*	*			trans	-169.7	53.2	137.7	-109.9	171.9	16.2	0	0	113.4
10	L	30.2	Very low	32.2	Very low	173 Å²	173	149.5 Å²	149.5	91%	0.906	82%	0.818	S	S	*	*			trans	-139	55.7	172.1	-86.7	168.1	0	0	0	111.6
11	L	32.8	Very low	32	Very low	169 Å²	169	149.8 Å²	149.8	89%	0.885	82%	0.815	S	S	*	*			trans	-149.7	64.1	170.8	-84.4	173.3	0	0	0	110.6
12	R	32.9	Very low	31.6	Very low	247 Å²	247	140.8 Å²	140.8	93%	0.932	78%	0.781	S	S	*	*			trans	-154.3	84.4	162.7	-77.6	-162.4	175.8	174.2	-2.5	111.5
13	S	35.5	Very low	31.7	Very low	116 Å²	116	142 Å²	142	81%	0.811	77%	0.769	S	S	*	*			trans	-168.5	45.8	150.4	62.5	0	0	0	0	113.3
14	S	33.8	Very low	31.8	Very low	109 Å²	109	140 Å²	140	76%	0.762	76%	0.759	S	S	*	*			trans	-94.8	13.2	171.5	44.4	0	0	0	0	113.9
15	S	32.5	Very low	31.5	Very low	97 Å²	97	140.8 Å²	140.8	68%	0.678	75%	0.75	S	S	*	*	H	α-helix	trans	-88.4	-8.6	-177.3	-50.9	0	0	0	0	115
16	S	33.3	Very low	31.4	Very low	105 Å²	105	141.4 Å²	141.4	73%	0.734	74%	0.744	S	S	*	*	H	α-helix	trans	-85.5	-23.2	-177.4	-132.4	0	0	0	0	113.8
17	C	27.1	Very low	31.7	Very low	106 Å²	106	136.7 Å²	136.7	72%	0.716	73%	0.726	S	S	*	*	H	α-helix	trans	-81.9	-29.7	-178.6	-140.4	0	0	0	0	112.3	F20	C17-F20 PolarHBondContact O-N 3.33Å
18	C	27.7	Very low	31.7	Very low	96 Å²	96	133.9 Å²	133.9	65%	0.649	72%	0.718	S	S	*	*	H	α-helix	trans	-73.5	-30	-178.4	-124.8	0	0	0	0	113.2	F20 M21 A22	C18-F20 VanDerWaalsContact C-N 3.27Å; C18-F20 PolarHBondContact O-N 3.44Å; C18-M21 PolarHBondContact O-N 3.23Å; C18-A22 PolarHBondContact O-N 3.47Å; C18-A22 VanDerWaalsContact O-N 3.14Å
19	V	33.6	Very low	31.9	Very low	80 Å²	80	133.5 Å²	133.5	49%	0.485	72%	0.717	S	S	.	*	H	α-helix	trans	-70.6	-26.1	177.4	-178.9	0	0	0	0	111.6
20	F	30.1	Very low	32.7	Very low	170 Å²	170	131.7 Å²	131.7	75%	0.746	70%	0.701	S	S	*	*	H	α-helix	trans	-76.4	-35.1	177.6	-133	-93.5	0	0	0	112.4	C17 C18	C17-F20 PolarHBondContact O-N 3.33Å; C18-F20 VanDerWaalsContact C-N 3.27Å; C18-F20 PolarHBondContact O-N 3.44Å
21	M	28.3	Very low	33.8	Very low	155 Å²	155	132.5 Å²	132.5	76%	0.764	69%	0.692	S	S	*	*	H	α-helix	trans	-76.7	-32.1	174.5	-83.5	-164.1	166.3	0	0	113.4	C18 R23 L24	C18-M21 PolarHBondContact O-N 3.23Å; M21-R23 PolarHBondContact O-N 3.06Å; M21-L24 PolarHBondContact O-N 3.49Å
22	A	28.2	Very low	35.1	Very low	58 Å²	58	133.3 Å²	133.3	48%	0.479	68%	0.684	S	S	.	*	H	α-helix	trans	-68.8	-21	177	0	0	0	0	0	113.5	C18	C18-A22 PolarHBondContact O-N 3.47Å; C18-A22 VanDerWaalsContact O-N 3.14Å
23	R	33.5	Very low	37	Very low	170 Å²	170	122 Å²	122	64%	0.642	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-84.8	-8.9	179.6	-77.4	-178.2	176.8	-167.9	-0.1	114.9	M21 Q25 T26	M21-R23 PolarHBondContact O-N 3.06Å; R23-Q25 VanDerWaalsContact C-N 3.29Å; R23-T26 PolarHBondContact O-OG1 2.94Å
24	L	29.4	Very low	39	Very low	128 Å²	128	119.7 Å²	119.7	67%	0.67	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-79.4	-12.2	170.4	-77.2	159.7	0	0	0	112.7	M21 T26 S27	M21-L24 PolarHBondContact O-N 3.49Å; L24-T26 VanDerWaalsContact C-N 3.3Å; L24-T26 PolarHBondContact O-N 3.03Å; L24-S27 PolarHBondContact O-N 2.96Å
25	Q	28.4	Very low	41.3	Very low	145 Å²	145	116.7 Å²	116.7	68%	0.678	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-73.1	-16.3	178.2	-72.3	-176	-31.3	0	0	114	R23 S27 S28	R23-Q25 VanDerWaalsContact C-N 3.29Å; Q25-S27 VanDerWaalsContact C-N 3.27Å; Q25-S27 PolarHBondContact O-N 3.05Å; Q25-S28 PolarHBondContact O-N 3.11Å
26	T	32.7	Very low	43.1	Very low	103 Å²	103	115.6 Å²	115.6	63%	0.632	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-74.8	-18.2	175.6	56.7	0	0	0	0	112.8	R23 L24	R23-T26 PolarHBondContact O-OG1 2.94Å; L24-T26 VanDerWaalsContact C-N 3.3Å; L24-T26 PolarHBondContact O-N 3.03Å
27	S	35.1	Very low	44.9	Very low	80 Å²	80	116 Å²	116	56%	0.559	59%	0.587	S	S	*	*	S	Bend	trans	-71.4	-31.4	174	-175.7	0	0	0	0	112.5	L24 Q25 R29 R30	L24-S27 PolarHBondContact O-N 2.96Å; Q25-S27 VanDerWaalsContact C-N 3.27Å; Q25-S27 PolarHBondContact O-N 3.05Å; S27-R29 VanDerWaalsContact C-N 3.31Å; S27-R29 PolarHBondContact O-N 3Å; S27-R30 PolarHBondContact O-N 3.15Å
28	S	31.5	Very low	47.3	Very low	83 Å²	83	113.7 Å²	113.7	58%	0.58	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-74	-18.7	-174.1	111.8	0	0	0	0	113.9	Q25 R30	Q25-S28 PolarHBondContact O-N 3.11Å; S28-R30 PolarHBondContact O-N 3.18Å
29	R	41.5	Very low	49.3	Very low	217 Å²	217	118.3 Å²	118.3	82%	0.819	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-68.1	-17	174.4	-93.9	-175.3	172.8	-174.1	-2	113.7	S27 R31	S27-R29 VanDerWaalsContact C-N 3.31Å; S27-R29 PolarHBondContact O-N 3Å; R29-R31 PolarHBondContact O-N 3.34Å
30	R	49.1	Very low	50.9	Low	158 Å²	158	117.3 Å²	117.3	60%	0.596	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-78.7	-15.4	-171.2	-75.3	180	169.1	-151.1	-16.3	115.5	S27 S28	S27-R30 PolarHBondContact O-N 3.15Å; S28-R30 PolarHBondContact O-N 3.18Å
31	R	53.5	Low	53.4	Low	190 Å²	190	110.4 Å²	110.4	72%	0.717	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-109.7	1.5	-177.2	-69.4	-173	179.5	-175.7	0.2	114.6	R29	R29-R31 PolarHBondContact O-N 3.34Å
32	R	59.6	Low	56.1	Low	187 Å²	187	107 Å²	107	71%	0.706	54%	0.542	S	S	*	.	S	Bend	trans	-86.5	132	178	-87.6	-176.8	171.6	174.2	-2.7	109.8	L34	R32-L34 PolarHBondContact O-N 3.47Å
33	C	73.8	Confident	58.8	Low	10 Å²	10	106.5 Å²	106.5	7%	0.068	53%	0.53	C	S	.	.			trans	-46.5	135.6	168.2	177.8	0	0	0	0	110.1	Y35 S36 D141	C33-Y35 PolarHBondContact O-N 3.35Å; C33-S36 VanDerWaalsContact O-CB 3.31Å; C33-S36 WeakPolarHBondContact O-CB 3.49Å; C33-S36 PolarHBondContact O-N 3.22Å; C33-S36 PolarHBondContact O-OG 3.42Å; C33-D141 VanDerWaalsContact CA-OD1 3.24Å; C33-D141 WeakPolarHBondContact CA-OD1 3.39Å; C33-D141 VanDerWaalsContact SG-CG 3.58Å
34	L	76.4	Confident	61.4	Low	67 Å²	67	102 Å²	102	35%	0.351	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-30.8	178.3	-69.8	-179	0	0	0	112.6	R32 D141 T144	R32-L34 PolarHBondContact O-N 3.47Å; L34-D141 WeakPolarHBondContact CG-OD1 3.44Å; L34-D141 PolarHBondContact N-OD1 3.06Å; L34-T144 HydrophobicContact CD1-CG2 3.91Å; L34-T144 HydrophobicContact CD2-CG2 4.41Å
35	Y	82.9	Confident	64.2	Low	46 Å²	46	99.1 Å²	99.1	18%	0.18	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	17.6	-175	-50.4	-76.7	0	0	0	113.7	C33 S37 T38 M137 Q140 D141	C33-Y35 PolarHBondContact O-N 3.35Å; Y35-S37 PolarHBondContact O-N 3.02Å; Y35-T38 WeakPolarHBondContact O-CB 3.44Å; Y35-T38 PolarHBondContact O-N 2.81Å; Y35-M137 HydrophobicContact CD1-CE 3.64Å; Y35-M137 HydrophobicContact CD1-CG 4.26Å; Y35-M137 HydrophobicContact CD2-CB 3.7Å; Y35-M137 HydrophobicContact CD2-CE 4.16Å; Y35-M137 HydrophobicContact CD2-CG 4.17Å; Y35-M137 WeakPolarHBondContact CD2-O 3.45Å; Y35-M137 HydrophobicContact CE1-CG 4.38Å; Y35-M137 HydrophobicContact CE2-CB 3.95Å; Y35-M137 HydrophobicContact CE2-CG 4.34Å; Y35-M137 WeakPolarHBondContact CE2-O 3.48Å; Y35-M137 HydrophobicContact CG-CB 4.11Å; Y35-M137 HydrophobicContact CG-CE 3.4Å; Y35-M137 HydrophobicContact CG-CG 4.16Å; Y35-Q140 HydrophobicContact CE2-CB 4.08Å; Y35-Q140 WeakPolarHBondContact OH-CB 3.48Å; Y35-Q140 PolarHBondContact OH-OE1 2.99Å; Y35-D141 HydrophobicContact CD2-CB 4.5Å; Y35-D141 HydrophobicContact CE2-CB 4.42Å
36	S	70.2	Confident	67.1	Low	74 Å²	74	92.4 Å²	92.4	52%	0.517	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.1	-178.6	52.1	0	0	0	0	114.5	C33	C33-S36 VanDerWaalsContact O-CB 3.31Å; C33-S36 WeakPolarHBondContact O-CB 3.49Å; C33-S36 PolarHBondContact O-N 3.22Å; C33-S36 PolarHBondContact O-OG 3.42Å
37	S	71.2	Confident	69.9	Low	112 Å²	112	89.7 Å²	89.7	78%	0.783	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	0.9	174.7	58.5	0	0	0	0	114.3	Y35 H39	Y35-S37 PolarHBondContact O-N 3.02Å; S37-H39 PolarHBondContact O-N 3.25Å
38	T	76.9	Confident	72.5	Confident	59 Å²	59	91.6 Å²	91.6	36%	0.362	45%	0.447	S	S	.	.	S	Bend	trans	-79	121.3	-178.7	-57.1	0	0	0	0	110	Y35 G40 F41 M137	Y35-T38 WeakPolarHBondContact O-CB 3.44Å; Y35-T38 PolarHBondContact O-N 2.81Å; T38-G40 PolarHBondContact O-N 3.08Å; T38-F41 PolarHBondContact O-N 2.96Å; T38-M137 HydrophobicContact CG2-CE 3.7Å
39	H	69.4	Low	75.3	Confident	192 Å²	192	92 Å²	92	89%	0.889	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	129.4	179.4	-164.1	75.6	0	0	0	111	S37	S37-H39 PolarHBondContact O-N 3.25Å
40	G	68.3	Low	77.7	Confident	59 Å²	59	81.9 Å²	81.9	61%	0.608	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-1.2	178.2	0	0	0	0	0	116.3	T38	T38-G40 PolarHBondContact O-N 3.08Å
41	F	81.5	Confident	79.7	Confident	25 Å²	25	80.2 Å²	80.2	11%	0.11	39%	0.394	C	S	.	.			trans	-99.1	115.8	171.5	-178.5	-105.3	0	0	0	111.5	T38 Q43 K134 M137	T38-F41 PolarHBondContact O-N 2.96Å; F41-Q43 HydrophobicContact CE1-CB 4.02Å; F41-Q43 HydrophobicContact CZ-CB 4.32Å; F41-K134 HydrophobicContact CD2-CG 4.46Å; F41-M137 HydrophobicContact CB-CE 3.35Å; F41-M137 HydrophobicContact CB-SD 4.17Å; F41-M137 HydrophobicContact CD1-CE 3.97Å; F41-M137 HydrophobicContact CD2-CB 3.95Å; F41-M137 HydrophobicContact CD2-CE 3.69Å; F41-M137 HydrophobicContact CD2-SD 3.82Å; F41-M137 HydrophobicContact CE2-CB 3.7Å; F41-M137 HydrophobicContact CE2-CE 4.47Å; F41-M137 HydrophobicContact CG-CE 3.39Å; F41-M137 HydrophobicContact CG-SD 4.13Å; F41-M137 HydrophobicContact CZ-CB 4.15Å
42	N	84.7	Confident	81.4	Confident	83 Å²	83	74.4 Å²	74.4	44%	0.444	39%	0.387	S	S	.	.			trans	-115.5	113.8	170.5	-175	-32.9	0	0	0	108.7	E44 E45 T46	N42-E44 VanDerWaalsContact C-N 3.32Å; N42-E44 PolarHBondContact O-N 3.44Å; N42-E44 PolarHBondContact OD1-N 3.27Å; N42-E45 HydrophobicContact CB-CB 3.9Å; N42-E45 PolarHBondContact OD1-N 3.19Å; N42-T46 WeakPolarHBondContact O-CB 3.41Å; N42-T46 PolarHBondContact O-N 2.73Å; N42-T46 PolarHBondContact O-OG1 2.85Å
43	Q	84.3	Confident	82.9	Confident	49 Å²	49	68.3 Å²	68.3	23%	0.229	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-37.7	-176.5	-170.5	175.9	9	0	0	112	F41 T46 R47 F138	F41-Q43 HydrophobicContact CE1-CB 4.02Å; F41-Q43 HydrophobicContact CZ-CB 4.32Å; Q43-T46 PolarHBondContact O-N 3.08Å; Q43-R47 WeakPolarHBondContact O-CB 3.33Å; Q43-R47 PolarHBondContact O-N 2.81Å; Q43-F138 HydrophobicContact CG-CD2 4.46Å; Q43-F138 HydrophobicContact CG-CE2 4.34Å
44	E	88.5	Confident	83.7	Confident	76 Å²	76	72.8 Å²	72.8	36%	0.355	40%	0.395	S	S	.	.	H	α-helix	trans	-73.9	-41.5	-178.5	-173.3	55	-147.1	0	0	111.7	N42 T46 R47 Q48	N42-E44 VanDerWaalsContact C-N 3.32Å; N42-E44 PolarHBondContact O-N 3.44Å; N42-E44 PolarHBondContact OD1-N 3.27Å; E44-T46 VanDerWaalsContact C-N 3.29Å; E44-T46 PolarHBondContact O-N 2.84Å; E44-R47 WeakPolarHBondContact O-CB 3.34Å; E44-R47 PolarHBondContact O-N 3.03Å; E44-R47 IonicContact OE2-CZ 2.81Å; E44-R47 IonicContact OE2-NH1 3.52Å; E44-R47 PolarHBondContact OE2-NH1 2.99Å; E44-Q48 WeakPolarHBondContact O-CG 3.43Å; E44-Q48 PolarHBondContact O-N 2.9Å
45	E	88.6	Confident	84.5	Confident	66 Å²	66	71.1 Å²	71.1	31%	0.308	39%	0.394	S	S	.	.	H	α-helix	trans	-59.2	-43.7	172.5	-172.5	-153.6	139.4	0	0	110.8	N42 Q48 K49 K134	N42-E45 HydrophobicContact CB-CB 3.9Å; N42-E45 PolarHBondContact OD1-N 3.19Å; E45-Q48 PolarHBondContact O-N 3.05Å; E45-K49 PolarHBondContact O-N 3.03Å; E45-K49 VanDerWaalsContact O-N 3.07Å; E45-K49 WeakPolarHBondContact OE1-CE 3.43Å; E45-K49 IonicContact OE1-NZ 2.7Å; E45-K49 PolarHBondContact OE1-NZ 3.28Å; E45-K134 IonicContact OE1-NZ 2.56Å; E45-K134 PolarHBondContact OE1-NZ 2.97Å; E45-K134 IonicContact OE2-NZ 2.7Å
46	T	89	Confident	85.1	Confident	5 Å²	5	71 Å²	71	3%	0.031	41%	0.406	C	S	.	.	H	α-helix	trans	-64.5	-42.6	178.4	-54.8	0	0	0	0	110.8	N42 Q43 E44 Q48 K49 L50 K134 F138	N42-T46 WeakPolarHBondContact O-CB 3.41Å; N42-T46 PolarHBondContact O-N 2.73Å; N42-T46 PolarHBondContact O-OG1 2.85Å; Q43-T46 PolarHBondContact O-N 3.08Å; E44-T46 VanDerWaalsContact C-N 3.29Å; E44-T46 PolarHBondContact O-N 2.84Å; T46-Q48 PolarHBondContact O-N 3.23Å; T46-K49 PolarHBondContact O-N 3.13Å; T46-L50 HydrophobicContact CG2-CD1 4.02Å; T46-L50 HydrophobicContact CG2-CG 4.37Å; T46-L50 WeakPolarHBondContact O-CB 3.47Å; T46-L50 WeakPolarHBondContact O-CG 3.5Å; T46-L50 PolarHBondContact O-N 2.93Å; T46-K134 HydrophobicContact CG2-CB 4.13Å; T46-F138 HydrophobicContact CG2-CB 4.11Å; T46-F138 HydrophobicContact CG2-CD2 4.06Å; T46-F138 HydrophobicContact CG2-CG 4.33Å
47	R	91.7	Very high	86.4	Confident	46 Å²	46	69 Å²	69	17%	0.174	39%	0.392	C	S	.	.	H	α-helix	trans	-57.6	-46.7	175	-175.1	-178.1	-76.5	143	-8.4	111.5	Q43 E44 K49 L50 R51 V87 E90 F138	Q43-R47 WeakPolarHBondContact O-CB 3.33Å; Q43-R47 PolarHBondContact O-N 2.81Å; E44-R47 WeakPolarHBondContact O-CB 3.34Å; E44-R47 PolarHBondContact O-N 3.03Å; E44-R47 IonicContact OE2-CZ 2.81Å; E44-R47 IonicContact OE2-NH1 3.52Å; E44-R47 PolarHBondContact OE2-NH1 2.99Å; R47-K49 PolarHBondContact O-N 3.02Å; R47-L50 PolarHBondContact O-N 3.5Å; R47-R51 WeakPolarHBondContact O-CG 3.32Å; R47-R51 PolarHBondContact O-N 3.21Å; R47-V87 HydrophobicContact CB-CG2 4.48Å; R47-V87 HydrophobicContact CG-CB 4.37Å; R47-V87 HydrophobicContact CG-CG1 3.59Å; R47-V87 HydrophobicContact CG-CG2 3.81Å; R47-E90 IonicContact CZ-OE2 3.61Å; R47-E90 IonicContact NE-OE2 2.91Å; R47-E90 IonicContact NH2-OE1 3.48Å; R47-E90 PolarHBondContact NH2-OE1 3.36Å; R47-E90 IonicContact NH2-OE2 3.95Å; R47-E90 PolarHBondContact NH2-OE2 3.22Å; R47-F138 HydrophobicContact CB-CE2 4.46Å
48	Q	90.5	Very high	87.7	Confident	119 Å²	119	63.7 Å²	63.7	56%	0.556	36%	0.355	S	S	*	.	H	α-helix	trans	-61.4	-44.7	178.7	-71.8	173.1	5.6	0	0	112.1	E44 E45 T46 R51 A52	E44-Q48 WeakPolarHBondContact O-CG 3.43Å; E44-Q48 PolarHBondContact O-N 2.9Å; E45-Q48 PolarHBondContact O-N 3.05Å; T46-Q48 PolarHBondContact O-N 3.23Å; Q48-R51 PolarHBondContact O-N 3.4Å; Q48-A52 PolarHBondContact O-N 3.04Å
49	K	89.4	Confident	88.8	Confident	92 Å²	92	64 Å²	64	40%	0.4	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-44.2	175.9	-75.4	176.3	169.8	173.6	0	112.5	E45 T46 R47 A52 F53 D131	E45-K49 PolarHBondContact O-N 3.03Å; E45-K49 VanDerWaalsContact O-N 3.07Å; E45-K49 WeakPolarHBondContact OE1-CE 3.43Å; E45-K49 IonicContact OE1-NZ 2.7Å; E45-K49 PolarHBondContact OE1-NZ 3.28Å; T46-K49 PolarHBondContact O-N 3.13Å; R47-K49 PolarHBondContact O-N 3.02Å; K49-A52 WeakPolarHBondContact O-CB 3.37Å; K49-A52 PolarHBondContact O-N 3.5Å; K49-F53 VanDerWaalsContact O-CD2 3.31Å; K49-F53 WeakPolarHBondContact O-CD2 3.34Å; K49-F53 WeakPolarHBondContact O-CE2 3.26Å; K49-D131 IonicContact NZ-OD1 2.79Å
50	L	91.3	Very high	90.2	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-64.4	-40.6	179.1	-72.6	174.3	0	0	0	111.8	T46 R47 A52 F53 G83 S84 M86 V87 I126 F138	T46-L50 HydrophobicContact CG2-CD1 4.02Å; T46-L50 HydrophobicContact CG2-CG 4.37Å; T46-L50 WeakPolarHBondContact O-CB 3.47Å; T46-L50 WeakPolarHBondContact O-CG 3.5Å; T46-L50 PolarHBondContact O-N 2.93Å; R47-L50 PolarHBondContact O-N 3.5Å; L50-A52 PolarHBondContact O-N 2.89Å; L50-A52 VanDerWaalsContact O-N 3.14Å; L50-F53 PolarHBondContact O-N 3.35Å; L50-G83 CarbonylContact O-C 3.04Å; L50-G83 WeakPolarHBondContact O-CA 3.41Å; L50-S84 PolarHBondContact O-N 3.06Å; L50-M86 HydrophobicContact CD1-CB 4.32Å; L50-M86 HydrophobicContact CD1-SD 4.5Å; L50-M86 HydrophobicContact CD2-SD 3.97Å; L50-V87 HydrophobicContact CB-CG2 3.78Å; L50-V87 HydrophobicContact CD1-CG2 4.31Å; L50-I126 HydrophobicContact CD2-CD1 3.95Å; L50-F138 HydrophobicContact CD1-CB 4.41Å; L50-F138 HydrophobicContact CD1-CD1 3.7Å; L50-F138 HydrophobicContact CD1-CD2 4.18Å; L50-F138 HydrophobicContact CD1-CE1 3.96Å; L50-F138 HydrophobicContact CD1-CE2 4.41Å; L50-F138 HydrophobicContact CD1-CG 3.83Å; L50-F138 HydrophobicContact CD1-CZ 4.32Å
51	R	91.9	Very high	91.6	Very high	122 Å²	122	58.8 Å²	58.8	46%	0.46	32%	0.318	S	S	.	.	H	α-helix	trans	-60.3	-22.9	176.4	-77.7	-178.3	176.4	169.5	0.1	114	R47 Q48 F53 V87 E91	R47-R51 WeakPolarHBondContact O-CG 3.32Å; R47-R51 PolarHBondContact O-N 3.21Å; Q48-R51 PolarHBondContact O-N 3.4Å; R51-F53 PolarHBondContact O-N 2.91Å; R51-V87 HydrophobicContact CG-CB 4.33Å; R51-V87 HydrophobicContact CG-CG1 4.25Å; R51-V87 HydrophobicContact CG-CG2 4.13Å; R51-E91 IonicContact CZ-OE1 3.5Å; R51-E91 IonicContact NH2-OE1 3.74Å; R51-E91 PolarHBondContact NH2-OE1 3.04Å
52	A	89.9	Confident	92.4	Very high	69 Å²	69	61.5 Å²	61.5	57%	0.57	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-10.4	176.3	0	0	0	0	0	113.7	Q48 K49 L50 P54	Q48-A52 PolarHBondContact O-N 3.04Å; K49-A52 WeakPolarHBondContact O-CB 3.37Å; K49-A52 PolarHBondContact O-N 3.5Å; L50-A52 PolarHBondContact O-N 2.89Å; L50-A52 VanDerWaalsContact O-N 3.14Å; A52-P54 WeakPolarHBondContact O-CD 3.48Å
53	F	90.4	Very high	93	Very high	59 Å²	59	60 Å²	60	26%	0.259	32%	0.321	S	S	.	.	S	Bend	trans	-111.7	83.7	177.7	-56	-72.1	0	0	0	110.2	K49 L50 R51 S82 G83 S84 A122 A125 I126	K49-F53 VanDerWaalsContact O-CD2 3.31Å; K49-F53 WeakPolarHBondContact O-CD2 3.34Å; K49-F53 WeakPolarHBondContact O-CE2 3.26Å; L50-F53 PolarHBondContact O-N 3.35Å; R51-F53 PolarHBondContact O-N 2.91Å; F53-S82 WeakPolarHBondContact O-CB 3.5Å; F53-G83 PolarHBondContact O-N 3.21Å; F53-G83 VanDerWaalsContact O-N 3.09Å; F53-S84 PolarHBondContact O-N 3.31Å; F53-A122 HydrophobicContact CB-CB 4.15Å; F53-A122 HydrophobicContact CG-CB 4.37Å; F53-A125 HydrophobicContact CD1-CB 4.04Å; F53-A125 HydrophobicContact CE1-CB 3.11Å; F53-A125 HydrophobicContact CE2-CB 4.42Å; F53-A125 HydrophobicContact CZ-CB 3.34Å; F53-I126 HydrophobicContact CE2-CG1 4.21Å
54	P	91.4	Very high	93.5	Very high	104 Å²	104	66.2 Å²	66.2	68%	0.675	36%	0.355	S	S	*	.			trans	-77.6	163.7	-175.2	33.3	-37.6	0	0	0	112.7	A52 S84	A52-P54 WeakPolarHBondContact O-CD 3.48Å; P54-S84 WeakPolarHBondContact CA-OG 3.46Å
55	G	92.6	Very high	93.7	Very high	32 Å²	32	65.6 Å²	65.6	33%	0.33	36%	0.359	S	S	.	.			trans	143.2	137.6	169.4	0	0	0	0	0	111.2	S82 S84 M85	G55-S82 VanDerWaalsContact O-CB 3.3Å; G55-S82 WeakPolarHBondContact O-CB 3.49Å; G55-S82 PolarHBondContact O-OG 2.98Å; G55-S84 PolarHBondContact N-OG 3.46Å; G55-M85 VanDerWaalsContact O-CG 3.23Å; G55-M85 WeakPolarHBondContact O-CG 3.46Å
56	G	95.8	Very high	94.2	Very high	42 Å²	42	62.7 Å²	62.7	43%	0.433	35%	0.347	S	S	.	.			trans	63	-169.8	-175.8	0	0	0	0	0	114.3	N73	G56-N73 CarbonylContact C-O 3.49Å; G56-N73 WeakPolarHBondContact CA-O 3.46Å
57	S	97.8	Very high	94.6	Very high	32 Å²	32	62.9 Å²	62.9	22%	0.224	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	163.3	176.2	62.4	0	0	0	0	111.8	D59 N73	S57-D59 WeakPolarHBondContact CB-OD1 3.39Å; S57-D59 PolarHBondContact OG-OD1 3.05Å; S57-D59 PolarHBondContact OG-OD2 3.35Å; S57-N73 PolarHBondContact N-O 3.36Å; S57-N73 PolarHBondContact O-N 2.78Å
58	V	98.6	Very high	94.9	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	107.9	163.3	-178.1	0	0	0	0	108.8	L70 I72 F81 M85 D88 L89 K92	V58-L70 HydrophobicContact CG1-CD1 3.98Å; V58-L70 HydrophobicContact CG1-CD2 3.9Å; V58-L70 HydrophobicContact CG1-CG 3.82Å; V58-I72 HydrophobicContact CG1-CD1 4.02Å; V58-I72 HydrophobicContact CG2-CD1 4.13Å; V58-F81 HydrophobicContact CG2-CE1 4.06Å; V58-F81 HydrophobicContact CG2-CZ 4.47Å; V58-M85 HydrophobicContact CG2-CB 4.12Å; V58-M85 HydrophobicContact CG2-CE 4.44Å; V58-M85 HydrophobicContact CG2-CG 4.48Å; V58-M85 WeakPolarHBondContact CG2-O 3.28Å; V58-D88 HydrophobicContact CB-CB 3.82Å; V58-D88 HydrophobicContact CG2-CB 4.03Å; V58-L89 HydrophobicContact CG1-CD1 4.41Å; V58-L89 HydrophobicContact CG2-CB 4.28Å; V58-K92 HydrophobicContact CG1-CG 4.06Å; V58-K92 WeakPolarHBondContact O-CE 3.4Å
59	D	98.6	Very high	95.3	Very high	64 Å²	64	55.3 Å²	55.3	34%	0.342	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	140.4	-173.6	-53.6	-35.6	0	0	0	110.1	S57 L70 T71 N73	S57-D59 WeakPolarHBondContact CB-OD1 3.39Å; S57-D59 PolarHBondContact OG-OD1 3.05Å; S57-D59 PolarHBondContact OG-OD2 3.35Å; D59-L70 CarbonylContact O-C 3.55Å; D59-L70 WeakPolarHBondContact O-CA 3.3Å; D59-T71 PolarHBondContact N-O 2.97Å; D59-T71 PolarHBondContact O-N 3.21Å; D59-N73 WeakPolarHBondContact OD2-CB 3.49Å; D59-N73 PolarHBondContact OD2-ND2 3.24Å
60	L	98.8	Very high	95.8	Very high	36 Å²	36	50.9 Å²	50.9	19%	0.188	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	117.6	-180	177	63.4	0	0	0	110.7	A68 L70 K92 Q95 L96	L60-A68 HydrophobicContact CD1-CB 4Å; L60-L70 HydrophobicContact CD1-CB 4.41Å; L60-L70 HydrophobicContact CD1-CD1 4.45Å; L60-K92 HydrophobicContact CB-CB 4.5Å; L60-K92 HydrophobicContact CB-CD 3.89Å; L60-K92 HydrophobicContact CB-CG 4.05Å; L60-K92 HydrophobicContact CD2-CB 4.28Å; L60-K92 HydrophobicContact CD2-CD 4.29Å; L60-Q95 HydrophobicContact CD2-CB 4.18Å; L60-L96 HydrophobicContact CD1-CD1 4.2Å; L60-L96 HydrophobicContact CD1-CD2 4.02Å; L60-L96 HydrophobicContact CD1-CG 4.29Å; L60-L96 HydrophobicContact CD2-CD2 4.23Å; L60-L96 HydrophobicContact CD2-CG 4.09Å
61	L	98.6	Very high	96.2	Very high	106 Å²	106	52.1 Å²	52.1	56%	0.555	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.9	173	179.2	64.7	0	0	0	109.5	A68 V69	L61-A68 CarbonylContact O-C 3.46Å; L61-A68 WeakPolarHBondContact O-CA 3.34Å; L61-A68 WeakPolarHBondContact O-CB 3.21Å; L61-V69 PolarHBondContact N-O 3.2Å; L61-V69 PolarHBondContact O-N 3.17Å
62	K	98.4	Very high	96.5	Very high	82 Å²	82	46.3 Å²	46.3	36%	0.357	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.8	172.2	-66.2	175.1	178.1	-178.6	0	108.5	A68 Q95 W99	K62-A68 HydrophobicContact CG-CB 4.27Å; K62-Q95 PolarHBondContact NZ-O 2.95Å; K62-W99 HydrophobicContact CB-CH2 4.16Å; K62-W99 HydrophobicContact CB-CZ2 3.86Å; K62-W99 HydrophobicContact CD-CD2 3.85Å; K62-W99 HydrophobicContact CD-CE3 4.39Å; K62-W99 HydrophobicContact CD-CG 4.02Å; K62-W99 HydrophobicContact CD-CZ2 4.35Å; K62-W99 HydrophobicContact CG-CD2 4.2Å; K62-W99 HydrophobicContact CG-CE3 4.33Å; K62-W99 HydrophobicContact CG-CH2 4.21Å; K62-W99 HydrophobicContact CG-CZ2 4.1Å; K62-W99 HydrophobicContact CG-CZ3 4.35Å
63	Q	96.4	Very high	96.9	Very high	53 Å²	53	45.5 Å²	45.5	25%	0.248	27%	0.268	C	S	.	.			trans	-102	157.4	179.9	-57.7	170.5	-27.1	0	0	111.3	S65 G66 V67 E253	Q63-S65 WeakPolarHBondContact CB-OG 3.27Å; Q63-S65 PolarHBondContact O-N 3.03Å; Q63-S65 PolarHBondContact OE1-OG 2.98Å; Q63-G66 PolarHBondContact O-N 2.88Å; Q63-V67 VanDerWaalsContact CB-O 3.26Å; Q63-V67 WeakPolarHBondContact CB-O 3.21Å; Q63-V67 PolarHBondContact N-O 2.87Å; Q63-E253 PolarHBondContact NE2-OE1 3.29Å; Q63-E253 PolarHBondContact OE1-OE1 2.99Å
64	D	94.8	Very high	97.2	Very high	179 Å²	179	43.4 Å²	43.4	96%	0.957	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-20	177	-63.2	-24.4	0	0	0	113.2	G66	D64-G66 PolarHBondContact O-N 3.48Å
65	S	94.3	Very high	97.4	Very high	62 Å²	62	41.7 Å²	41.7	43%	0.434	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.6	172.5	63.5	0	0	0	0	113.2	Q63 V67	Q63-S65 WeakPolarHBondContact CB-OG 3.27Å; Q63-S65 PolarHBondContact O-N 3.03Å; Q63-S65 PolarHBondContact OE1-OG 2.98Å; S65-V67 VanDerWaalsContact C-N 3.35Å; S65-V67 PolarHBondContact OG-N 2.87Å; S65-V67 VanDerWaalsContact OG-N 3.16Å
66	G	97.4	Very high	97.6	Very high	5 Å²	5	44.6 Å²	44.6	5%	0.052	27%	0.269	C	S	.	.	S	Bend	trans	84.3	9.8	-168.5	0	0	0	0	0	112.9	Q63 D64 W99 K103 G104	Q63-G66 PolarHBondContact O-N 2.88Å; D64-G66 PolarHBondContact O-N 3.48Å; G66-W99 VanDerWaalsContact C-CH2 3.48Å; G66-W99 WeakPolarHBondContact O-CH2 3.29Å; G66-K103 PolarHBondContact O-N 3.34Å; G66-G104 PolarHBondContact O-N 2.93Å; G66-G104 VanDerWaalsContact O-N 3.15Å
67	V	98.4	Very high	97.5	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.3	172.1	-179.7	0	0	0	0	109.4	Q63 S65 G104 V106 L256	Q63-V67 VanDerWaalsContact CB-O 3.26Å; Q63-V67 WeakPolarHBondContact CB-O 3.21Å; Q63-V67 PolarHBondContact N-O 2.87Å; S65-V67 VanDerWaalsContact C-N 3.35Å; S65-V67 PolarHBondContact OG-N 2.87Å; S65-V67 VanDerWaalsContact OG-N 3.16Å; V67-G104 WeakPolarHBondContact CA-O 3.46Å; V67-V106 HydrophobicContact CG1-CG2 4.21Å; V67-L256 HydrophobicContact CG1-CD2 4.09Å
68	A	98.7	Very high	97.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	152.6	170.2	0	0	0	0	0	111.2	L60 L61 K62 L96 W99 G104 L105 V106	L60-A68 HydrophobicContact CD1-CB 4Å; L61-A68 CarbonylContact O-C 3.46Å; L61-A68 WeakPolarHBondContact O-CA 3.34Å; L61-A68 WeakPolarHBondContact O-CB 3.21Å; K62-A68 HydrophobicContact CG-CB 4.27Å; A68-L96 HydrophobicContact CB-CD2 3.95Å; A68-W99 HydrophobicContact CB-CE3 4.29Å; A68-W99 HydrophobicContact CB-CH2 3.9Å; A68-W99 HydrophobicContact CB-CZ3 3.44Å; A68-W99 VanDerWaalsContact CB-CZ3 3.44Å; A68-G104 PolarHBondContact N-O 2.93Å; A68-L105 HydrophobicContact CB-CD1 4.02Å; A68-L105 CarbonylContact O-C 3.44Å; A68-L105 WeakPolarHBondContact O-CA 3.5Å; A68-V106 PolarHBondContact O-N 3.2Å
69	V	98.8	Very high	97.4	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.036	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.5	171.8	-174.1	0	0	0	0	108.3	L61 V106 R108 L249	L61-V69 PolarHBondContact N-O 3.2Å; L61-V69 PolarHBondContact O-N 3.17Å; V69-V106 CarbonylContact C-O 3.57Å; V69-V106 WeakPolarHBondContact CA-O 3.11Å; V69-R108 HydrophobicContact CG1-CG 4.34Å; V69-L249 HydrophobicContact CG1-CD1 4.14Å; V69-L249 HydrophobicContact CG1-CD2 4.49Å; V69-L249 HydrophobicContact CG2-CD1 3.98Å; V69-L249 HydrophobicContact CG2-CD2 4.38Å
70	L	98.9	Very high	97.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.3	174.4	-175.6	131.4	0	0	0	109	V58 D59 L60 I72 L89 K92 L96 L105 V106 V107 R108	V58-L70 HydrophobicContact CG1-CD1 3.98Å; V58-L70 HydrophobicContact CG1-CD2 3.9Å; V58-L70 HydrophobicContact CG1-CG 3.82Å; D59-L70 CarbonylContact O-C 3.55Å; D59-L70 WeakPolarHBondContact O-CA 3.3Å; L60-L70 HydrophobicContact CD1-CB 4.41Å; L60-L70 HydrophobicContact CD1-CD1 4.45Å; L70-I72 HydrophobicContact CD2-CD1 3.76Å; L70-L89 HydrophobicContact CD1-CD1 4.34Å; L70-L89 HydrophobicContact CD2-CD1 3.93Å; L70-K92 HydrophobicContact CD1-CB 3.65Å; L70-K92 HydrophobicContact CD1-CG 4.24Å; L70-L96 HydrophobicContact CD1-CD1 4.41Å; L70-L105 HydrophobicContact CB-CD1 3.88Å; L70-V106 PolarHBondContact N-O 2.92Å; L70-V107 HydrophobicContact CD2-CG1 3.99Å; L70-V107 HydrophobicContact CD2-CG2 4.37Å; L70-V107 WeakPolarHBondContact O-CA 3.2Å; L70-R108 PolarHBondContact O-N 2.81Å
71	T	98.8	Very high	97.3	Very high	30 Å²	30	47.8 Å²	47.8	18%	0.184	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.1	-173.7	-55.6	0	0	0	0	110.5	D59 R108 A110	D59-T71 PolarHBondContact N-O 2.97Å; D59-T71 PolarHBondContact O-N 3.21Å; T71-R108 CarbonylContact C-O 3.6Å; T71-R108 WeakPolarHBondContact CA-O 3.32Å; T71-R108 HydrophobicContact CG2-CG 4.32Å; T71-A110 HydrophobicContact CG2-CB 4.16Å
72	I	98.7	Very high	97.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	113.1	170.6	-48.8	-48.5	0	0	0	107.8	V58 L70 N79 F81 M85 R108 G109 A110 L168	V58-I72 HydrophobicContact CG1-CD1 4.02Å; V58-I72 HydrophobicContact CG2-CD1 4.13Å; L70-I72 HydrophobicContact CD2-CD1 3.76Å; I72-N79 HydrophobicContact CB-CB 4.44Å; I72-N79 HydrophobicContact CG2-CB 3.96Å; I72-N79 VanDerWaalsContact O-CG 3.25Å; I72-N79 PolarHBondContact O-OD1 3.24Å; I72-F81 HydrophobicContact CD1-CE2 4.15Å; I72-F81 HydrophobicContact CD1-CZ 3.61Å; I72-F81 HydrophobicContact CG1-CE2 4.23Å; I72-F81 HydrophobicContact CG1-CZ 4.21Å; I72-F81 HydrophobicContact CG2-CD2 4.34Å; I72-F81 HydrophobicContact CG2-CE2 3.77Å; I72-F81 HydrophobicContact CG2-CZ 4.1Å; I72-M85 HydrophobicContact CG2-CE 3.44Å; I72-M85 VanDerWaalsContact CG2-CE 3.44Å; I72-R108 PolarHBondContact N-O 2.97Å; I72-G109 WeakPolarHBondContact O-CA 3.4Å; I72-A110 PolarHBondContact O-N 3.21Å; I72-L168 HydrophobicContact CD1-CD2 4.28Å; I72-L168 HydrophobicContact CG1-CD2 4.02Å
73	N	98.2	Very high	96.9	Very high	53 Å²	53	38.9 Å²	38.9	28%	0.283	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	88.8	-167.5	-169.9	-0.8	0	0	0	111.6	G56 S57 D59 P75 A110	G56-N73 CarbonylContact C-O 3.49Å; G56-N73 WeakPolarHBondContact CA-O 3.46Å; S57-N73 PolarHBondContact N-O 3.36Å; S57-N73 PolarHBondContact O-N 2.78Å; D59-N73 WeakPolarHBondContact OD2-CB 3.49Å; D59-N73 PolarHBondContact OD2-ND2 3.24Å; N73-P75 VanDerWaalsContact OD1-CD 3.27Å; N73-P75 WeakPolarHBondContact OD1-CD 3.5Å; N73-A110 HydrophobicContact CB-CB 4.31Å
74	N	97.3	Very high	96.8	Very high	15 Å²	15	37.3 Å²	37.3	8%	0.08	21%	0.214	C	C	.	.			trans	-149.7	59.9	169.6	-170.5	5.5	0	0	0	110.2	A76 R77 M78 N79 A80 M85	N74-A76 VanDerWaalsContact C-N 3.25Å; N74-A76 PolarHBondContact O-N 3.12Å; N74-R77 CarbonylContact O-C 3.05Å; N74-R77 PolarHBondContact O-N 3.16Å; N74-M78 PolarHBondContact O-N 3.16Å; N74-N79 WeakPolarHBondContact CA-OD1 3.26Å; N74-N79 PolarHBondContact N-OD1 3.36Å; N74-N79 WeakPolarHBondContact O-CA 3.32Å; N74-N79 PolarHBondContact O-N 3.04Å; N74-N79 PolarHBondContact O-OD1 3.29Å; N74-A80 PolarHBondContact ND2-O 3.34Å; N74-M85 HydrophobicContact CB-CE 3.95Å; N74-M85 HydrophobicContact CB-SD 3.78Å
75	P	96.3	Very high	97	Very high	68 Å²	68	28.8 Å²	28.8	44%	0.442	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-61.3	-33.7	-168.4	23.4	-35	0	0	0	112.8	N73 R77 M78 N79 A111	N73-P75 VanDerWaalsContact OD1-CD 3.27Å; N73-P75 WeakPolarHBondContact OD1-CD 3.5Å; P75-R77 PolarHBondContact O-N 3Å; P75-M78 PolarHBondContact O-N 3.26Å; P75-N79 VanDerWaalsContact N-OD1 3.15Å; P75-A111 HydrophobicContact CB-CB 3.83Å
76	A	95.2	Very high	97.1	Very high	92 Å²	92	26 Å²	26	76%	0.76	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-60	-18.8	175.9	0	0	0	0	0	113.7	N74	N74-A76 VanDerWaalsContact C-N 3.25Å; N74-A76 PolarHBondContact O-N 3.12Å
77	R	95.6	Very high	97.1	Very high	137 Å²	137	25.8 Å²	25.8	52%	0.517	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-122.6	29.4	176.4	-59.1	-63.4	-170.8	-175.2	-0.2	111.9	N74 P75 N79 A80 S116	N74-R77 CarbonylContact O-C 3.05Å; N74-R77 PolarHBondContact O-N 3.16Å; P75-R77 PolarHBondContact O-N 3Å; R77-N79 PolarHBondContact O-N 3.18Å; R77-A80 HydrophobicContact CB-CB 4.13Å; R77-A80 VanDerWaalsContact O-CB 3.22Å; R77-A80 WeakPolarHBondContact O-CB 3.21Å; R77-A80 PolarHBondContact O-N 3.12Å; R77-S116 PolarHBondContact O-OG 3.4Å
78	M	96.2	Very high	97.1	Very high	101 Å²	101	27.3 Å²	27.3	50%	0.498	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	40.7	-179.7	-64	-176.9	-65.7	0	0	112	N74 P75 A80 T113 S116	N74-M78 PolarHBondContact O-N 3.16Å; P75-M78 PolarHBondContact O-N 3.26Å; M78-A80 PolarHBondContact O-N 3.44Å; M78-A80 VanDerWaalsContact O-N 3.15Å; M78-T113 HydrophobicContact CB-CG2 4Å; M78-T113 WeakPolarHBondContact O-CG2 3.38Å; M78-S116 WeakPolarHBondContact O-CB 3.47Å; M78-S116 PolarHBondContact O-N 3.12Å; M78-S116 PolarHBondContact O-OG 3.18Å
79	N	97.9	Very high	97.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	32.5	-176.7	-60.7	-30.9	0	0	0	114.1	I72 N74 P75 R77 A110 T113 F114 C115	I72-N79 HydrophobicContact CB-CB 4.44Å; I72-N79 HydrophobicContact CG2-CB 3.96Å; I72-N79 VanDerWaalsContact O-CG 3.25Å; I72-N79 PolarHBondContact O-OD1 3.24Å; N74-N79 WeakPolarHBondContact CA-OD1 3.26Å; N74-N79 PolarHBondContact N-OD1 3.36Å; N74-N79 WeakPolarHBondContact O-CA 3.32Å; N74-N79 PolarHBondContact O-N 3.04Å; N74-N79 PolarHBondContact O-OD1 3.29Å; P75-N79 VanDerWaalsContact N-OD1 3.15Å; R77-N79 PolarHBondContact O-N 3.18Å; N79-A110 PolarHBondContact ND2-N 2.99Å; N79-A110 VanDerWaalsContact ND2-N 3.12Å; N79-A110 PolarHBondContact ND2-O 2.81Å; N79-T113 PolarHBondContact ND2-O 2.73Å; N79-F114 WeakPolarHBondContact CB-O 3.36Å; N79-C115 PolarHBondContact O-SG 3.34Å
80	A	96.9	Very high	97	Very high	5 Å²	5	27.3 Å²	27.3	4%	0.041	15%	0.154	C	C	.	.			trans	-65.1	136.6	171.7	0	0	0	0	0	110.7	N74 R77 M78 S82 S116 G117 D119	N74-A80 PolarHBondContact ND2-O 3.34Å; R77-A80 HydrophobicContact CB-CB 4.13Å; R77-A80 VanDerWaalsContact O-CB 3.22Å; R77-A80 WeakPolarHBondContact O-CB 3.21Å; R77-A80 PolarHBondContact O-N 3.12Å; M78-A80 PolarHBondContact O-N 3.44Å; M78-A80 VanDerWaalsContact O-N 3.15Å; A80-S82 PolarHBondContact O-N 3.38Å; A80-S116 WeakPolarHBondContact CB-OG 3.32Å; A80-G117 CarbonylContact C-O 3.56Å; A80-G117 VanDerWaalsContact CA-O 3.26Å; A80-G117 WeakPolarHBondContact CA-O 3.49Å; A80-D119 HydrophobicContact CB-CB 4.13Å
81	F	96.9	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-72	113.7	175.6	-87.4	-97.6	0	0	0	110.7	V58 I72 M85 M86 L89 C115 G117 D119 L168 W196	V58-F81 HydrophobicContact CG2-CE1 4.06Å; V58-F81 HydrophobicContact CG2-CZ 4.47Å; I72-F81 HydrophobicContact CD1-CE2 4.15Å; I72-F81 HydrophobicContact CD1-CZ 3.61Å; I72-F81 HydrophobicContact CG1-CE2 4.23Å; I72-F81 HydrophobicContact CG1-CZ 4.21Å; I72-F81 HydrophobicContact CG2-CD2 4.34Å; I72-F81 HydrophobicContact CG2-CE2 3.77Å; I72-F81 HydrophobicContact CG2-CZ 4.1Å; F81-M85 HydrophobicContact CD1-CB 3.64Å; F81-M85 HydrophobicContact CE1-CB 4.14Å; F81-M85 HydrophobicContact CG-CB 4.37Å; F81-M86 HydrophobicContact CB-CE 4.09Å; F81-M86 HydrophobicContact CB-CG 4.2Å; F81-M86 HydrophobicContact CD1-CG 3.97Å; F81-M86 HydrophobicContact CG-CG 4.49Å; F81-L89 HydrophobicContact CE1-CB 3.99Å; F81-L89 HydrophobicContact CE1-CD2 3.91Å; F81-L89 HydrophobicContact CZ-CD2 3.97Å; F81-C115 VanDerWaalsContact CD2-SG 3.6Å; F81-G117 PolarHBondContact N-O 2.84Å; F81-D119 PolarHBondContact O-N 2.94Å; F81-L168 HydrophobicContact CE2-CD2 4.11Å; F81-L168 HydrophobicContact CZ-CD2 4.37Å; F81-W196 HydrophobicContact CB-CH2 3.99Å; F81-W196 AromaticContact CD2-CH2 3.87Å; F81-W196 HydrophobicContact CD2-CH2 3.87Å; F81-W196 HydrophobicContact CD2-CZ3 4.18Å; F81-W196 AromaticContact CG-CH2 3.98Å; F81-W196 HydrophobicContact CG-CH2 3.98Å
82	S	95.4	Very high	97	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.014	17%	0.167	C	C	.	.			trans	-69.2	170.7	156.9	71.1	0	0	0	0	110.2	F53 G55 A80 S84 M85 M86	F53-S82 WeakPolarHBondContact O-CB 3.5Å; G55-S82 VanDerWaalsContact O-CB 3.3Å; G55-S82 WeakPolarHBondContact O-CB 3.49Å; G55-S82 PolarHBondContact O-OG 2.98Å; A80-S82 PolarHBondContact O-N 3.38Å; S82-S84 VanDerWaalsContact C-N 3.34Å; S82-S84 PolarHBondContact OG-OG 2.92Å; S82-S84 VanDerWaalsContact OG-OG 3.07Å; S82-M85 PolarHBondContact O-N 3.42Å; S82-M85 VanDerWaalsContact OG-CG 3.31Å; S82-M85 WeakPolarHBondContact OG-CG 3.36Å; S82-M85 PolarHBondContact OG-N 3.05Å; S82-M85 VanDerWaalsContact OG-N 3.11Å; S82-M86 WeakPolarHBondContact O-CG 3.18Å; S82-M86 PolarHBondContact O-N 2.97Å
83	G	93.7	Very high	97	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-38.4	174.3	0	0	0	0	0	112	L50 F53 M85 M86 V87	L50-G83 CarbonylContact O-C 3.04Å; L50-G83 WeakPolarHBondContact O-CA 3.41Å; F53-G83 PolarHBondContact O-N 3.21Å; F53-G83 VanDerWaalsContact O-N 3.09Å; G83-M85 VanDerWaalsContact C-N 3.35Å; G83-M85 PolarHBondContact O-N 2.86Å; G83-M86 WeakPolarHBondContact O-CB 3.38Å; G83-M86 PolarHBondContact O-N 3.15Å; G83-V87 PolarHBondContact O-N 2.63Å
84	S	95	Very high	97	Very high	20 Å²	20	30.3 Å²	30.3	14%	0.14	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-40.7	175.7	66.4	0	0	0	0	111.9	L50 F53 P54 G55 S82 M86 V87 D88	L50-S84 PolarHBondContact O-N 3.06Å; F53-S84 PolarHBondContact O-N 3.31Å; P54-S84 WeakPolarHBondContact CA-OG 3.46Å; G55-S84 PolarHBondContact N-OG 3.46Å; S82-S84 VanDerWaalsContact C-N 3.34Å; S82-S84 PolarHBondContact OG-OG 2.92Å; S82-S84 VanDerWaalsContact OG-OG 3.07Å; S84-M86 VanDerWaalsContact C-N 3.29Å; S84-M86 PolarHBondContact O-N 3.28Å; S84-V87 WeakPolarHBondContact O-CB 3.47Å; S84-V87 PolarHBondContact O-N 2.9Å; S84-V87 VanDerWaalsContact O-N 3.1Å; S84-D88 PolarHBondContact O-N 2.91Å
85	M	97.8	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-32.7	176.4	-72.5	171.2	74.2	0	0	113	G55 V58 I72 N74 F81 S82 G83 V87 D88 L89	G55-M85 VanDerWaalsContact O-CG 3.23Å; G55-M85 WeakPolarHBondContact O-CG 3.46Å; V58-M85 HydrophobicContact CG2-CB 4.12Å; V58-M85 HydrophobicContact CG2-CE 4.44Å; V58-M85 HydrophobicContact CG2-CG 4.48Å; V58-M85 WeakPolarHBondContact CG2-O 3.28Å; I72-M85 HydrophobicContact CG2-CE 3.44Å; I72-M85 VanDerWaalsContact CG2-CE 3.44Å; N74-M85 HydrophobicContact CB-CE 3.95Å; N74-M85 HydrophobicContact CB-SD 3.78Å; F81-M85 HydrophobicContact CD1-CB 3.64Å; F81-M85 HydrophobicContact CE1-CB 4.14Å; F81-M85 HydrophobicContact CG-CB 4.37Å; S82-M85 PolarHBondContact O-N 3.42Å; S82-M85 VanDerWaalsContact OG-CG 3.31Å; S82-M85 WeakPolarHBondContact OG-CG 3.36Å; S82-M85 PolarHBondContact OG-N 3.05Å; S82-M85 VanDerWaalsContact OG-N 3.11Å; G83-M85 VanDerWaalsContact C-N 3.35Å; G83-M85 PolarHBondContact O-N 2.86Å; M85-V87 VanDerWaalsContact C-N 3.29Å; M85-V87 PolarHBondContact O-N 2.82Å; M85-D88 PolarHBondContact O-N 2.8Å; M85-L89 WeakPolarHBondContact O-CB 3.45Å; M85-L89 PolarHBondContact O-N 3.03Å
86	M	97.1	Very high	97.1	Very high	3 Å²	3	30 Å²	30	2%	0.015	16%	0.16	C	C	.	.	H	α-helix	trans	-62.4	-42.3	174.3	-65.8	-177.7	-171.9	0	0	110.4	L50 F81 S82 G83 S84 L89 E90 M135 F138 M139 W196	L50-M86 HydrophobicContact CD1-CB 4.32Å; L50-M86 HydrophobicContact CD1-SD 4.5Å; L50-M86 HydrophobicContact CD2-SD 3.97Å; F81-M86 HydrophobicContact CB-CE 4.09Å; F81-M86 HydrophobicContact CB-CG 4.2Å; F81-M86 HydrophobicContact CD1-CG 3.97Å; F81-M86 HydrophobicContact CG-CG 4.49Å; S82-M86 WeakPolarHBondContact O-CG 3.18Å; S82-M86 PolarHBondContact O-N 2.97Å; G83-M86 WeakPolarHBondContact O-CB 3.38Å; G83-M86 PolarHBondContact O-N 3.15Å; S84-M86 VanDerWaalsContact C-N 3.29Å; S84-M86 PolarHBondContact O-N 3.28Å; M86-L89 PolarHBondContact O-N 2.73Å; M86-E90 PolarHBondContact O-N 2.76Å; M86-M135 HydrophobicContact CE-CG 4.28Å; M86-M135 HydrophobicContact CE-SD 4.36Å; M86-M135 HydrophobicContact SD-CG 3.87Å; M86-M135 HydrophobicContact SD-SD 4.4Å; M86-F138 HydrophobicContact CB-CD1 4.44Å; M86-F138 HydrophobicContact CB-CE1 4.21Å; M86-F138 WeakPolarHBondContact O-CE1 3.44Å; M86-M139 HydrophobicContact CB-SD 3.63Å; M86-M139 HydrophobicContact CG-CE 4.31Å; M86-M139 HydrophobicContact CG-CG 4.34Å; M86-M139 HydrophobicContact CG-SD 3.5Å; M86-M139 VanDerWaalsContact CG-SD 3.5Å; M86-M139 HydrophobicContact SD-CG 3.88Å; M86-M139 HydrophobicContact SD-SD 3.85Å; M86-W196 HydrophobicContact CE-CZ2 3.76Å
87	V	97	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67.2	-44.2	175.8	177.4	0	0	0	0	111.1	R47 L50 R51 G83 S84 M85 L89 E90 E91 F138	R47-V87 HydrophobicContact CB-CG2 4.48Å; R47-V87 HydrophobicContact CG-CB 4.37Å; R47-V87 HydrophobicContact CG-CG1 3.59Å; R47-V87 HydrophobicContact CG-CG2 3.81Å; L50-V87 HydrophobicContact CB-CG2 3.78Å; L50-V87 HydrophobicContact CD1-CG2 4.31Å; R51-V87 HydrophobicContact CG-CB 4.33Å; R51-V87 HydrophobicContact CG-CG1 4.25Å; R51-V87 HydrophobicContact CG-CG2 4.13Å; G83-V87 PolarHBondContact O-N 2.63Å; S84-V87 WeakPolarHBondContact O-CB 3.47Å; S84-V87 PolarHBondContact O-N 2.9Å; S84-V87 VanDerWaalsContact O-N 3.1Å; M85-V87 VanDerWaalsContact C-N 3.29Å; M85-V87 PolarHBondContact O-N 2.82Å; V87-L89 VanDerWaalsContact C-N 3.29Å; V87-L89 PolarHBondContact O-N 3.31Å; V87-E90 WeakPolarHBondContact O-CB 3.25Å; V87-E90 PolarHBondContact O-N 2.82Å; V87-E90 VanDerWaalsContact O-N 3.12Å; V87-E91 HydrophobicContact CG1-CG 4.41Å; V87-E91 WeakPolarHBondContact O-CG 3.21Å; V87-E91 PolarHBondContact O-N 2.84Å; V87-F138 HydrophobicContact CG2-CE1 4.48Å; V87-F138 HydrophobicContact CG2-CZ 4.06Å
88	D	98.2	Very high	97.3	Very high	42 Å²	42	24.9 Å²	24.9	23%	0.225	13%	0.134	C	C	.	.	H	α-helix	trans	-57.6	-43.4	176.6	-66.3	-10.1	0	0	0	111.3	V58 S84 M85 E90 E91 K92	V58-D88 HydrophobicContact CB-CB 3.82Å; V58-D88 HydrophobicContact CG2-CB 4.03Å; S84-D88 PolarHBondContact O-N 2.91Å; M85-D88 PolarHBondContact O-N 2.8Å; D88-E90 PolarHBondContact O-N 2.93Å; D88-E91 PolarHBondContact O-N 3.06Å; D88-K92 VanDerWaalsContact O-CG 3.27Å; D88-K92 WeakPolarHBondContact O-CG 3.15Å; D88-K92 PolarHBondContact O-N 2.64Å
89	L	98.7	Very high	97.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.5	-47	175.7	176.8	66.2	0	0	0	111.6	V58 L70 F81 M85 M86 V87 E91 K92 V93 M139 L143 L146	V58-L89 HydrophobicContact CG1-CD1 4.41Å; V58-L89 HydrophobicContact CG2-CB 4.28Å; L70-L89 HydrophobicContact CD1-CD1 4.34Å; L70-L89 HydrophobicContact CD2-CD1 3.93Å; F81-L89 HydrophobicContact CE1-CB 3.99Å; F81-L89 HydrophobicContact CE1-CD2 3.91Å; F81-L89 HydrophobicContact CZ-CD2 3.97Å; M85-L89 WeakPolarHBondContact O-CB 3.45Å; M85-L89 PolarHBondContact O-N 3.03Å; M86-L89 PolarHBondContact O-N 2.73Å; V87-L89 VanDerWaalsContact C-N 3.29Å; V87-L89 PolarHBondContact O-N 3.31Å; L89-E91 VanDerWaalsContact C-N 3.31Å; L89-E91 PolarHBondContact O-N 3.41Å; L89-K92 PolarHBondContact O-N 3.48Å; L89-V93 HydrophobicContact CD1-CG2 4.38Å; L89-V93 WeakPolarHBondContact O-CB 3.37Å; L89-V93 VanDerWaalsContact O-CG2 3.28Å; L89-V93 WeakPolarHBondContact O-CG2 3.44Å; L89-V93 PolarHBondContact O-N 2.91Å; L89-M139 HydrophobicContact CD2-CE 3.98Å; L89-L143 HydrophobicContact CD2-CD2 3.82Å; L89-L146 HydrophobicContact CD1-CD1 4.25Å
90	E	98	Very high	97.3	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.028	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-39.8	177.9	-173.6	-82.5	145.8	0	0	112	R47 M86 V87 D88 S94 F138 A142 R145	R47-E90 IonicContact CZ-OE2 3.61Å; R47-E90 IonicContact NE-OE2 2.91Å; R47-E90 IonicContact NH2-OE1 3.48Å; R47-E90 PolarHBondContact NH2-OE1 3.36Å; R47-E90 IonicContact NH2-OE2 3.95Å; R47-E90 PolarHBondContact NH2-OE2 3.22Å; M86-E90 PolarHBondContact O-N 2.76Å; V87-E90 WeakPolarHBondContact O-CB 3.25Å; V87-E90 PolarHBondContact O-N 2.82Å; V87-E90 VanDerWaalsContact O-N 3.12Å; D88-E90 PolarHBondContact O-N 2.93Å; E90-S94 PolarHBondContact O-N 3.09Å; E90-S94 PolarHBondContact O-OG 3.16Å; E90-S94 PolarHBondContact OE1-OG 3.16Å; E90-F138 HydrophobicContact CB-CE1 3.94Å; E90-F138 HydrophobicContact CB-CZ 3.75Å; E90-F138 HydrophobicContact CG-CE1 4.38Å; E90-F138 HydrophobicContact CG-CZ 3.9Å; E90-A142 HydrophobicContact CB-CB 4.17Å; E90-A142 HydrophobicContact CG-CB 4.4Å; E90-R145 IonicContact OE1-CZ 2.84Å; E90-R145 IonicContact OE1-NH1 3.19Å; E90-R145 PolarHBondContact OE1-NH1 3.29Å; E90-R145 IonicContact OE1-NH2 3.71Å
91	E	98.2	Very high	97.3	Very high	57 Å²	57	31.5 Å²	31.5	27%	0.266	17%	0.168	S	C	.	.	H	α-helix	trans	-66.9	-42.7	174.7	-70	177.9	-173.3	0	0	111.9	R51 V87 D88 L89 S94 Q95	R51-E91 IonicContact CZ-OE1 3.5Å; R51-E91 IonicContact NH2-OE1 3.74Å; R51-E91 PolarHBondContact NH2-OE1 3.04Å; V87-E91 HydrophobicContact CG1-CG 4.41Å; V87-E91 WeakPolarHBondContact O-CG 3.21Å; V87-E91 PolarHBondContact O-N 2.84Å; D88-E91 PolarHBondContact O-N 3.06Å; L89-E91 VanDerWaalsContact C-N 3.31Å; L89-E91 PolarHBondContact O-N 3.41Å; E91-S94 WeakPolarHBondContact O-CB 3.45Å; E91-S94 PolarHBondContact O-N 3.06Å; E91-Q95 WeakPolarHBondContact O-CG 3.28Å; E91-Q95 PolarHBondContact O-N 3.49Å
92	K	98.7	Very high	97.3	Very high	47 Å²	47	31.5 Å²	31.5	20%	0.204	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-38.9	176.8	-64.7	-31.9	179.5	-172.9	0	111.8	V58 L60 L70 D88 L89 S94 Q95 L96	V58-K92 HydrophobicContact CG1-CG 4.06Å; V58-K92 WeakPolarHBondContact O-CE 3.4Å; L60-K92 HydrophobicContact CB-CB 4.5Å; L60-K92 HydrophobicContact CB-CD 3.89Å; L60-K92 HydrophobicContact CB-CG 4.05Å; L60-K92 HydrophobicContact CD2-CB 4.28Å; L60-K92 HydrophobicContact CD2-CD 4.29Å; L70-K92 HydrophobicContact CD1-CB 3.65Å; L70-K92 HydrophobicContact CD1-CG 4.24Å; D88-K92 VanDerWaalsContact O-CG 3.27Å; D88-K92 WeakPolarHBondContact O-CG 3.15Å; D88-K92 PolarHBondContact O-N 2.64Å; L89-K92 PolarHBondContact O-N 3.48Å; K92-S94 VanDerWaalsContact C-N 3.31Å; K92-S94 PolarHBondContact O-N 2.98Å; K92-Q95 WeakPolarHBondContact O-CB 3.49Å; K92-Q95 PolarHBondContact O-N 3.29Å; K92-L96 WeakPolarHBondContact O-CG 3.37Å; K92-L96 PolarHBondContact O-N 3.36Å
93	V	98.6	Very high	97.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.8	-44.5	171.9	170.5	0	0	0	0	110.2	L89 Q95 L96 E97 R145 L146 L149	L89-V93 HydrophobicContact CD1-CG2 4.38Å; L89-V93 WeakPolarHBondContact O-CB 3.37Å; L89-V93 VanDerWaalsContact O-CG2 3.28Å; L89-V93 WeakPolarHBondContact O-CG2 3.44Å; L89-V93 PolarHBondContact O-N 2.91Å; V93-Q95 VanDerWaalsContact C-N 3.29Å; V93-Q95 PolarHBondContact O-N 2.8Å; V93-L96 PolarHBondContact O-N 2.74Å; V93-E97 HydrophobicContact CG1-CG 4.46Å; V93-E97 WeakPolarHBondContact O-CG 3.16Å; V93-E97 PolarHBondContact O-N 2.94Å; V93-R145 HydrophobicContact CG1-CB 3.61Å; V93-L146 HydrophobicContact CG2-CB 3.93Å; V93-L146 HydrophobicContact CG2-CD1 4.22Å; V93-L146 HydrophobicContact CG2-CG 4.35Å; V93-L149 HydrophobicContact CG1-CD2 4.42Å
94	S	97.9	Very high	97.7	Very high	41 Å²	41	33.5 Å²	33.5	29%	0.287	18%	0.176	S	C	.	.	H	α-helix	trans	-59.6	-37.3	174.8	-55	0	0	0	0	113.1	E90 E91 K92 L96 S98 R145	E90-S94 PolarHBondContact O-N 3.09Å; E90-S94 PolarHBondContact O-OG 3.16Å; E90-S94 PolarHBondContact OE1-OG 3.16Å; E91-S94 WeakPolarHBondContact O-CB 3.45Å; E91-S94 PolarHBondContact O-N 3.06Å; K92-S94 VanDerWaalsContact C-N 3.31Å; K92-S94 PolarHBondContact O-N 2.98Å; S94-L96 VanDerWaalsContact C-N 3.33Å; S94-S98 PolarHBondContact O-OG 3.07Å; S94-R145 PolarHBondContact OG-NH2 3.03Å
95	Q	98.3	Very high	97.9	Very high	78 Å²	78	32.6 Å²	32.6	36%	0.364	17%	0.17	S	C	.	.	H	α-helix	trans	-70.8	-26.1	175.2	-68.6	179.2	36.2	0	0	113.6	L60 K62 E91 K92 V93 S98	L60-Q95 HydrophobicContact CD2-CB 4.18Å; K62-Q95 PolarHBondContact NZ-O 2.95Å; E91-Q95 WeakPolarHBondContact O-CG 3.28Å; E91-Q95 PolarHBondContact O-N 3.49Å; K92-Q95 WeakPolarHBondContact O-CB 3.49Å; K92-Q95 PolarHBondContact O-N 3.29Å; V93-Q95 VanDerWaalsContact C-N 3.29Å; V93-Q95 PolarHBondContact O-N 2.8Å; Q95-S98 PolarHBondContact O-OG 3.15Å
96	L	98.6	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-83.3	-34.1	176.1	-71.6	169.3	0	0	0	111.7	L60 A68 L70 K92 V93 S94 S98 W99 L105 L149 L151	L60-L96 HydrophobicContact CD1-CD1 4.2Å; L60-L96 HydrophobicContact CD1-CD2 4.02Å; L60-L96 HydrophobicContact CD1-CG 4.29Å; L60-L96 HydrophobicContact CD2-CD2 4.23Å; L60-L96 HydrophobicContact CD2-CG 4.09Å; A68-L96 HydrophobicContact CB-CD2 3.95Å; L70-L96 HydrophobicContact CD1-CD1 4.41Å; K92-L96 WeakPolarHBondContact O-CG 3.37Å; K92-L96 PolarHBondContact O-N 3.36Å; V93-L96 PolarHBondContact O-N 2.74Å; S94-L96 VanDerWaalsContact C-N 3.33Å; L96-S98 PolarHBondContact O-N 2.87Å; L96-W99 HydrophobicContact CD2-CE3 3.72Å; L96-W99 HydrophobicContact CD2-CZ3 4.23Å; L96-W99 WeakPolarHBondContact O-CB 3.33Å; L96-W99 PolarHBondContact O-N 3.01Å; L96-W99 VanDerWaalsContact O-N 3.07Å; L96-L105 HydrophobicContact CD1-CD1 3.94Å; L96-L105 HydrophobicContact CD1-CD2 4.03Å; L96-L149 HydrophobicContact CB-CD1 3.95Å; L96-L149 HydrophobicContact CB-CD2 3.7Å; L96-L149 HydrophobicContact CB-CG 4.5Å; L96-L149 HydrophobicContact CD1-CD1 3.92Å; L96-L151 HydrophobicContact CB-CD1 4.14Å; L96-L151 HydrophobicContact CD2-CD1 3.79Å; L96-L151 HydrophobicContact CG-CD1 4.38Å
97	E	97.6	Very high	98	Very high	50 Å²	50	32.4 Å²	32.4	23%	0.234	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-28.2	174	-74.5	173.3	159.4	0	0	112.9	V93 R145 L149	V93-E97 HydrophobicContact CG1-CG 4.46Å; V93-E97 WeakPolarHBondContact O-CG 3.16Å; V93-E97 PolarHBondContact O-N 2.94Å; E97-R145 IonicContact OE1-CZ 3.57Å; E97-R145 IonicContact OE1-NE 2.73Å; E97-R145 PolarHBondContact OE1-NE 3.43Å; E97-R145 IonicContact OE1-NH2 3.61Å; E97-R145 PolarHBondContact OE1-NH2 3.5Å; E97-R145 IonicContact OE2-CZ 3.97Å; E97-R145 IonicContact OE2-NE 3.06Å; E97-R145 IonicContact OE2-NH2 2.73Å; E97-R145 PolarHBondContact OE2-NH2 3.29Å; E97-L149 HydrophobicContact CB-CD2 4.34Å; E97-L149 HydrophobicContact CG-CD2 3.62Å
98	S	96.6	Very high	98.1	Very high	70 Å²	70	35 Å²	35	49%	0.49	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	0.3	177.7	61.1	0	0	0	0	114	S94 Q95 L96 T100	S94-S98 PolarHBondContact O-OG 3.07Å; Q95-S98 PolarHBondContact O-OG 3.15Å; L96-S98 PolarHBondContact O-N 2.87Å; S98-T100 PolarHBondContact O-N 3.32Å
99	W	97.9	Very high	98.1	Very high	33 Å²	33	33 Å²	33	13%	0.125	17%	0.168	C	C	.	.			trans	-86.9	93.6	-176.5	-172.6	31.1	0	0	0	111.8	K62 G66 A68 L96 E101 G102 L151	K62-W99 HydrophobicContact CB-CH2 4.16Å; K62-W99 HydrophobicContact CB-CZ2 3.86Å; K62-W99 HydrophobicContact CD-CD2 3.85Å; K62-W99 HydrophobicContact CD-CE3 4.39Å; K62-W99 HydrophobicContact CD-CG 4.02Å; K62-W99 HydrophobicContact CD-CZ2 4.35Å; K62-W99 HydrophobicContact CG-CD2 4.2Å; K62-W99 HydrophobicContact CG-CE3 4.33Å; K62-W99 HydrophobicContact CG-CH2 4.21Å; K62-W99 HydrophobicContact CG-CZ2 4.1Å; K62-W99 HydrophobicContact CG-CZ3 4.35Å; G66-W99 VanDerWaalsContact C-CH2 3.48Å; G66-W99 WeakPolarHBondContact O-CH2 3.29Å; A68-W99 HydrophobicContact CB-CE3 4.29Å; A68-W99 HydrophobicContact CB-CH2 3.9Å; A68-W99 HydrophobicContact CB-CZ3 3.44Å; A68-W99 VanDerWaalsContact CB-CZ3 3.44Å; L96-W99 HydrophobicContact CD2-CE3 3.72Å; L96-W99 HydrophobicContact CD2-CZ3 4.23Å; L96-W99 WeakPolarHBondContact O-CB 3.33Å; L96-W99 PolarHBondContact O-N 3.01Å; L96-W99 VanDerWaalsContact O-N 3.07Å; W99-E101 VanDerWaalsContact C-N 3.33Å; W99-E101 PolarHBondContact O-N 3.4Å; W99-G102 VanDerWaalsContact CE3-CA 3.48Å; W99-G102 PolarHBondContact O-N 2.82Å; W99-L151 HydrophobicContact CE3-CD1 4.18Å; W99-L151 HydrophobicContact CE3-CD2 4.25Å; W99-L151 HydrophobicContact CZ3-CD1 4.42Å; W99-L151 HydrophobicContact CZ3-CD2 4.45Å
100	T	96.4	Very high	98	Very high	94 Å²	94	33.9 Å²	33.9	58%	0.577	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-30.7	-174.3	55.5	0	0	0	0	114	S98 G102 V264 Q268	S98-T100 PolarHBondContact O-N 3.32Å; T100-G102 VanDerWaalsContact C-N 3.29Å; T100-G102 PolarHBondContact O-N 3.49Å; T100-V264 VanDerWaalsContact O-CG1 3.27Å; T100-V264 WeakPolarHBondContact O-CG1 3.45Å; T100-Q268 PolarHBondContact O-NE2 3.04Å
101	E	96.6	Very high	97.7	Very high	119 Å²	119	37.1 Å²	37.1	56%	0.556	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.5	-178.5	-52.9	-47.3	113	0	0	113.3	W99	W99-E101 VanDerWaalsContact C-N 3.33Å; W99-E101 PolarHBondContact O-N 3.4Å
102	G	97.9	Very high	97	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.			trans	-72.2	142.1	-175.8	0	0	0	0	0	113.3	W99 T100 L151 V264 Q268	W99-G102 VanDerWaalsContact CE3-CA 3.48Å; W99-G102 PolarHBondContact O-N 2.82Å; T100-G102 VanDerWaalsContact C-N 3.29Å; T100-G102 PolarHBondContact O-N 3.49Å; G102-L151 VanDerWaalsContact CA-CD2 3.5Å; G102-L151 WeakPolarHBondContact O-CD2 3.15Å; G102-V264 WeakPolarHBondContact O-CG1 3.3Å; G102-Q268 PolarHBondContact O-NE2 3.22Å
103	K	98.4	Very high	96.8	Very high	44 Å²	44	40.9 Å²	40.9	19%	0.191	22%	0.223	C	C	.	.			trans	-123.1	-39.7	178.1	-55.2	178.6	-173.2	176.3	0	112	G66 V152 T260 G262 V264 I267	G66-K103 PolarHBondContact O-N 3.34Å; K103-V152 PolarHBondContact O-N 2.86Å; K103-T260 HydrophobicContact CB-CG2 4.18Å; K103-T260 VanDerWaalsContact CD-O 3.3Å; K103-T260 WeakPolarHBondContact CD-O 3.16Å; K103-G262 PolarHBondContact NZ-O 3.38Å; K103-V264 HydrophobicContact CD-CG2 4.12Å; K103-V264 HydrophobicContact CG-CB 4.43Å; K103-V264 HydrophobicContact CG-CG1 4.46Å; K103-V264 HydrophobicContact CG-CG2 3.78Å; K103-I267 HydrophobicContact CB-CD1 4.22Å; K103-I267 HydrophobicContact CB-CG2 4.43Å; K103-I267 HydrophobicContact CD-CD1 3.8Å; K103-I267 HydrophobicContact CG-CD1 4.05Å
104	G	98.7	Very high	96.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160.3	-172.5	0	0	0	0	0	114	G66 V67 A68 V152	G66-G104 PolarHBondContact O-N 2.93Å; G66-G104 VanDerWaalsContact O-N 3.15Å; V67-G104 WeakPolarHBondContact CA-O 3.46Å; A68-G104 PolarHBondContact N-O 2.93Å; G104-V152 CarbonylContact C-O 3.5Å; G104-V152 WeakPolarHBondContact CA-O 3.42Å
105	L	98.9	Very high	96.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	123.6	175.3	176.3	65.7	0	0	0	110.1	A68 L70 L96 V107 L146 L149 L151 V152 S153 V154	A68-L105 HydrophobicContact CB-CD1 4.02Å; A68-L105 CarbonylContact O-C 3.44Å; A68-L105 WeakPolarHBondContact O-CA 3.5Å; L70-L105 HydrophobicContact CB-CD1 3.88Å; L96-L105 HydrophobicContact CD1-CD1 3.94Å; L96-L105 HydrophobicContact CD1-CD2 4.03Å; L105-V107 HydrophobicContact CD2-CG2 3.9Å; L105-V107 HydrophobicContact CG-CG2 3.96Å; L105-L146 HydrophobicContact CD2-CG 4.45Å; L105-L149 HydrophobicContact CD2-CD1 3.94Å; L105-L151 HydrophobicContact CB-CB 4.29Å; L105-L151 HydrophobicContact CB-CD1 4.21Å; L105-V152 PolarHBondContact N-O 3.22Å; L105-S153 CarbonylContact O-C 3.55Å; L105-S153 VanDerWaalsContact O-CA 3.25Å; L105-S153 WeakPolarHBondContact O-CA 3.45Å; L105-V154 PolarHBondContact O-N 2.81Å
106	V	98.9	Very high	96.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.2	164.8	-177.2	0	0	0	0	108.1	V67 A68 V69 L70 V154 L156 L249 A252 E253 L256	V67-V106 HydrophobicContact CG1-CG2 4.21Å; A68-V106 PolarHBondContact O-N 3.2Å; V69-V106 CarbonylContact C-O 3.57Å; V69-V106 WeakPolarHBondContact CA-O 3.11Å; L70-V106 PolarHBondContact N-O 2.92Å; V106-V154 WeakPolarHBondContact CA-O 3.27Å; V106-V154 HydrophobicContact CB-CG1 4.33Å; V106-V154 HydrophobicContact CG1-CG1 4.38Å; V106-V154 HydrophobicContact CG2-CG1 3.87Å; V106-L156 HydrophobicContact CG1-CB 3.88Å; V106-L156 HydrophobicContact CG1-CD2 4.25Å; V106-L249 HydrophobicContact CB-CD1 4.33Å; V106-L249 HydrophobicContact CG1-CD1 3.92Å; V106-A252 HydrophobicContact CG1-CB 4.37Å; V106-E253 HydrophobicContact CG2-CG 4.34Å; V106-L256 HydrophobicContact CG2-CD2 4.09Å
107	V	98.9	Very high	96.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.6	171.2	-178.7	0	0	0	0	107.9	L70 L105 F114 V154 L156 L168	L70-V107 HydrophobicContact CD2-CG1 3.99Å; L70-V107 HydrophobicContact CD2-CG2 4.37Å; L70-V107 WeakPolarHBondContact O-CA 3.2Å; L105-V107 HydrophobicContact CD2-CG2 3.9Å; L105-V107 HydrophobicContact CG-CG2 3.96Å; V107-F114 HydrophobicContact CG1-CE2 4.23Å; V107-F114 HydrophobicContact CG1-CZ 4.03Å; V107-V154 PolarHBondContact N-O 2.96Å; V107-L156 PolarHBondContact O-N 3.42Å; V107-L168 HydrophobicContact CG1-CD2 4.24Å; V107-L168 HydrophobicContact CG1-CG 4.43Å
108	R	98.5	Very high	96.2	Very high	53 Å²	53	35.7 Å²	35.7	20%	0.2	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	169.2	178.9	73.7	179.2	-63.3	-155.4	-2.1	112	V69 L70 T71 I72 L156 E158	V69-R108 HydrophobicContact CG1-CG 4.34Å; L70-R108 PolarHBondContact O-N 2.81Å; T71-R108 CarbonylContact C-O 3.6Å; T71-R108 WeakPolarHBondContact CA-O 3.32Å; T71-R108 HydrophobicContact CG2-CG 4.32Å; I72-R108 PolarHBondContact N-O 2.97Å; R108-L156 HydrophobicContact CB-CB 4.09Å; R108-L156 HydrophobicContact CB-CD2 4.25Å; R108-L156 HydrophobicContact CB-CG 4.36Å; R108-E158 IonicContact CZ-OE1 3.68Å; R108-E158 IonicContact CZ-OE2 3.57Å; R108-E158 IonicContact NE-OE2 3.74Å; R108-E158 PolarHBondContact NE-OE2 3.03Å; R108-E158 IonicContact NH2-OE1 2.84Å; R108-E158 PolarHBondContact NH2-OE1 3.34Å; R108-E158 IonicContact NH2-OE2 3.4Å; R108-E158 PolarHBondContact NH2-OE2 3.47Å
109	G	98.3	Very high	95.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	155.5	167.8	0	0	0	0	0	112.1	I72 T113 F114	I72-G109 WeakPolarHBondContact O-CA 3.4Å; G109-T113 CarbonylContact C-O 3.46Å; G109-T113 VanDerWaalsContact CA-O 3.28Å; G109-T113 WeakPolarHBondContact CA-O 3.49Å; G109-F114 WeakPolarHBondContact CA-O 3.31Å
110	A	96.4	Very high	94.5	Very high	18 Å²	18	37 Å²	37	15%	0.149	21%	0.205	C	C	.	.	S	Bend	trans	-74.3	151.7	173.2	0	0	0	0	0	111.9	T71 I72 N73 N79 E112	T71-A110 HydrophobicContact CG2-CB 4.16Å; I72-A110 PolarHBondContact O-N 3.21Å; N73-A110 HydrophobicContact CB-CB 4.31Å; N79-A110 PolarHBondContact ND2-N 2.99Å; N79-A110 VanDerWaalsContact ND2-N 3.12Å; N79-A110 PolarHBondContact ND2-O 2.81Å; A110-E112 PolarHBondContact O-N 2.86Å
111	A	90.6	Very high	93.3	Very high	74 Å²	74	36.9 Å²	36.9	61%	0.612	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	55.9	171.9	0	0	0	0	0	114.8	P75 T113	P75-A111 HydrophobicContact CB-CB 3.83Å; A111-T113 PolarHBondContact O-N 2.79Å
112	E	83.3	Confident	91.9	Very high	157 Å²	157	31.4 Å²	31.4	73%	0.734	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	9.7	166.9	-57.9	174	-170.2	0	0	116.4	A110 G159	A110-E112 PolarHBondContact O-N 2.86Å; E112-G159 VanDerWaalsContact O-CA 3.28Å; E112-G159 WeakPolarHBondContact O-CA 3.31Å
113	T	95.1	Very high	90.5	Very high	27 Å²	27	34.1 Å²	34.1	17%	0.166	19%	0.192	C	C	.	.			trans	-114.8	136.5	166.3	-64.8	0	0	0	0	108.6	M78 N79 G109 A111 R160	M78-T113 HydrophobicContact CB-CG2 4Å; M78-T113 WeakPolarHBondContact O-CG2 3.38Å; N79-T113 PolarHBondContact ND2-O 2.73Å; G109-T113 CarbonylContact C-O 3.46Å; G109-T113 VanDerWaalsContact CA-O 3.28Å; G109-T113 WeakPolarHBondContact CA-O 3.49Å; A111-T113 PolarHBondContact O-N 2.79Å; T113-R160 HydrophobicContact CG2-CB 4.47Å
114	F	98.3	Very high	89	Confident	1 Å²	1	41.1 Å²	41.1	0%	0.004	22%	0.218	C	C	.	.			trans	-73	-67.7	175.4	-177.8	-99	0	0	0	110.5	N79 V107 G109 A155 L156 V157 R160 A161 G165 L168 T169	N79-F114 WeakPolarHBondContact CB-O 3.36Å; V107-F114 HydrophobicContact CG1-CE2 4.23Å; V107-F114 HydrophobicContact CG1-CZ 4.03Å; G109-F114 WeakPolarHBondContact CA-O 3.31Å; F114-A155 HydrophobicContact CE2-CB 4.25Å; F114-A155 HydrophobicContact CZ-CB 4.2Å; F114-L156 VanDerWaalsContact CD2-O 3.26Å; F114-L156 WeakPolarHBondContact CD2-O 3.36Å; F114-V157 HydrophobicContact CB-CG1 4.19Å; F114-V157 HydrophobicContact CD2-CG2 4.28Å; F114-V157 HydrophobicContact CG-CG2 4.45Å; F114-R160 WeakPolarHBondContact CB-O 3.25Å; F114-R160 PolarHBondContact N-O 3.35Å; F114-R160 VanDerWaalsContact N-O 3.12Å; F114-A161 HydrophobicContact CB-CB 4.05Å; F114-A161 HydrophobicContact CD1-CB 3.61Å; F114-A161 HydrophobicContact CE1-CB 4.46Å; F114-A161 HydrophobicContact CG-CB 4.12Å; F114-G165 WeakPolarHBondContact CE1-O 3.24Å; F114-L168 HydrophobicContact CE1-CB 4.21Å; F114-L168 HydrophobicContact CE1-CD2 3.85Å; F114-L168 HydrophobicContact CE1-CG 4Å; F114-L168 HydrophobicContact CZ-CD2 3.97Å; F114-L168 HydrophobicContact CZ-CG 4.06Å; F114-T169 HydrophobicContact CD1-CG2 3.91Å; F114-T169 HydrophobicContact CE1-CG2 3.46Å; F114-T169 VanDerWaalsContact CE1-CG2 3.46Å; F114-T169 HydrophobicContact CZ-CG2 3.86Å
115	C	98.1	Very high	87.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-171.8	132.1	179	176.1	0	0	0	0	109.5	N79 F81 G117 R160 A161 L162 G165	N79-C115 PolarHBondContact O-SG 3.34Å; F81-C115 VanDerWaalsContact CD2-SG 3.6Å; C115-G117 PolarHBondContact SG-N 2.82Å; C115-G117 VanDerWaalsContact SG-N 3.35Å; C115-R160 PolarHBondContact N-O 3.3Å; C115-A161 CarbonylContact O-C 3.57Å; C115-A161 VanDerWaalsContact O-CA 3.31Å; C115-A161 WeakPolarHBondContact O-CA 3.5Å; C115-L162 PolarHBondContact O-N 2.79Å; C115-G165 VanDerWaalsContact SG-CA 3.54Å
116	S	96.4	Very high	86.1	Confident	27 Å²	27	44.9 Å²	44.9	19%	0.189	25%	0.245	C	C	.	.			trans	-89.7	2.1	178.2	57.4	0	0	0	0	114.8	R77 M78 A80 L162	R77-S116 PolarHBondContact O-OG 3.4Å; M78-S116 WeakPolarHBondContact O-CB 3.47Å; M78-S116 PolarHBondContact O-N 3.12Å; M78-S116 PolarHBondContact O-OG 3.18Å; A80-S116 WeakPolarHBondContact CB-OG 3.32Å; S116-L162 CarbonylContact C-O 3.41Å
117	G	94.3	Very high	84.8	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.021	28%	0.278	C	S	.	.			trans	103.4	-146.1	-179.2	0	0	0	0	0	112.7	A80 F81 C115 L162	A80-G117 CarbonylContact C-O 3.56Å; A80-G117 VanDerWaalsContact CA-O 3.26Å; A80-G117 WeakPolarHBondContact CA-O 3.49Å; F81-G117 PolarHBondContact N-O 2.84Å; C115-G117 PolarHBondContact SG-N 2.82Å; C115-G117 VanDerWaalsContact SG-N 3.35Å; G117-L162 PolarHBondContact N-O 3.17Å
118	S	92.1	Very high	84.3	Confident	29 Å²	29	51.3 Å²	51.3	20%	0.203	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-75.2	142.5	175.5	-54.2	0	0	0	0	111.4	L120 V123 W196	S118-L120 PolarHBondContact O-N 2.88Å; S118-V123 VanDerWaalsContact CB-CG2 3.45Å; S118-W196 VanDerWaalsContact OG-CZ2 3.22Å; S118-W196 WeakPolarHBondContact OG-CZ2 3.4Å
119	D	85.6	Confident	83.8	Confident	25 Å²	25	54 Å²	54	13%	0.134	31%	0.313	C	S	.	.			trans	-63.3	123.2	166.9	-171.3	-31.8	0	0	0	109.2	A80 F81 N121 A122 V123	A80-D119 HydrophobicContact CB-CB 4.13Å; F81-D119 PolarHBondContact O-N 2.94Å; D119-N121 PolarHBondContact O-N 2.56Å; D119-N121 WeakPolarHBondContact OD1-CB 3.46Å; D119-N121 PolarHBondContact OD1-N 2.77Å; D119-A122 HydrophobicContact CB-CB 4.4Å; D119-A122 WeakPolarHBondContact O-CB 3.31Å; D119-A122 PolarHBondContact O-N 3.07Å; D119-V123 WeakPolarHBondContact O-CG2 3.09Å; D119-V123 PolarHBondContact O-N 3.47Å
120	L	72.4	Confident	83.4	Confident	106 Å²	106	59.8 Å²	59.8	56%	0.555	34%	0.34	S	S	*	.	H	α-helix	trans	-60.7	-26.1	-177.9	-63.5	178.9	0	0	0	112.8	S118 V123 R124	S118-L120 PolarHBondContact O-N 2.88Å; L120-V123 PolarHBondContact O-N 3.14Å; L120-R124 WeakPolarHBondContact O-CB 3.22Å; L120-R124 VanDerWaalsContact O-CG 3.25Å; L120-R124 WeakPolarHBondContact O-CG 3.09Å; L120-R124 PolarHBondContact O-N 2.7Å
121	N	71.6	Confident	82.9	Confident	91 Å²	91	61 Å²	61	49%	0.487	35%	0.345	S	S	.	.	H	α-helix	trans	-70	-39.8	175.2	-65.8	-39.3	0	0	0	111.5	D119 R124 A125	D119-N121 PolarHBondContact O-N 2.56Å; D119-N121 WeakPolarHBondContact OD1-CB 3.46Å; D119-N121 PolarHBondContact OD1-N 2.77Å; N121-R124 PolarHBondContact O-N 2.84Å; N121-A125 PolarHBondContact O-N 2.89Å
122	A	66.8	Low	82.8	Confident	5 Å²	5	58.8 Å²	58.8	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-65.9	-41.8	172.5	0	0	0	0	0	110.7	F53 D119 R124 A125 I126	F53-A122 HydrophobicContact CB-CB 4.15Å; F53-A122 HydrophobicContact CG-CB 4.37Å; D119-A122 HydrophobicContact CB-CB 4.4Å; D119-A122 WeakPolarHBondContact O-CB 3.31Å; D119-A122 PolarHBondContact O-N 3.07Å; A122-R124 VanDerWaalsContact C-N 3.34Å; A122-R124 PolarHBondContact O-N 3.49Å; A122-A125 PolarHBondContact O-N 3.4Å; A122-I126 VanDerWaalsContact O-CG1 3.26Å; A122-I126 WeakPolarHBondContact O-CG1 3.29Å; A122-I126 PolarHBondContact O-N 3.06Å
123	V	68.3	Low	83.2	Confident	57 Å²	57	56.4 Å²	56.4	35%	0.345	32%	0.319	S	S	.	.	H	α-helix	trans	-61.2	-40.6	175.9	176.6	0	0	0	0	111.9	S118 D119 L120 A125 I126	S118-V123 VanDerWaalsContact CB-CG2 3.45Å; D119-V123 WeakPolarHBondContact O-CG2 3.09Å; D119-V123 PolarHBondContact O-N 3.47Å; L120-V123 PolarHBondContact O-N 3.14Å; V123-A125 VanDerWaalsContact C-N 3.29Å; V123-A125 PolarHBondContact O-N 3Å; V123-I126 CarbonylContact O-C 3.57Å; V123-I126 PolarHBondContact O-N 3.07Å; V123-I126 VanDerWaalsContact O-O 3.08Å
124	R	68.1	Low	83	Confident	191 Å²	191	56.8 Å²	56.8	72%	0.721	32%	0.318	S	S	*	.	H	α-helix	trans	-66.2	-30.4	178.5	-77.6	174.8	-174.5	-152.4	2.5	113.4	L120 N121 A122 S127	L120-R124 WeakPolarHBondContact O-CB 3.22Å; L120-R124 VanDerWaalsContact O-CG 3.25Å; L120-R124 WeakPolarHBondContact O-CG 3.09Å; L120-R124 PolarHBondContact O-N 2.7Å; N121-R124 PolarHBondContact O-N 2.84Å; A122-R124 VanDerWaalsContact C-N 3.34Å; A122-R124 PolarHBondContact O-N 3.49Å; R124-S127 WeakPolarHBondContact O-CB 3.28Å
125	A	67.7	Low	82.7	Confident	52 Å²	52	58.3 Å²	58.3	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-81.9	-21.1	175.5	0	0	0	0	0	112.8	F53 N121 A122 V123 S127	F53-A125 HydrophobicContact CD1-CB 4.04Å; F53-A125 HydrophobicContact CE1-CB 3.11Å; F53-A125 HydrophobicContact CE2-CB 4.42Å; F53-A125 HydrophobicContact CZ-CB 3.34Å; N121-A125 PolarHBondContact O-N 2.89Å; A122-A125 PolarHBondContact O-N 3.4Å; V123-A125 VanDerWaalsContact C-N 3.29Å; V123-A125 PolarHBondContact O-N 3Å; A125-S127 PolarHBondContact O-N 3.42Å
126	I	68.1	Low	82.5	Confident	27 Å²	27	59.8 Å²	59.8	14%	0.138	34%	0.335	C	S	.	.	S	Bend	trans	-98.3	59.9	172.9	-58.2	170.2	0	0	0	107.9	L50 F53 A122 V123 D131 M135	L50-I126 HydrophobicContact CD2-CD1 3.95Å; F53-I126 HydrophobicContact CE2-CG1 4.21Å; A122-I126 VanDerWaalsContact O-CG1 3.26Å; A122-I126 WeakPolarHBondContact O-CG1 3.29Å; A122-I126 PolarHBondContact O-N 3.06Å; V123-I126 CarbonylContact O-C 3.57Å; V123-I126 PolarHBondContact O-N 3.07Å; V123-I126 VanDerWaalsContact O-O 3.08Å; I126-D131 HydrophobicContact CB-CB 4.33Å; I126-D131 VanDerWaalsContact CG2-C 3.46Å; I126-D131 HydrophobicContact CG2-CB 3.45Å; I126-D131 VanDerWaalsContact CG2-CB 3.45Å; I126-M135 HydrophobicContact CG2-CB 4.5Å
127	S	72.5	Confident	82.4	Confident	99 Å²	99	59 Å²	59	69%	0.692	33%	0.329	S	S	*	.			trans	-93.2	-11.2	-168.9	58.3	0	0	0	0	114.9	R124 A125	R124-S127 WeakPolarHBondContact O-CB 3.28Å; A125-S127 PolarHBondContact O-N 3.42Å
128	S	87.6	Confident	82.4	Confident	35 Å²	35	59 Å²	59	25%	0.245	33%	0.328	C	S	.	.	S	Bend	trans	-82.3	147.5	177.6	80.9	0	0	0	0	111.3	Q130 D131 G132	S128-Q130 PolarHBondContact O-N 3.44Å; S128-D131 PolarHBondContact O-N 3.4Å; S128-D131 VanDerWaalsContact O-N 3.13Å; S128-D131 WeakPolarHBondContact OG-CB 3.26Å; S128-D131 PolarHBondContact OG-N 2.83Å; S128-D131 PolarHBondContact OG-OD2 3.01Å; S128-G132 PolarHBondContact O-N 2.7Å
129	P	88.3	Confident	82.6	Confident	109 Å²	109	57.6 Å²	57.6	71%	0.708	32%	0.319	S	S	*	.	H	α-helix	trans	-52.9	-35.9	172.6	-28.1	35.8	0	0	0	113.2	M133	P129-M133 WeakPolarHBondContact O-CB 3.37Å; P129-M133 PolarHBondContact O-N 3.42Å
130	Q	89.3	Confident	83.2	Confident	123 Å²	123	58.6 Å²	58.6	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-67.8	-43.9	178.7	-67	77.2	8.1	0	0	111.8	S128 M133 K134	S128-Q130 PolarHBondContact O-N 3.44Å; Q130-M133 PolarHBondContact O-N 2.75Å; Q130-K134 WeakPolarHBondContact O-CG 3.46Å; Q130-K134 PolarHBondContact O-N 3.27Å
131	D	86.2	Confident	84.4	Confident	45 Å²	45	53.7 Å²	53.7	24%	0.241	30%	0.297	C	S	.	.	H	α-helix	trans	-67.9	-38.9	177.7	-62.9	-46.5	0	0	0	110.9	K49 I126 S128 M133 K134 M135	K49-D131 IonicContact NZ-OD1 2.79Å; I126-D131 HydrophobicContact CB-CB 4.33Å; I126-D131 VanDerWaalsContact CG2-C 3.46Å; I126-D131 HydrophobicContact CG2-CB 3.45Å; I126-D131 VanDerWaalsContact CG2-CB 3.45Å; S128-D131 PolarHBondContact O-N 3.4Å; S128-D131 VanDerWaalsContact O-N 3.13Å; S128-D131 WeakPolarHBondContact OG-CB 3.26Å; S128-D131 PolarHBondContact OG-N 2.83Å; S128-D131 PolarHBondContact OG-OD2 3.01Å; D131-M133 VanDerWaalsContact C-N 3.34Å; D131-M133 PolarHBondContact O-N 2.86Å; D131-K134 PolarHBondContact O-N 2.94Å; D131-M135 PolarHBondContact O-N 2.86Å
132	G	89	Confident	85.6	Confident	26 Å²	26	49.3 Å²	49.3	27%	0.268	27%	0.274	S	S	.	.	H	α-helix	trans	-59.1	-42.5	172.1	0	0	0	0	0	112.7	S128 M135 C136	S128-G132 PolarHBondContact O-N 2.7Å; G132-M135 PolarHBondContact O-N 3.4Å; G132-C136 WeakPolarHBondContact O-CB 3.3Å; G132-C136 PolarHBondContact O-N 2.83Å
133	M	90.8	Very high	87.1	Confident	107 Å²	107	49.1 Å²	49.1	53%	0.527	27%	0.272	S	S	.	.	H	α-helix	trans	-65.4	-42.3	175.9	-165.1	177.5	83.2	0	0	112	P129 Q130 D131 C136 M137	P129-M133 WeakPolarHBondContact O-CB 3.37Å; P129-M133 PolarHBondContact O-N 3.42Å; Q130-M133 PolarHBondContact O-N 2.75Å; D131-M133 VanDerWaalsContact C-N 3.34Å; D131-M133 PolarHBondContact O-N 2.86Å; M133-C136 WeakPolarHBondContact O-CB 3.48Å; M133-C136 PolarHBondContact O-N 2.85Å; M133-M137 HydrophobicContact CE-SD 4.17Å; M133-M137 HydrophobicContact CG-SD 4.1Å; M133-M137 VanDerWaalsContact O-CG 3.22Å; M133-M137 WeakPolarHBondContact O-CG 3.29Å; M133-M137 PolarHBondContact O-N 3.03Å
134	K	91.6	Very high	88.5	Confident	35 Å²	35	47.3 Å²	47.3	15%	0.152	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-44.8	176.3	-73.5	177.4	175.8	-176.3	0	111.8	F41 E45 T46 Q130 D131 M137 F138	F41-K134 HydrophobicContact CD2-CG 4.46Å; E45-K134 IonicContact OE1-NZ 2.56Å; E45-K134 PolarHBondContact OE1-NZ 2.97Å; E45-K134 IonicContact OE2-NZ 2.7Å; T46-K134 HydrophobicContact CG2-CB 4.13Å; Q130-K134 WeakPolarHBondContact O-CG 3.46Å; Q130-K134 PolarHBondContact O-N 3.27Å; D131-K134 PolarHBondContact O-N 2.94Å; K134-M137 PolarHBondContact O-N 2.95Å; K134-F138 WeakPolarHBondContact O-CB 3.47Å; K134-F138 PolarHBondContact O-N 3.46Å
135	M	91.6	Very high	90	Very high	33 Å²	33	39.5 Å²	39.5	16%	0.163	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-44.9	175.4	-179.8	-79.7	-66.4	0	0	111.6	M86 I126 D131 G132 M137 F138 M139 W196	M86-M135 HydrophobicContact CE-CG 4.28Å; M86-M135 HydrophobicContact CE-SD 4.36Å; M86-M135 HydrophobicContact SD-CG 3.87Å; M86-M135 HydrophobicContact SD-SD 4.4Å; I126-M135 HydrophobicContact CG2-CB 4.5Å; D131-M135 PolarHBondContact O-N 2.86Å; G132-M135 PolarHBondContact O-N 3.4Å; M135-M137 PolarHBondContact O-N 3.34Å; M135-F138 PolarHBondContact O-N 2.93Å; M135-M139 PolarHBondContact O-N 2.89Å; M135-M139 HydrophobicContact SD-CG 4.01Å; M135-W196 PolarHBondContact SD-NE1 3.36Å
136	C	93.5	Very high	91.5	Very high	31 Å²	31	37.1 Å²	37.1	21%	0.209	21%	0.211	C	C	.	.	H	α-helix	trans	-54.3	-50.9	174.9	171.8	0	0	0	0	111.5	G132 M133 F138 M139 Q140 G195	G132-C136 WeakPolarHBondContact O-CB 3.3Å; G132-C136 PolarHBondContact O-N 2.83Å; M133-C136 WeakPolarHBondContact O-CB 3.48Å; M133-C136 PolarHBondContact O-N 2.85Å; C136-F138 PolarHBondContact O-N 2.83Å; C136-M139 PolarHBondContact O-N 3.4Å; C136-Q140 VanDerWaalsContact O-CB 3.28Å; C136-Q140 WeakPolarHBondContact O-CB 3.33Å; C136-Q140 VanDerWaalsContact O-CG 3.23Å; C136-Q140 WeakPolarHBondContact O-CG 3.28Å; C136-Q140 PolarHBondContact O-N 3.07Å; C136-Q140 PolarHBondContact SG-NE2 3.29Å; C136-G195 PolarHBondContact SG-O 3.16Å
137	M	94.6	Very high	92.9	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.054	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-42.5	177.5	-68.2	167.9	75.2	0	0	112.2	Y35 T38 F41 M133 K134 M135 D141	Y35-M137 HydrophobicContact CD1-CE 3.64Å; Y35-M137 HydrophobicContact CD1-CG 4.26Å; Y35-M137 HydrophobicContact CD2-CB 3.7Å; Y35-M137 HydrophobicContact CD2-CE 4.16Å; Y35-M137 HydrophobicContact CD2-CG 4.17Å; Y35-M137 WeakPolarHBondContact CD2-O 3.45Å; Y35-M137 HydrophobicContact CE1-CG 4.38Å; Y35-M137 HydrophobicContact CE2-CB 3.95Å; Y35-M137 HydrophobicContact CE2-CG 4.34Å; Y35-M137 WeakPolarHBondContact CE2-O 3.48Å; Y35-M137 HydrophobicContact CG-CB 4.11Å; Y35-M137 HydrophobicContact CG-CE 3.4Å; Y35-M137 HydrophobicContact CG-CG 4.16Å; T38-M137 HydrophobicContact CG2-CE 3.7Å; F41-M137 HydrophobicContact CB-CE 3.35Å; F41-M137 HydrophobicContact CB-SD 4.17Å; F41-M137 HydrophobicContact CD1-CE 3.97Å; F41-M137 HydrophobicContact CD2-CB 3.95Å; F41-M137 HydrophobicContact CD2-CE 3.69Å; F41-M137 HydrophobicContact CD2-SD 3.82Å; F41-M137 HydrophobicContact CE2-CB 3.7Å; F41-M137 HydrophobicContact CE2-CE 4.47Å; F41-M137 HydrophobicContact CG-CE 3.39Å; F41-M137 HydrophobicContact CG-SD 4.13Å; F41-M137 HydrophobicContact CZ-CB 4.15Å; M133-M137 HydrophobicContact CE-SD 4.17Å; M133-M137 HydrophobicContact CG-SD 4.1Å; M133-M137 VanDerWaalsContact O-CG 3.22Å; M133-M137 WeakPolarHBondContact O-CG 3.29Å; M133-M137 PolarHBondContact O-N 3.03Å; K134-M137 PolarHBondContact O-N 2.95Å; M135-M137 PolarHBondContact O-N 3.34Å; M137-D141 WeakPolarHBondContact O-CB 3.45Å; M137-D141 PolarHBondContact O-N 3.24Å
138	F	94.9	Very high	94.1	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-49	178.2	-170.8	-85.7	0	0	0	111.8	Q43 T46 R47 L50 M86 V87 E90 K134 M135 C136 D141 A142	Q43-F138 HydrophobicContact CG-CD2 4.46Å; Q43-F138 HydrophobicContact CG-CE2 4.34Å; T46-F138 HydrophobicContact CG2-CB 4.11Å; T46-F138 HydrophobicContact CG2-CD2 4.06Å; T46-F138 HydrophobicContact CG2-CG 4.33Å; R47-F138 HydrophobicContact CB-CE2 4.46Å; L50-F138 HydrophobicContact CD1-CB 4.41Å; L50-F138 HydrophobicContact CD1-CD1 3.7Å; L50-F138 HydrophobicContact CD1-CD2 4.18Å; L50-F138 HydrophobicContact CD1-CE1 3.96Å; L50-F138 HydrophobicContact CD1-CE2 4.41Å; L50-F138 HydrophobicContact CD1-CG 3.83Å; L50-F138 HydrophobicContact CD1-CZ 4.32Å; M86-F138 HydrophobicContact CB-CD1 4.44Å; M86-F138 HydrophobicContact CB-CE1 4.21Å; M86-F138 WeakPolarHBondContact O-CE1 3.44Å; V87-F138 HydrophobicContact CG2-CE1 4.48Å; V87-F138 HydrophobicContact CG2-CZ 4.06Å; E90-F138 HydrophobicContact CB-CE1 3.94Å; E90-F138 HydrophobicContact CB-CZ 3.75Å; E90-F138 HydrophobicContact CG-CE1 4.38Å; E90-F138 HydrophobicContact CG-CZ 3.9Å; K134-F138 WeakPolarHBondContact O-CB 3.47Å; K134-F138 PolarHBondContact O-N 3.46Å; M135-F138 PolarHBondContact O-N 2.93Å; C136-F138 PolarHBondContact O-N 2.83Å; F138-D141 PolarHBondContact O-N 3.17Å; F138-A142 PolarHBondContact O-N 2.86Å
139	M	97.1	Very high	94.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-72.6	-35.7	-179.5	-70.3	-57.6	-68	0	0	112.8	M86 L89 M135 C136 D141 A142 L143 W196	M86-M139 HydrophobicContact CB-SD 3.63Å; M86-M139 HydrophobicContact CG-CE 4.31Å; M86-M139 HydrophobicContact CG-CG 4.34Å; M86-M139 HydrophobicContact CG-SD 3.5Å; M86-M139 VanDerWaalsContact CG-SD 3.5Å; M86-M139 HydrophobicContact SD-CG 3.88Å; M86-M139 HydrophobicContact SD-SD 3.85Å; L89-M139 HydrophobicContact CD2-CE 3.98Å; M135-M139 PolarHBondContact O-N 2.89Å; M135-M139 HydrophobicContact SD-CG 4.01Å; C136-M139 PolarHBondContact O-N 3.4Å; M139-D141 VanDerWaalsContact C-N 3.3Å; M139-D141 PolarHBondContact O-N 2.93Å; M139-A142 PolarHBondContact O-N 3.22Å; M139-L143 WeakPolarHBondContact O-CB 3.42Å; M139-L143 WeakPolarHBondContact O-CG 3.26Å; M139-L143 PolarHBondContact O-N 2.93Å; M139-W196 HydrophobicContact CB-CB 4.08Å; M139-W196 VanDerWaalsContact CB-CD1 3.44Å; M139-W196 HydrophobicContact CB-CD2 4.08Å; M139-W196 HydrophobicContact CB-CG 3.63Å; M139-W196 HydrophobicContact CE-CD2 3.8Å; M139-W196 HydrophobicContact CE-CE3 3.7Å; M139-W196 HydrophobicContact CE-CG 4.49Å; M139-W196 HydrophobicContact CE-CH2 3.89Å; M139-W196 HydrophobicContact CE-CZ2 3.97Å; M139-W196 HydrophobicContact CE-CZ3 3.74Å; M139-W196 HydrophobicContact CG-CD2 4.21Å; M139-W196 HydrophobicContact CG-CG 4.22Å; M139-W196 HydrophobicContact CG-CZ2 4.38Å
140	Q	97.4	Very high	95.1	Very high	46 Å²	46	32.1 Å²	32.1	22%	0.215	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-40.7	172.5	-76.9	-179.8	11.7	0	0	111.5	Y35 C136 T144 G195	Y35-Q140 HydrophobicContact CE2-CB 4.08Å; Y35-Q140 WeakPolarHBondContact OH-CB 3.48Å; Y35-Q140 PolarHBondContact OH-OE1 2.99Å; C136-Q140 VanDerWaalsContact O-CB 3.28Å; C136-Q140 WeakPolarHBondContact O-CB 3.33Å; C136-Q140 VanDerWaalsContact O-CG 3.23Å; C136-Q140 WeakPolarHBondContact O-CG 3.28Å; C136-Q140 PolarHBondContact O-N 3.07Å; C136-Q140 PolarHBondContact SG-NE2 3.29Å; Q140-T144 WeakPolarHBondContact O-CB 3.02Å; Q140-T144 PolarHBondContact O-N 3.12Å; Q140-T144 PolarHBondContact O-OG1 2.89Å; Q140-G195 WeakPolarHBondContact CG-O 3.4Å; Q140-G195 PolarHBondContact NE2-O 3.03Å
141	D	96.9	Very high	95.5	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.011	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-56.4	174.8	-175	70.4	0	0	0	111.7	C33 L34 Y35 M137 F138 M139 L143 T144 R145	C33-D141 VanDerWaalsContact CA-OD1 3.24Å; C33-D141 WeakPolarHBondContact CA-OD1 3.39Å; C33-D141 VanDerWaalsContact SG-CG 3.58Å; L34-D141 WeakPolarHBondContact CG-OD1 3.44Å; L34-D141 PolarHBondContact N-OD1 3.06Å; Y35-D141 HydrophobicContact CD2-CB 4.5Å; Y35-D141 HydrophobicContact CE2-CB 4.42Å; M137-D141 WeakPolarHBondContact O-CB 3.45Å; M137-D141 PolarHBondContact O-N 3.24Å; F138-D141 PolarHBondContact O-N 3.17Å; M139-D141 VanDerWaalsContact C-N 3.3Å; M139-D141 PolarHBondContact O-N 2.93Å; D141-L143 PolarHBondContact O-N 2.9Å; D141-T144 PolarHBondContact O-N 3.05Å; D141-R145 WeakPolarHBondContact O-CB 3.36Å; D141-R145 WeakPolarHBondContact O-CG 3.46Å; D141-R145 PolarHBondContact O-N 2.81Å; D141-R145 VanDerWaalsContact OD2-CD 3.28Å; D141-R145 WeakPolarHBondContact OD2-CD 3.43Å; D141-R145 IonicContact OD2-NH1 2.7Å
142	A	97.9	Very high	96.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57	-46.2	-178	0	0	0	0	0	112.3	E90 F138 M139 R145 L146	E90-A142 HydrophobicContact CB-CB 4.17Å; E90-A142 HydrophobicContact CG-CB 4.4Å; F138-A142 PolarHBondContact O-N 2.86Å; M139-A142 PolarHBondContact O-N 3.22Å; A142-R145 PolarHBondContact O-N 2.88Å; A142-L146 PolarHBondContact O-N 3.23Å
143	L	98.6	Very high	96.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-72.9	-30.8	180	-66.2	-167.9	0	0	0	113.4	L89 M139 D141 L147 L168 A171 W196	L89-L143 HydrophobicContact CD2-CD2 3.82Å; M139-L143 WeakPolarHBondContact O-CB 3.42Å; M139-L143 WeakPolarHBondContact O-CG 3.26Å; M139-L143 PolarHBondContact O-N 2.93Å; D141-L143 PolarHBondContact O-N 2.9Å; L143-L147 WeakPolarHBondContact O-CB 3.41Å; L143-L147 PolarHBondContact O-N 3.37Å; L143-L168 HydrophobicContact CD2-CD1 3.49Å; L143-L168 VanDerWaalsContact CD2-CD1 3.49Å; L143-A171 HydrophobicContact CB-CB 3.87Å; L143-A171 HydrophobicContact CD1-CB 4.42Å; L143-A171 HydrophobicContact CD2-CB 4.15Å; L143-A171 HydrophobicContact CG-CB 4.37Å; L143-W196 HydrophobicContact CD1-CB 3.73Å; L143-W196 HydrophobicContact CD1-CE3 4.13Å
144	T	98	Very high	97	Very high	20 Å²	20	18.6 Å²	18.6	12%	0.123	9%	0.09	C	C	.	.	H	α-helix	trans	-71	-37.2	173.9	-59.3	0	0	0	0	111	L34 Q140 D141 L147 R148 R201	L34-T144 HydrophobicContact CD1-CG2 3.91Å; L34-T144 HydrophobicContact CD2-CG2 4.41Å; Q140-T144 WeakPolarHBondContact O-CB 3.02Å; Q140-T144 PolarHBondContact O-N 3.12Å; Q140-T144 PolarHBondContact O-OG1 2.89Å; D141-T144 PolarHBondContact O-N 3.05Å; T144-L147 PolarHBondContact O-N 3Å; T144-R148 WeakPolarHBondContact O-CB 3.38Å; T144-R148 VanDerWaalsContact O-CG 3.31Å; T144-R148 WeakPolarHBondContact O-CG 3.47Å; T144-R148 PolarHBondContact O-N 3.11Å; T144-R201 PolarHBondContact OG1-NH2 2.99Å
145	R	98.3	Very high	97.3	Very high	27 Å²	27	16.9 Å²	16.9	10%	0.102	8%	0.083	C	C	.	.	H	α-helix	trans	-64.4	-42.7	172.7	-72	168.9	61.2	-158.3	-2	111.4	E90 V93 S94 E97 D141 A142 L147 R148 L149	E90-R145 IonicContact OE1-CZ 2.84Å; E90-R145 IonicContact OE1-NH1 3.19Å; E90-R145 PolarHBondContact OE1-NH1 3.29Å; E90-R145 IonicContact OE1-NH2 3.71Å; V93-R145 HydrophobicContact CG1-CB 3.61Å; S94-R145 PolarHBondContact OG-NH2 3.03Å; E97-R145 IonicContact OE1-CZ 3.57Å; E97-R145 IonicContact OE1-NE 2.73Å; E97-R145 PolarHBondContact OE1-NE 3.43Å; E97-R145 IonicContact OE1-NH2 3.61Å; E97-R145 PolarHBondContact OE1-NH2 3.5Å; E97-R145 IonicContact OE2-CZ 3.97Å; E97-R145 IonicContact OE2-NE 3.06Å; E97-R145 IonicContact OE2-NH2 2.73Å; E97-R145 PolarHBondContact OE2-NH2 3.29Å; D141-R145 WeakPolarHBondContact O-CB 3.36Å; D141-R145 WeakPolarHBondContact O-CG 3.46Å; D141-R145 PolarHBondContact O-N 2.81Å; D141-R145 VanDerWaalsContact OD2-CD 3.28Å; D141-R145 WeakPolarHBondContact OD2-CD 3.43Å; D141-R145 IonicContact OD2-NH1 2.7Å; A142-R145 PolarHBondContact O-N 2.88Å; R145-L147 PolarHBondContact O-N 2.93Å; R145-R148 CarbonylContact O-C 3.16Å; R145-R148 PolarHBondContact O-N 3.09Å; R145-R148 VanDerWaalsContact O-N 3.08Å; R145-L149 PolarHBondContact O-N 3.32Å
146	L	98.8	Very high	97.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-54.7	-51.3	172.5	-171.1	155.5	0	0	0	111.4	L89 V93 L105 A142 R148 L149 L168 A171	L89-L146 HydrophobicContact CD1-CD1 4.25Å; V93-L146 HydrophobicContact CG2-CB 3.93Å; V93-L146 HydrophobicContact CG2-CD1 4.22Å; V93-L146 HydrophobicContact CG2-CG 4.35Å; L105-L146 HydrophobicContact CD2-CG 4.45Å; A142-L146 PolarHBondContact O-N 3.23Å; L146-R148 PolarHBondContact O-N 3.47Å; L146-L149 HydrophobicContact CG-CD1 4.3Å; L146-L149 VanDerWaalsContact O-CB 3.31Å; L146-L149 WeakPolarHBondContact O-CB 3.27Å; L146-L149 WeakPolarHBondContact O-CD1 3.34Å; L146-L149 VanDerWaalsContact O-CG 3.27Å; L146-L149 WeakPolarHBondContact O-CG 3.48Å; L146-L149 PolarHBondContact O-N 3.08Å; L146-L149 VanDerWaalsContact O-N 3.14Å; L146-L168 HydrophobicContact CD1-CD1 4.29Å; L146-A171 HydrophobicContact CD2-CB 4.14Å; L146-A171 WeakPolarHBondContact CD2-O 3.43Å
147	L	98.3	Very high	97.9	Very high	9 Å²	9	13.9 Å²	13.9	5%	0.047	7%	0.065	C	C	.	.	H	α-helix	trans	-60.4	-30.6	178.1	-176.6	62.9	0	0	0	113.2	L143 T144 R145 A171 K271 R278	L143-L147 WeakPolarHBondContact O-CB 3.41Å; L143-L147 PolarHBondContact O-N 3.37Å; T144-L147 PolarHBondContact O-N 3Å; R145-L147 PolarHBondContact O-N 2.93Å; L147-A171 WeakPolarHBondContact CA-O 3.36Å; L147-A171 VanDerWaalsContact CB-O 3.31Å; L147-A171 WeakPolarHBondContact CB-O 3.47Å; L147-A171 VanDerWaalsContact CD1-O 3.25Å; L147-A171 WeakPolarHBondContact CD1-O 3.27Å; L147-A171 PolarHBondContact N-O 2.92Å; L147-K271 PolarHBondContact O-NZ 3.23Å; L147-R278 VanDerWaalsContact CG-NH2 3.25Å
148	R	97.9	Very high	97.9	Very high	113 Å²	113	14.8 Å²	14.8	43%	0.426	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-0.5	-179.2	-74.3	176.8	172.4	165.9	-2.7	114.3	T144 R145 L146 L275 E279	T144-R148 WeakPolarHBondContact O-CB 3.38Å; T144-R148 VanDerWaalsContact O-CG 3.31Å; T144-R148 WeakPolarHBondContact O-CG 3.47Å; T144-R148 PolarHBondContact O-N 3.11Å; R145-R148 CarbonylContact O-C 3.16Å; R145-R148 PolarHBondContact O-N 3.09Å; R145-R148 VanDerWaalsContact O-N 3.08Å; L146-R148 PolarHBondContact O-N 3.47Å; R148-L275 HydrophobicContact CB-CD1 4.47Å; R148-L275 HydrophobicContact CG-CD1 4.5Å; R148-E279 IonicContact CZ-OE2 3.29Å; R148-E279 IonicContact NE-OE1 2.69Å; R148-E279 PolarHBondContact NE-OE1 3.48Å; R148-E279 IonicContact NE-OE2 3.47Å; R148-E279 PolarHBondContact NE-OE2 2.95Å; R148-E279 IonicContact NH2-OE1 3.63Å; R148-E279 IonicContact NH2-OE2 2.67Å; R148-E279 PolarHBondContact NH2-OE2 3.46Å
149	L	98.5	Very high	97.9	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	7%	0.074	C	C	.	.	S	Bend	trans	-52.3	146.9	175.2	-74.4	171.1	0	0	0	110.1	V93 L96 E97 L105 R145 L146 L151 K271	V93-L149 HydrophobicContact CG1-CD2 4.42Å; L96-L149 HydrophobicContact CB-CD1 3.95Å; L96-L149 HydrophobicContact CB-CD2 3.7Å; L96-L149 HydrophobicContact CB-CG 4.5Å; L96-L149 HydrophobicContact CD1-CD1 3.92Å; E97-L149 HydrophobicContact CB-CD2 4.34Å; E97-L149 HydrophobicContact CG-CD2 3.62Å; L105-L149 HydrophobicContact CD2-CD1 3.94Å; R145-L149 PolarHBondContact O-N 3.32Å; L146-L149 HydrophobicContact CG-CD1 4.3Å; L146-L149 VanDerWaalsContact O-CB 3.31Å; L146-L149 WeakPolarHBondContact O-CB 3.27Å; L146-L149 WeakPolarHBondContact O-CD1 3.34Å; L146-L149 VanDerWaalsContact O-CG 3.27Å; L146-L149 WeakPolarHBondContact O-CG 3.48Å; L146-L149 PolarHBondContact O-N 3.08Å; L146-L149 VanDerWaalsContact O-N 3.14Å; L149-L151 HydrophobicContact CB-CB 4.25Å; L149-L151 HydrophobicContact CB-CD1 4.46Å; L149-L151 HydrophobicContact CB-CG 4.23Å; L149-L151 HydrophobicContact CD1-CD1 4.31Å; L149-L151 PolarHBondContact O-N 3.05Å; L149-K271 WeakPolarHBondContact O-CE 3.38Å
150	P	97.3	Very high	97.9	Very high	41 Å²	41	20.4 Å²	20.4	27%	0.266	9%	0.094	S	C	.	.	S	Bend	trans	-73.3	34.4	171.1	34.9	-36.4	0	0	0	111.2	Q268	P150-Q268 HydrophobicContact CB-CB 4.18Å; P150-Q268 HydrophobicContact CB-CG 4.07Å; P150-Q268 WeakPolarHBondContact O-CG 3.19Å
151	L	98.7	Very high	98	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	8%	0.083	C	C	.	.	S	Bend	trans	-125.1	140.2	-177.7	-53.3	176.5	0	0	0	108.1	L96 W99 G102 L105 L149 S153 K271	L96-L151 HydrophobicContact CB-CD1 4.14Å; L96-L151 HydrophobicContact CD2-CD1 3.79Å; L96-L151 HydrophobicContact CG-CD1 4.38Å; W99-L151 HydrophobicContact CE3-CD1 4.18Å; W99-L151 HydrophobicContact CE3-CD2 4.25Å; W99-L151 HydrophobicContact CZ3-CD1 4.42Å; W99-L151 HydrophobicContact CZ3-CD2 4.45Å; G102-L151 VanDerWaalsContact CA-CD2 3.5Å; G102-L151 WeakPolarHBondContact O-CD2 3.15Å; L105-L151 HydrophobicContact CB-CB 4.29Å; L105-L151 HydrophobicContact CB-CD1 4.21Å; L149-L151 HydrophobicContact CB-CB 4.25Å; L149-L151 HydrophobicContact CB-CD1 4.46Å; L149-L151 HydrophobicContact CB-CG 4.23Å; L149-L151 HydrophobicContact CD1-CD1 4.31Å; L149-L151 PolarHBondContact O-N 3.05Å; L151-S153 PolarHBondContact O-N 3.39Å; L151-K271 VanDerWaalsContact O-CE 3.26Å; L151-K271 WeakPolarHBondContact O-CE 3.37Å
152	V	98.7	Very high	98.1	Very high	16 Å²	16	19.2 Å²	19.2	10%	0.097	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	116.7	168	-174.4	0	0	0	0	107.7	K103 G104 L105 F174 L256 T260 I267	K103-V152 PolarHBondContact O-N 2.86Å; G104-V152 CarbonylContact C-O 3.5Å; G104-V152 WeakPolarHBondContact CA-O 3.42Å; L105-V152 PolarHBondContact N-O 3.22Å; V152-F174 HydrophobicContact CG1-CD2 4.01Å; V152-F174 HydrophobicContact CG1-CE2 3.57Å; V152-L256 HydrophobicContact CB-CD1 4.18Å; V152-L256 HydrophobicContact CG1-CD1 3.75Å; V152-T260 HydrophobicContact CB-CG2 4.03Å; V152-T260 HydrophobicContact CG2-CG2 4.33Å; V152-I267 HydrophobicContact CG2-CG2 3.92Å
153	S	98.9	Very high	98	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.9	-170	58.1	0	0	0	0	113	L105 L151 C172 D173 F174	L105-S153 CarbonylContact O-C 3.55Å; L105-S153 VanDerWaalsContact O-CA 3.25Å; L105-S153 WeakPolarHBondContact O-CA 3.45Å; L151-S153 PolarHBondContact O-N 3.39Å; S153-C172 WeakPolarHBondContact OG-CA 3.31Å; S153-D173 PolarHBondContact N-OD2 3.42Å; S153-D173 WeakPolarHBondContact O-CA 3.38Å; S153-D173 VanDerWaalsContact O-CB 3.3Å; S153-D173 WeakPolarHBondContact O-CB 3.38Å; S153-D173 PolarHBondContact O-N 3.43Å; S153-D173 PolarHBondContact OG-N 2.75Å; S153-D173 PolarHBondContact OG-OD2 2.82Å; S153-F174 PolarHBondContact O-N 2.94Å
154	V	98.9	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.4	175.4	64.3	0	0	0	0	110.6	L105 V106 V107 F174 L176 W255 L256	L105-V154 PolarHBondContact O-N 2.81Å; V106-V154 WeakPolarHBondContact CA-O 3.27Å; V106-V154 HydrophobicContact CB-CG1 4.33Å; V106-V154 HydrophobicContact CG1-CG1 4.38Å; V106-V154 HydrophobicContact CG2-CG1 3.87Å; V107-V154 PolarHBondContact N-O 2.96Å; V154-F174 CarbonylContact C-O 3.52Å; V154-F174 WeakPolarHBondContact CA-O 3.42Å; V154-F174 HydrophobicContact CB-CB 4.19Å; V154-F174 HydrophobicContact CG2-CB 3.94Å; V154-L176 HydrophobicContact CG2-CB 4.3Å; V154-L176 HydrophobicContact CG2-CD1 3.89Å; V154-L176 HydrophobicContact CG2-CG 3.66Å; V154-W255 HydrophobicContact CG2-CE3 4.49Å; V154-W255 HydrophobicContact CG2-CZ3 4.41Å; V154-L256 HydrophobicContact CB-CD1 4.45Å; V154-L256 HydrophobicContact CG1-CB 4.43Å; V154-L256 HydrophobicContact CG1-CD1 4.26Å; V154-L256 HydrophobicContact CG1-CD2 4.07Å; V154-L256 HydrophobicContact CG1-CG 4.49Å
155	A	98.9	Very high	98	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	116.7	167.8	0	0	0	0	0	108.8	F114 V157 T169 C172 F174 R175 L176	F114-A155 HydrophobicContact CE2-CB 4.25Å; F114-A155 HydrophobicContact CZ-CB 4.2Å; A155-V157 HydrophobicContact CB-CG2 4.3Å; A155-T169 HydrophobicContact CB-CG2 4.22Å; A155-C172 HydrophobicContact CB-CB 4.01Å; A155-F174 PolarHBondContact N-O 2.88Å; A155-R175 HydrophobicContact CB-CG 4.03Å; A155-R175 WeakPolarHBondContact O-CA 3.31Å; A155-L176 PolarHBondContact O-N 3.18Å
156	L	98.7	Very high	98	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	98.2	173	172.8	57	0	0	0	108.9	V106 V107 R108 F114 E158 L236 P248 L249 A252	V106-L156 HydrophobicContact CG1-CB 3.88Å; V106-L156 HydrophobicContact CG1-CD2 4.25Å; V107-L156 PolarHBondContact O-N 3.42Å; R108-L156 HydrophobicContact CB-CB 4.09Å; R108-L156 HydrophobicContact CB-CD2 4.25Å; R108-L156 HydrophobicContact CB-CG 4.36Å; F114-L156 VanDerWaalsContact CD2-O 3.26Å; F114-L156 WeakPolarHBondContact CD2-O 3.36Å; L156-E158 HydrophobicContact CD1-CG 3.98Å; L156-E158 HydrophobicContact CD2-CG 4.37Å; L156-E158 HydrophobicContact CG-CG 3.87Å; L156-E158 PolarHBondContact O-N 3.26Å; L156-L236 HydrophobicContact CD1-CD1 3.44Å; L156-L236 VanDerWaalsContact CD1-CD1 3.44Å; L156-L236 HydrophobicContact CD1-CD2 4.26Å; L156-L236 HydrophobicContact CD1-CG 4.32Å; L156-P248 HydrophobicContact CD2-CB 4.48Å; L156-L249 HydrophobicContact CD2-CB 4.41Å; L156-L249 HydrophobicContact CD2-CD1 4.42Å; L156-A252 HydrophobicContact CB-CB 4.43Å; L156-A252 HydrophobicContact CD1-CB 4.09Å; L156-A252 HydrophobicContact CD2-CB 4Å; L156-A252 HydrophobicContact CG-CB 4.4Å
157	V	98.5	Very high	98	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	86	-175.6	-171.5	0	0	0	0	109.2	F114 A155 G159 A161 T169 L176 M177 A178 S181 I183	F114-V157 HydrophobicContact CB-CG1 4.19Å; F114-V157 HydrophobicContact CD2-CG2 4.28Å; F114-V157 HydrophobicContact CG-CG2 4.45Å; A155-V157 HydrophobicContact CB-CG2 4.3Å; V157-G159 VanDerWaalsContact C-N 3.35Å; V157-G159 WeakPolarHBondContact CG1-O 3.45Å; V157-A161 HydrophobicContact CG1-CB 4.05Å; V157-T169 HydrophobicContact CG2-CG2 3.82Å; V157-L176 PolarHBondContact N-O 3.48Å; V157-M177 HydrophobicContact CB-CG 4.27Å; V157-A178 PolarHBondContact O-N 2.82Å; V157-S181 WeakPolarHBondContact O-CB 3.42Å; V157-S181 PolarHBondContact O-OG 3.45Å; V157-I183 HydrophobicContact CG1-CG1 4.09Å; V157-I183 HydrophobicContact CG2-CD1 4.24Å; V157-I183 HydrophobicContact CG2-CG1 4.45Å
158	E	94.4	Very high	98	Very high	30 Å²	30	17 Å²	17	14%	0.14	8%	0.081	C	C	.	.	S	Bend	trans	-78.1	-21.3	-179.5	-69.4	164.2	94.7	0	0	113.2	R108 L156 A178 P248	R108-E158 IonicContact CZ-OE1 3.68Å; R108-E158 IonicContact CZ-OE2 3.57Å; R108-E158 IonicContact NE-OE2 3.74Å; R108-E158 PolarHBondContact NE-OE2 3.03Å; R108-E158 IonicContact NH2-OE1 2.84Å; R108-E158 PolarHBondContact NH2-OE1 3.34Å; R108-E158 IonicContact NH2-OE2 3.4Å; R108-E158 PolarHBondContact NH2-OE2 3.47Å; L156-E158 HydrophobicContact CD1-CG 3.98Å; L156-E158 HydrophobicContact CD2-CG 4.37Å; L156-E158 HydrophobicContact CG-CG 3.87Å; L156-E158 PolarHBondContact O-N 3.26Å; E158-A178 HydrophobicContact CB-CB 4.47Å; E158-P248 HydrophobicContact CG-CB 3.96Å; E158-P248 VanDerWaalsContact OE1-CB 3.27Å; E158-P248 WeakPolarHBondContact OE1-CB 3.43Å
159	G	95.2	Very high	98.1	Very high	10 Å²	10	11.6 Å²	11.6	10%	0.103	6%	0.06	C	C	.	.	S	Bend	trans	-149.9	-124.7	178	0	0	0	0	0	112.4	E112 V157 S181 V182	E112-G159 VanDerWaalsContact O-CA 3.28Å; E112-G159 WeakPolarHBondContact O-CA 3.31Å; V157-G159 VanDerWaalsContact C-N 3.35Å; V157-G159 WeakPolarHBondContact CG1-O 3.45Å; G159-S181 WeakPolarHBondContact O-CA 3.09Å; G159-S181 WeakPolarHBondContact O-CB 3.31Å; G159-V182 PolarHBondContact O-N 3.01Å
160	R	98.1	Very high	98.1	Very high	110 Å²	110	11.7 Å²	11.7	42%	0.415	6%	0.061	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.8	-172.5	-52.7	179.3	81.8	108.6	-5.4	111.8	T113 F114 C115 L162	T113-R160 HydrophobicContact CG2-CB 4.47Å; F114-R160 WeakPolarHBondContact CB-O 3.25Å; F114-R160 PolarHBondContact N-O 3.35Å; F114-R160 VanDerWaalsContact N-O 3.12Å; C115-R160 PolarHBondContact N-O 3.3Å; R160-L162 HydrophobicContact CB-CD1 4.35Å; R160-L162 HydrophobicContact CB-CD2 4.29Å; R160-L162 HydrophobicContact CB-CG 4.08Å
161	A	98.6	Very high	98.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	102	165.9	0	0	0	0	0	108.7	F114 C115 V157 T169 V182 I183 Q184	F114-A161 HydrophobicContact CB-CB 4.05Å; F114-A161 HydrophobicContact CD1-CB 3.61Å; F114-A161 HydrophobicContact CE1-CB 4.46Å; F114-A161 HydrophobicContact CG-CB 4.12Å; C115-A161 CarbonylContact O-C 3.57Å; C115-A161 VanDerWaalsContact O-CA 3.31Å; C115-A161 WeakPolarHBondContact O-CA 3.5Å; V157-A161 HydrophobicContact CG1-CB 4.05Å; A161-T169 HydrophobicContact CB-CG2 3.89Å; A161-V182 PolarHBondContact N-O 3.43Å; A161-I183 HydrophobicContact CB-CG1 4.15Å; A161-I183 WeakPolarHBondContact O-CA 3.5Å; A161-Q184 PolarHBondContact O-N 3.4Å
162	L	98.3	Very high	98.2	Very high	23 Å²	23	9.8 Å²	9.8	12%	0.12	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.6	-172.1	-49.6	177	0	0	0	111.3	C115 S116 G117 R160 G164 G165 A166 Q184	C115-L162 PolarHBondContact O-N 2.79Å; S116-L162 CarbonylContact C-O 3.41Å; G117-L162 PolarHBondContact N-O 3.17Å; R160-L162 HydrophobicContact CB-CD1 4.35Å; R160-L162 HydrophobicContact CB-CD2 4.29Å; R160-L162 HydrophobicContact CB-CG 4.08Å; L162-G164 PolarHBondContact O-N 2.99Å; L162-G165 WeakPolarHBondContact O-CA 3.33Å; L162-G165 PolarHBondContact O-N 3.13Å; L162-A166 PolarHBondContact O-N 3.08Å; L162-Q184 CarbonylContact C-O 3.6Å; L162-Q184 WeakPolarHBondContact CA-O 3.42Å; L162-Q184 HydrophobicContact CD2-CB 3.79Å
163	G	97.4	Very high	98.2	Very high	5 Å²	5	10.7 Å²	10.7	5%	0.052	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-122.2	171.7	0	0	0	0	0	111.4	G165 A166 E167 Q184	G163-G165 PolarHBondContact O-N 3.39Å; G163-A166 WeakPolarHBondContact O-CA 3.25Å; G163-A166 WeakPolarHBondContact O-CB 3.31Å; G163-A166 PolarHBondContact O-N 3.42Å; G163-E167 PolarHBondContact O-N 3.47Å; G163-Q184 PolarHBondContact N-O 3.38Å
164	G	97.4	Very high	98.2	Very high	5 Å²	5	13 Å²	13	5%	0.052	6%	0.063	C	C	.	.	H	α-helix	trans	-57.3	-30.8	173.3	0	0	0	0	0	113.7	L162 A166 E167 L168 W196	L162-G164 PolarHBondContact O-N 2.99Å; G164-A166 VanDerWaalsContact C-N 3.35Å; G164-E167 CarbonylContact O-C 3.48Å; G164-E167 WeakPolarHBondContact O-CA 3.19Å; G164-E167 WeakPolarHBondContact O-CB 3.15Å; G164-E167 PolarHBondContact O-N 3.35Å; G164-E167 VanDerWaalsContact O-N 3.1Å; G164-L168 PolarHBondContact O-N 2.84Å; G164-W196 VanDerWaalsContact CA-CE3 3.43Å; G164-W196 VanDerWaalsContact O-CZ3 3.23Å; G164-W196 WeakPolarHBondContact O-CZ3 3.38Å
165	G	98.2	Very high	98.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.4	-35.5	173	0	0	0	0	0	112.7	F114 C115 L162 G163 E167 L168 T169	F114-G165 WeakPolarHBondContact CE1-O 3.24Å; C115-G165 VanDerWaalsContact SG-CA 3.54Å; L162-G165 WeakPolarHBondContact O-CA 3.33Å; L162-G165 PolarHBondContact O-N 3.13Å; G163-G165 PolarHBondContact O-N 3.39Å; G165-E167 VanDerWaalsContact C-N 3.35Å; G165-L168 PolarHBondContact O-N 3Å; G165-T169 WeakPolarHBondContact O-CG2 3.32Å; G165-T169 PolarHBondContact O-N 2.92Å
166	A	98.7	Very high	98.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-68.7	-33.9	169.2	0	0	0	0	0	111.6	L162 G163 G164 T169 I183 F185	L162-A166 PolarHBondContact O-N 3.08Å; G163-A166 WeakPolarHBondContact O-CA 3.25Å; G163-A166 WeakPolarHBondContact O-CB 3.31Å; G163-A166 PolarHBondContact O-N 3.42Å; G164-A166 VanDerWaalsContact C-N 3.35Å; A166-T169 PolarHBondContact O-N 3.02Å; A166-T169 PolarHBondContact O-OG1 3.22Å; A166-I183 HydrophobicContact CB-CG2 3.75Å; A166-F185 HydrophobicContact CB-CD1 3.82Å; A166-F185 HydrophobicContact CB-CD2 4.4Å; A166-F185 HydrophobicContact CB-CE1 3.74Å; A166-F185 HydrophobicContact CB-CE2 4.32Å; A166-F185 HydrophobicContact CB-CG 4.16Å; A166-F185 HydrophobicContact CB-CZ 4Å
167	E	98.8	Very high	98.1	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-66.9	-36.1	173.7	-56.6	-166.8	81.9	0	0	112.2	G163 G164 G165 T169 T170 A171 F185 H187 P194 G195 W196 G197 G198	G163-E167 PolarHBondContact O-N 3.47Å; G164-E167 CarbonylContact O-C 3.48Å; G164-E167 WeakPolarHBondContact O-CA 3.19Å; G164-E167 WeakPolarHBondContact O-CB 3.15Å; G164-E167 PolarHBondContact O-N 3.35Å; G164-E167 VanDerWaalsContact O-N 3.1Å; G165-E167 VanDerWaalsContact C-N 3.35Å; E167-T169 VanDerWaalsContact C-N 3.32Å; E167-T169 PolarHBondContact O-N 3.15Å; E167-T170 PolarHBondContact O-N 3.05Å; E167-T170 VanDerWaalsContact O-N 3.17Å; E167-T170 PolarHBondContact O-OG1 3.43Å; E167-A171 PolarHBondContact O-N 3.04Å; E167-F185 HydrophobicContact CG-CD1 4.39Å; E167-F185 HydrophobicContact CG-CE1 4.24Å; E167-H187 IonicContact OE2-CE1 2.9Å; E167-H187 PolarHBondContact OE2-CE1 3.2Å; E167-H187 IonicContact OE2-NE2 2.76Å; E167-H187 PolarHBondContact OE2-NE2 3.33Å; E167-P194 HydrophobicContact CG-CB 4.2Å; E167-P194 WeakPolarHBondContact OE1-CB 3.33Å; E167-G195 PolarHBondContact OE1-N 3.3Å; E167-G195 PolarHBondContact OE2-N 3.4Å; E167-W196 HydrophobicContact CB-CB 3.97Å; E167-W196 HydrophobicContact CB-CE3 4.48Å; E167-W196 HydrophobicContact CG-CB 4.44Å; E167-W196 WeakPolarHBondContact OE1-CA 3.47Å; E167-W196 PolarHBondContact OE1-N 3.04Å; E167-W196 PolarHBondContact OE2-N 3.19Å; E167-G197 PolarHBondContact OE1-N 3.12Å; E167-G197 VanDerWaalsContact OE1-N 3.13Å; E167-G198 WeakPolarHBondContact OE1-CA 3.39Å; E167-G198 PolarHBondContact OE1-N 2.95Å
168	L	98.8	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.2	-39.3	175.3	174.5	61	0	0	0	111.9	I72 F81 V107 F114 L143 L146 G164 G165 T170 A171	I72-L168 HydrophobicContact CD1-CD2 4.28Å; I72-L168 HydrophobicContact CG1-CD2 4.02Å; F81-L168 HydrophobicContact CE2-CD2 4.11Å; F81-L168 HydrophobicContact CZ-CD2 4.37Å; V107-L168 HydrophobicContact CG1-CD2 4.24Å; V107-L168 HydrophobicContact CG1-CG 4.43Å; F114-L168 HydrophobicContact CE1-CB 4.21Å; F114-L168 HydrophobicContact CE1-CD2 3.85Å; F114-L168 HydrophobicContact CE1-CG 4Å; F114-L168 HydrophobicContact CZ-CD2 3.97Å; F114-L168 HydrophobicContact CZ-CG 4.06Å; L143-L168 HydrophobicContact CD2-CD1 3.49Å; L143-L168 VanDerWaalsContact CD2-CD1 3.49Å; L146-L168 HydrophobicContact CD1-CD1 4.29Å; G164-L168 PolarHBondContact O-N 2.84Å; G165-L168 PolarHBondContact O-N 3Å; L168-T170 PolarHBondContact O-N 3.08Å; L168-A171 WeakPolarHBondContact O-CB 3.39Å; L168-A171 PolarHBondContact O-N 3.45Å
169	T	98.8	Very high	98	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.6	-31.6	177.5	72.8	0	0	0	0	112.5	F114 A155 V157 A161 G165 A166 E167 A171 C172 R175 I183	F114-T169 HydrophobicContact CD1-CG2 3.91Å; F114-T169 HydrophobicContact CE1-CG2 3.46Å; F114-T169 VanDerWaalsContact CE1-CG2 3.46Å; F114-T169 HydrophobicContact CZ-CG2 3.86Å; A155-T169 HydrophobicContact CB-CG2 4.22Å; V157-T169 HydrophobicContact CG2-CG2 3.82Å; A161-T169 HydrophobicContact CB-CG2 3.89Å; G165-T169 WeakPolarHBondContact O-CG2 3.32Å; G165-T169 PolarHBondContact O-N 2.92Å; A166-T169 PolarHBondContact O-N 3.02Å; A166-T169 PolarHBondContact O-OG1 3.22Å; E167-T169 VanDerWaalsContact C-N 3.32Å; E167-T169 PolarHBondContact O-N 3.15Å; T169-A171 PolarHBondContact O-N 3.14Å; T169-C172 PolarHBondContact O-N 3.01Å; T169-R175 PolarHBondContact O-NH1 2.93Å; T169-I183 HydrophobicContact CG2-CD1 4.46Å
170	T	98.7	Very high	97.9	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.018	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-12.8	176	73.3	0	0	0	0	113.5	E167 L168 F185 R201 I205	E167-T170 PolarHBondContact O-N 3.05Å; E167-T170 VanDerWaalsContact O-N 3.17Å; E167-T170 PolarHBondContact O-OG1 3.43Å; L168-T170 PolarHBondContact O-N 3.08Å; T170-F185 HydrophobicContact CG2-CE1 4.31Å; T170-F185 HydrophobicContact CG2-CZ 3.87Å; T170-R201 VanDerWaalsContact O-CD 3.24Å; T170-R201 WeakPolarHBondContact O-CD 3.42Å; T170-I205 HydrophobicContact CG2-CD1 4.12Å
171	A	98.6	Very high	97.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-9.5	174.4	0	0	0	0	0	112.9	L143 L146 L147 E167 L168 T169	L143-A171 HydrophobicContact CB-CB 3.87Å; L143-A171 HydrophobicContact CD1-CB 4.42Å; L143-A171 HydrophobicContact CD2-CB 4.15Å; L143-A171 HydrophobicContact CG-CB 4.37Å; L146-A171 HydrophobicContact CD2-CB 4.14Å; L146-A171 WeakPolarHBondContact CD2-O 3.43Å; L147-A171 WeakPolarHBondContact CA-O 3.36Å; L147-A171 VanDerWaalsContact CB-O 3.31Å; L147-A171 WeakPolarHBondContact CB-O 3.47Å; L147-A171 VanDerWaalsContact CD1-O 3.25Å; L147-A171 WeakPolarHBondContact CD1-O 3.27Å; L147-A171 PolarHBondContact N-O 2.92Å; E167-A171 PolarHBondContact O-N 3.04Å; L168-A171 WeakPolarHBondContact O-CB 3.39Å; L168-A171 PolarHBondContact O-N 3.45Å; T169-A171 PolarHBondContact O-N 3.14Å
172	C	98.9	Very high	97.9	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.02	10%	0.102	C	C	.	.	S	Bend	trans	-90	158.1	171	-61	0	0	0	0	111	S153 A155 T169 R175	S153-C172 WeakPolarHBondContact OG-CA 3.31Å; A155-C172 HydrophobicContact CB-CB 4.01Å; T169-C172 PolarHBondContact O-N 3.01Å; C172-R175 PolarHBondContact O-NH1 3.15Å
173	D	98.8	Very high	98	Very high	34 Å²	34	13.6 Å²	13.6	18%	0.182	10%	0.096	C	C	.	.	S	Bend	trans	-67.7	-43.3	175.2	-62.1	-65.9	0	0	0	111.2	S153 R175 K271	S153-D173 PolarHBondContact N-OD2 3.42Å; S153-D173 WeakPolarHBondContact O-CA 3.38Å; S153-D173 VanDerWaalsContact O-CB 3.3Å; S153-D173 WeakPolarHBondContact O-CB 3.38Å; S153-D173 PolarHBondContact O-N 3.43Å; S153-D173 PolarHBondContact OG-N 2.75Å; S153-D173 PolarHBondContact OG-OD2 2.82Å; D173-R175 PolarHBondContact O-NH1 2.74Å; D173-R175 PolarHBondContact O-NH2 3Å; D173-K271 IonicContact OD1-NZ 3.79Å; D173-K271 PolarHBondContact OD1-NZ 3.2Å; D173-K271 IonicContact OD2-NZ 2.78Å; D173-K271 PolarHBondContact OD2-NZ 3.29Å
174	F	98.8	Very high	98	Very high	48 Å²	48	14.3 Å²	14.3	21%	0.211	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	160	-176	-56.6	-63.7	0	0	0	112.1	V152 S153 V154 A155 D233 W255 Y259	V152-F174 HydrophobicContact CG1-CD2 4.01Å; V152-F174 HydrophobicContact CG1-CE2 3.57Å; S153-F174 PolarHBondContact O-N 2.94Å; V154-F174 CarbonylContact C-O 3.52Å; V154-F174 WeakPolarHBondContact CA-O 3.42Å; V154-F174 HydrophobicContact CB-CB 4.19Å; V154-F174 HydrophobicContact CG2-CB 3.94Å; A155-F174 PolarHBondContact N-O 2.88Å; F174-D233 WeakPolarHBondContact CA-OD2 3.48Å; F174-D233 HydrophobicContact CB-CB 4.23Å; F174-D233 HydrophobicContact CD1-CB 4.16Å; F174-W255 HydrophobicContact CB-CH2 3.66Å; F174-W255 HydrophobicContact CB-CZ3 3.83Å; F174-W255 AromaticContact CD1-CH2 3.79Å; F174-W255 HydrophobicContact CD1-CH2 3.79Å; F174-W255 AromaticContact CD2-CH2 3.66Å; F174-W255 HydrophobicContact CD2-CH2 3.66Å; F174-W255 AromaticContact CD2-CZ3 3.59Å; F174-W255 HydrophobicContact CD2-CZ3 3.59Å; F174-W255 HydrophobicContact CE1-CH2 4.3Å; F174-W255 HydrophobicContact CE2-CH2 4.17Å; F174-W255 HydrophobicContact CE2-CZ3 4.24Å; F174-W255 AromaticContact CG-CH2 3.42Å; F174-W255 HydrophobicContact CG-CH2 3.42Å; F174-W255 VanDerWaalsContact CG-CH2 3.42Å; F174-W255 AromaticContact CG-CZ3 3.75Å; F174-W255 HydrophobicContact CG-CZ3 3.75Å; F174-W255 HydrophobicContact CZ-CH2 4.47Å; F174-Y259 HydrophobicContact CE2-CD2 4.33Å; F174-Y259 HydrophobicContact CE2-CG 4.38Å
175	R	98.8	Very high	98.1	Very high	9 Å²	9	14.3 Å²	14.3	3%	0.034	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.2	172.7	-71.1	130.2	-57.6	-86.7	-7.8	110.3	A155 T169 C172 D173 L231 D233	A155-R175 HydrophobicContact CB-CG 4.03Å; A155-R175 WeakPolarHBondContact O-CA 3.31Å; T169-R175 PolarHBondContact O-NH1 2.93Å; C172-R175 PolarHBondContact O-NH1 3.15Å; D173-R175 PolarHBondContact O-NH1 2.74Å; D173-R175 PolarHBondContact O-NH2 3Å; R175-L231 WeakPolarHBondContact CD-O 3.44Å; R175-L231 PolarHBondContact NE-O 3.11Å; R175-D233 IonicContact CZ-OD2 3.66Å; R175-D233 PolarHBondContact N-OD2 3.26Å; R175-D233 IonicContact NE-OD2 2.77Å; R175-D233 IonicContact NH2-OD1 3.37Å; R175-D233 IonicContact NH2-OD2 3.81Å; R175-D233 PolarHBondContact NH2-OD2 3.47Å; R175-D233 PolarHBondContact O-N 2.92Å
176	L	98.6	Very high	98	Very high	2 Å²	2	16 Å²	16	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.5	168.6	-64.6	178.1	0	0	0	109.1	V154 A155 V157 G234 L236 A252 W255	V154-L176 HydrophobicContact CG2-CB 4.3Å; V154-L176 HydrophobicContact CG2-CD1 3.89Å; V154-L176 HydrophobicContact CG2-CG 3.66Å; A155-L176 PolarHBondContact O-N 3.18Å; V157-L176 PolarHBondContact N-O 3.48Å; L176-G234 WeakPolarHBondContact CA-O 3.49Å; L176-L236 HydrophobicContact CB-CD2 4.1Å; L176-L236 HydrophobicContact CD1-CD2 4.25Å; L176-A252 HydrophobicContact CD1-CB 4.02Å; L176-W255 HydrophobicContact CD1-CB 3.81Å; L176-W255 HydrophobicContact CD1-CD2 3.83Å; L176-W255 HydrophobicContact CD1-CE3 4.1Å; L176-W255 HydrophobicContact CD1-CG 3.69Å; L176-W255 HydrophobicContact CD2-CD2 3.88Å; L176-W255 HydrophobicContact CD2-CG 4.02Å; L176-W255 HydrophobicContact CD2-CZ2 4.24Å; L176-W255 HydrophobicContact CG-CD2 4.25Å; L176-W255 HydrophobicContact CG-CG 4.43Å
177	M	98.3	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.4	-176.2	-68.9	-168.2	66.1	0	0	110	V157 S181 I183 P223 A232 G234 V235 L236	V157-M177 HydrophobicContact CB-CG 4.27Å; M177-S181 WeakPolarHBondContact CB-OG 3.36Å; M177-S181 VanDerWaalsContact CE-OG 3.31Å; M177-S181 WeakPolarHBondContact CE-OG 3.28Å; M177-I183 HydrophobicContact CE-CD1 4.28Å; M177-I183 HydrophobicContact CE-CG1 3.97Å; M177-I183 HydrophobicContact CG-CD1 4.41Å; M177-I183 HydrophobicContact SD-CD1 3.82Å; M177-I183 HydrophobicContact SD-CG1 4.19Å; M177-P223 HydrophobicContact CB-CB 3.94Å; M177-P223 HydrophobicContact CB-CG 4.02Å; M177-P223 HydrophobicContact CE-CG 4.23Å; M177-A232 HydrophobicContact CG-CB 4.05Å; M177-A232 HydrophobicContact SD-CB 3.8Å; M177-G234 PolarHBondContact N-O 2.85Å; M177-V235 CarbonylContact O-C 3.53Å; M177-V235 WeakPolarHBondContact O-CA 3.13Å; M177-V235 WeakPolarHBondContact O-CG1 3.37Å; M177-L236 PolarHBondContact O-N 2.93Å
178	A	96.1	Very high	97.7	Very high	11 Å²	11	23 Å²	23	9%	0.091	14%	0.137	C	C	.	.			trans	-75.7	156.3	169.9	0	0	0	0	0	110.6	V157 E158 G180 S181 P223 L236	V157-A178 PolarHBondContact O-N 2.82Å; E158-A178 HydrophobicContact CB-CB 4.47Å; A178-G180 PolarHBondContact O-N 3.34Å; A178-S181 PolarHBondContact N-OG 2.95Å; A178-S181 WeakPolarHBondContact O-CB 3.47Å; A178-S181 PolarHBondContact O-N 3.18Å; A178-S181 PolarHBondContact O-OG 2.9Å; A178-P223 WeakPolarHBondContact O-CG 3.18Å; A178-L236 HydrophobicContact CB-CD1 3.9Å
179	P	94.6	Very high	97.5	Very high	68 Å²	68	29.2 Å²	29.2	44%	0.442	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	134.4	168.3	-27	36	0	0	0	111.7	S181 L236 A238	P179-S181 PolarHBondContact O-N 3.06Å; P179-L236 WeakPolarHBondContact CD-O 3.27Å; P179-A238 HydrophobicContact CG-CB 4.08Å
180	G	93.8	Very high	97	Very high	74 Å²	74	34 Å²	34	76%	0.763	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	-5.2	-178.5	0	0	0	0	0	116	A178	A178-G180 PolarHBondContact O-N 3.34Å
181	S	97.8	Very high	96.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.225	C	C	.	.			trans	-68.6	157.3	174.2	71	0	0	0	0	112.4	V157 G159 M177 A178 P179 P223	V157-S181 WeakPolarHBondContact O-CB 3.42Å; V157-S181 PolarHBondContact O-OG 3.45Å; G159-S181 WeakPolarHBondContact O-CA 3.09Å; G159-S181 WeakPolarHBondContact O-CB 3.31Å; M177-S181 WeakPolarHBondContact CB-OG 3.36Å; M177-S181 VanDerWaalsContact CE-OG 3.31Å; M177-S181 WeakPolarHBondContact CE-OG 3.28Å; A178-S181 PolarHBondContact N-OG 2.95Å; A178-S181 WeakPolarHBondContact O-CB 3.47Å; A178-S181 PolarHBondContact O-N 3.18Å; A178-S181 PolarHBondContact O-OG 2.9Å; P179-S181 PolarHBondContact O-N 3.06Å; S181-P223 WeakPolarHBondContact O-CD 3.33Å
182	V	98.5	Very high	96.4	Very high	23 Å²	23	42 Å²	42	14%	0.139	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	129.8	-176.4	176.2	0	0	0	0	110.9	G159 A161 Q184 K220 V221	G159-V182 PolarHBondContact O-N 3.01Å; A161-V182 PolarHBondContact N-O 3.43Å; V182-Q184 HydrophobicContact CG1-CB 4.21Å; V182-K220 HydrophobicContact CG1-CB 3.98Å; V182-K220 HydrophobicContact CG1-CG 4.15Å; V182-V221 WeakPolarHBondContact CA-O 3.26Å
183	I	98.8	Very high	96.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.4	164	-55.8	174.7	0	0	0	108.8	V157 A161 A166 T169 M177 F185 V221 L231	V157-I183 HydrophobicContact CG1-CG1 4.09Å; V157-I183 HydrophobicContact CG2-CD1 4.24Å; V157-I183 HydrophobicContact CG2-CG1 4.45Å; A161-I183 HydrophobicContact CB-CG1 4.15Å; A161-I183 WeakPolarHBondContact O-CA 3.5Å; A166-I183 HydrophobicContact CB-CG2 3.75Å; T169-I183 HydrophobicContact CG2-CD1 4.46Å; M177-I183 HydrophobicContact CE-CD1 4.28Å; M177-I183 HydrophobicContact CE-CG1 3.97Å; M177-I183 HydrophobicContact CG-CD1 4.41Å; M177-I183 HydrophobicContact SD-CD1 3.82Å; M177-I183 HydrophobicContact SD-CG1 4.19Å; I183-F185 HydrophobicContact CG2-CE2 4.34Å; I183-V221 PolarHBondContact N-O 3.19Å; I183-V221 WeakPolarHBondContact O-CB 3.22Å; I183-V221 PolarHBondContact O-N 3.49Å; I183-L231 HydrophobicContact CB-CD2 4.16Å; I183-L231 HydrophobicContact CD1-CD2 4.18Å; I183-L231 HydrophobicContact CD1-CG 4.25Å; I183-L231 HydrophobicContact CG2-CD2 4Å
184	Q	98.7	Very high	96.1	Very high	20 Å²	20	47 Å²	47	9%	0.093	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	125.1	-179.2	-167.1	-175.6	7.4	0	0	112.9	A161 L162 G163 V182 V186 A218 K220	A161-Q184 PolarHBondContact O-N 3.4Å; L162-Q184 CarbonylContact C-O 3.6Å; L162-Q184 WeakPolarHBondContact CA-O 3.42Å; L162-Q184 HydrophobicContact CD2-CB 3.79Å; G163-Q184 PolarHBondContact N-O 3.38Å; V182-Q184 HydrophobicContact CG1-CB 4.21Å; Q184-V186 HydrophobicContact CB-CG1 4.21Å; Q184-V186 HydrophobicContact CG-CG1 3.68Å; Q184-V186 PolarHBondContact O-N 3.07Å; Q184-A218 WeakPolarHBondContact CG-O 3.46Å; Q184-A218 PolarHBondContact NE2-O 3.26Å; Q184-K220 HydrophobicContact CG-CG 4.24Å
185	F	98.4	Very high	96	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.018	28%	0.28	C	S	.	.			trans	-88.3	98.4	174.4	-61.3	-89.7	0	0	0	110.3	A166 E167 T170 I183 L202 L215 A218	A166-F185 HydrophobicContact CB-CD1 3.82Å; A166-F185 HydrophobicContact CB-CD2 4.4Å; A166-F185 HydrophobicContact CB-CE1 3.74Å; A166-F185 HydrophobicContact CB-CE2 4.32Å; A166-F185 HydrophobicContact CB-CG 4.16Å; A166-F185 HydrophobicContact CB-CZ 4Å; E167-F185 HydrophobicContact CG-CD1 4.39Å; E167-F185 HydrophobicContact CG-CE1 4.24Å; T170-F185 HydrophobicContact CG2-CE1 4.31Å; T170-F185 HydrophobicContact CG2-CZ 3.87Å; I183-F185 HydrophobicContact CG2-CE2 4.34Å; F185-L202 HydrophobicContact CD2-CD2 4.07Å; F185-L202 HydrophobicContact CE2-CD1 3.98Å; F185-L202 HydrophobicContact CE2-CD2 3.66Å; F185-L202 HydrophobicContact CE2-CG 4.42Å; F185-L202 HydrophobicContact CZ-CD1 4.08Å; F185-L202 HydrophobicContact CZ-CD2 3.94Å; F185-L202 HydrophobicContact CZ-CG 4.45Å; F185-L215 HydrophobicContact CB-CD2 3.49Å; F185-L215 VanDerWaalsContact CB-CD2 3.49Å; F185-L215 HydrophobicContact CD1-CD2 3.77Å; F185-L215 HydrophobicContact CD2-CD2 4.04Å; F185-L215 HydrophobicContact CG-CD2 3.49Å; F185-L215 VanDerWaalsContact CG-CD2 3.49Å; F185-A218 WeakPolarHBondContact O-CA 3.42Å; F185-A218 WeakPolarHBondContact O-CB 3.23Å
186	V	97.3	Very high	95.9	Very high	35 Å²	35	45.3 Å²	45.3	21%	0.212	28%	0.28	C	S	.	.			trans	-95.2	3.3	-170.1	-61.2	0	0	0	0	115.4	Q184 K188 H189	Q184-V186 HydrophobicContact CB-CG1 4.21Å; Q184-V186 HydrophobicContact CG-CG1 3.68Å; Q184-V186 PolarHBondContact O-N 3.07Å; V186-K188 PolarHBondContact O-N 2.86Å; V186-K188 VanDerWaalsContact O-N 3.1Å; V186-H189 WeakPolarHBondContact O-CB 3.27Å; V186-H189 PolarHBondContact O-N 2.9Å
187	H	96.3	Very high	95.8	Very high	18 Å²	18	45.9 Å²	45.9	8%	0.083	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-52.7	-36.9	-172.4	-58.6	92.9	0	0	0	114.2	E167 H189 I190 G191 L192	E167-H187 IonicContact OE2-CE1 2.9Å; E167-H187 PolarHBondContact OE2-CE1 3.2Å; E167-H187 IonicContact OE2-NE2 2.76Å; E167-H187 PolarHBondContact OE2-NE2 3.33Å; H187-H189 PolarHBondContact O-N 3.36Å; H187-I190 CarbonylContact O-C 3.21Å; H187-I190 WeakPolarHBondContact O-CG1 3.38Å; H187-I190 PolarHBondContact O-N 2.93Å; H187-G191 PolarHBondContact O-N 2.97Å; H187-L192 CarbonylContact C-O 3.59Å; H187-L192 HydrophobicContact CB-CB 4.28Å; H187-L192 VanDerWaalsContact CB-O 3.23Å; H187-L192 WeakPolarHBondContact CB-O 2.98Å; H187-L192 PolarHBondContact O-N 3.47Å; H187-L192 VanDerWaalsContact O-O 3.08Å
188	K	95.3	Very high	95.7	Very high	130 Å²	130	45.9 Å²	45.9	57%	0.565	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-56.1	-37.4	177.6	179.4	-176.9	179.3	-173.3	0	112.6	V186 I190 G191 L192 G216	V186-K188 PolarHBondContact O-N 2.86Å; V186-K188 VanDerWaalsContact O-N 3.1Å; K188-I190 PolarHBondContact O-N 3.45Å; K188-G191 PolarHBondContact O-N 3.16Å; K188-L192 PolarHBondContact N-O 2.93Å; K188-G216 WeakPolarHBondContact CD-O 3.4Å; K188-G216 WeakPolarHBondContact CE-O 3.38Å; K188-G216 PolarHBondContact NZ-O 2.65Å
189	H	93.4	Very high	95.8	Very high	131 Å²	131	46.9 Å²	46.9	61%	0.606	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-67.7	-18.3	-178.6	-60.7	-44.4	0	0	0	113.1	V186 H187 A218	V186-H189 WeakPolarHBondContact O-CB 3.27Å; V186-H189 PolarHBondContact O-N 2.9Å; H187-H189 PolarHBondContact O-N 3.36Å; H189-A218 VanDerWaalsContact NE2-CB 3.28Å; H189-A218 WeakPolarHBondContact NE2-CB 3.47Å
190	I	89.3	Confident	95.9	Very high	102 Å²	102	47.1 Å²	47.1	52%	0.523	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-111.7	17.1	177.6	61.5	172	0	0	0	112.2	H187 K188 L192	H187-I190 CarbonylContact O-C 3.21Å; H187-I190 WeakPolarHBondContact O-CG1 3.38Å; H187-I190 PolarHBondContact O-N 2.93Å; K188-I190 PolarHBondContact O-N 3.45Å; I190-L192 VanDerWaalsContact C-N 3.32Å; I190-L192 HydrophobicContact CD1-CD1 3.91Å; I190-L192 HydrophobicContact CG1-CB 4.27Å; I190-L192 HydrophobicContact CG1-CD1 4.24Å; I190-L192 HydrophobicContact CG1-CG 4.35Å; I190-L192 PolarHBondContact O-N 3.35Å
191	G	91.1	Very high	96.1	Very high	72 Å²	72	44.8 Å²	44.8	74%	0.742	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	23.7	176.9	0	0	0	0	0	114.5	H187 K188	H187-G191 PolarHBondContact O-N 2.97Å; K188-G191 PolarHBondContact O-N 3.16Å
192	L	92.3	Very high	96.1	Very high	99 Å²	99	44.8 Å²	44.8	52%	0.518	27%	0.27	S	S	.	.			trans	-122.9	163.8	-178.6	-66.1	176.5	0	0	0	112.1	H187 K188 I190	H187-L192 CarbonylContact C-O 3.59Å; H187-L192 HydrophobicContact CB-CB 4.28Å; H187-L192 VanDerWaalsContact CB-O 3.23Å; H187-L192 WeakPolarHBondContact CB-O 2.98Å; H187-L192 PolarHBondContact O-N 3.47Å; H187-L192 VanDerWaalsContact O-O 3.08Å; K188-L192 PolarHBondContact N-O 2.93Å; I190-L192 VanDerWaalsContact C-N 3.32Å; I190-L192 HydrophobicContact CD1-CD1 3.91Å; I190-L192 HydrophobicContact CG1-CB 4.27Å; I190-L192 HydrophobicContact CG1-CD1 4.24Å; I190-L192 HydrophobicContact CG1-CG 4.35Å; I190-L192 PolarHBondContact O-N 3.35Å
193	V	95.8	Very high	96.1	Very high	118 Å²	118	46.8 Å²	46.8	72%	0.715	28%	0.282	S	S	*	.			trans	-99.4	164	161.8	-62.6	0	0	0	0	109.4	G195	V193-G195 PolarHBondContact O-N 2.75Å
194	P	96.9	Very high	96	Very high	22 Å²	22	55.2 Å²	55.2	14%	0.143	31%	0.314	C	S	.	.			trans	-54.9	130.5	172.7	-23.8	34.3	0	0	0	111.6	E167 A199 L215	E167-P194 HydrophobicContact CG-CB 4.2Å; E167-P194 WeakPolarHBondContact OE1-CB 3.33Å; P194-A199 HydrophobicContact CB-CB 4.11Å; P194-A199 HydrophobicContact CG-CB 4.02Å; P194-L215 HydrophobicContact CG-CD1 4.33Å; P194-L215 HydrophobicContact CG-CD2 3.59Å
195	G	95.1	Very high	96	Very high	18 Å²	18	56.6 Å²	56.6	19%	0.186	32%	0.321	C	S	.	.			trans	-107.4	-23.4	-170.6	0	0	0	0	0	113.8	C136 Q140 E167 V193 G197	C136-G195 PolarHBondContact SG-O 3.16Å; Q140-G195 WeakPolarHBondContact CG-O 3.4Å; Q140-G195 PolarHBondContact NE2-O 3.03Å; E167-G195 PolarHBondContact OE1-N 3.3Å; E167-G195 PolarHBondContact OE2-N 3.4Å; V193-G195 PolarHBondContact O-N 2.75Å; G195-G197 VanDerWaalsContact C-N 3.29Å; G195-G197 PolarHBondContact O-N 2.78Å
196	W	97.1	Very high	96	Very high	5 Å²	5	57 Å²	57	2%	0.019	32%	0.324	C	S	.	.	S	Bend	trans	-92	12.5	-175.9	-56.3	-8.2	0	0	0	113.5	F81 M86 S118 M135 M139 L143 G164 E167 R201	F81-W196 HydrophobicContact CB-CH2 3.99Å; F81-W196 AromaticContact CD2-CH2 3.87Å; F81-W196 HydrophobicContact CD2-CH2 3.87Å; F81-W196 HydrophobicContact CD2-CZ3 4.18Å; F81-W196 AromaticContact CG-CH2 3.98Å; F81-W196 HydrophobicContact CG-CH2 3.98Å; M86-W196 HydrophobicContact CE-CZ2 3.76Å; S118-W196 VanDerWaalsContact OG-CZ2 3.22Å; S118-W196 WeakPolarHBondContact OG-CZ2 3.4Å; M135-W196 PolarHBondContact SD-NE1 3.36Å; M139-W196 HydrophobicContact CB-CB 4.08Å; M139-W196 VanDerWaalsContact CB-CD1 3.44Å; M139-W196 HydrophobicContact CB-CD2 4.08Å; M139-W196 HydrophobicContact CB-CG 3.63Å; M139-W196 HydrophobicContact CE-CD2 3.8Å; M139-W196 HydrophobicContact CE-CE3 3.7Å; M139-W196 HydrophobicContact CE-CG 4.49Å; M139-W196 HydrophobicContact CE-CH2 3.89Å; M139-W196 HydrophobicContact CE-CZ2 3.97Å; M139-W196 HydrophobicContact CE-CZ3 3.74Å; M139-W196 HydrophobicContact CG-CD2 4.21Å; M139-W196 HydrophobicContact CG-CG 4.22Å; M139-W196 HydrophobicContact CG-CZ2 4.38Å; L143-W196 HydrophobicContact CD1-CB 3.73Å; L143-W196 HydrophobicContact CD1-CE3 4.13Å; G164-W196 VanDerWaalsContact CA-CE3 3.43Å; G164-W196 VanDerWaalsContact O-CZ3 3.23Å; G164-W196 WeakPolarHBondContact O-CZ3 3.38Å; E167-W196 HydrophobicContact CB-CB 3.97Å; E167-W196 HydrophobicContact CB-CE3 4.48Å; E167-W196 HydrophobicContact CG-CB 4.44Å; E167-W196 WeakPolarHBondContact OE1-CA 3.47Å; E167-W196 PolarHBondContact OE1-N 3.04Å; E167-W196 PolarHBondContact OE2-N 3.19Å; W196-R201 PolarHBondContact O-NH1 2.98Å
197	G	96.8	Very high	96.1	Very high	14 Å²	14	57 Å²	57	14%	0.144	33%	0.331	C	S	.	.	S	Bend	trans	91.5	6.3	177.4	0	0	0	0	0	114.2	E167 G195 A199 A200 R201	E167-G197 PolarHBondContact OE1-N 3.12Å; E167-G197 VanDerWaalsContact OE1-N 3.13Å; G195-G197 VanDerWaalsContact C-N 3.29Å; G195-G197 PolarHBondContact O-N 2.78Å; G197-A199 VanDerWaalsContact C-N 3.33Å; G197-A199 PolarHBondContact O-N 3.49Å; G197-A200 PolarHBondContact O-N 3.25Å; G197-R201 PolarHBondContact O-N 2.95Å
198	G	96.6	Very high	96.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-63.2	-33.4	-177.4	0	0	0	0	0	113.5	E167 A200 R201 L202	E167-G198 WeakPolarHBondContact OE1-CA 3.39Å; E167-G198 PolarHBondContact OE1-N 2.95Å; G198-A200 PolarHBondContact O-N 3.36Å; G198-R201 PolarHBondContact O-N 2.8Å; G198-L202 WeakPolarHBondContact O-CB 3.47Å; G198-L202 PolarHBondContact O-N 2.98Å
199	A	97.6	Very high	96.3	Very high	32 Å²	32	60.9 Å²	60.9	26%	0.264	36%	0.36	S	S	.	.	H	α-helix	trans	-60.8	-47.2	176.2	0	0	0	0	0	112.4	P194 G197 L202 V203 L215	P194-A199 HydrophobicContact CB-CB 4.11Å; P194-A199 HydrophobicContact CG-CB 4.02Å; G197-A199 VanDerWaalsContact C-N 3.33Å; G197-A199 PolarHBondContact O-N 3.49Å; A199-L202 PolarHBondContact O-N 3.45Å; A199-V203 WeakPolarHBondContact O-CG2 3.27Å; A199-V203 PolarHBondContact O-N 2.64Å; A199-V203 VanDerWaalsContact O-N 3.16Å; A199-L215 HydrophobicContact CB-CD1 3.73Å
200	A	97.2	Very high	96.5	Very high	72 Å²	72	57 Å²	57	60%	0.595	34%	0.344	S	S	*	.	H	α-helix	trans	-65.6	-41.4	-179.6	0	0	0	0	0	111.9	G197 G198	G197-A200 PolarHBondContact O-N 3.25Å; G198-A200 PolarHBondContact O-N 3.36Å
201	R	98.1	Very high	97	Very high	25 Å²	25	52.2 Å²	52.2	9%	0.094	32%	0.32	C	S	.	.	H	α-helix	trans	-68.5	-41.2	176.5	-62.8	-177.6	-165.3	107.9	4.5	111.4	T144 T170 W196 G197 G198 V203 R204 I205	T144-R201 PolarHBondContact OG1-NH2 2.99Å; T170-R201 VanDerWaalsContact O-CD 3.24Å; T170-R201 WeakPolarHBondContact O-CD 3.42Å; W196-R201 PolarHBondContact O-NH1 2.98Å; G197-R201 PolarHBondContact O-N 2.95Å; G198-R201 PolarHBondContact O-N 2.8Å; R201-V203 VanDerWaalsContact C-N 3.33Å; R201-V203 PolarHBondContact O-N 3.5Å; R201-R204 WeakPolarHBondContact O-CB 3.38Å; R201-R204 PolarHBondContact O-N 3.26Å; R201-I205 WeakPolarHBondContact O-CG1 3.22Å; R201-I205 PolarHBondContact O-N 3.19Å; R201-I205 VanDerWaalsContact O-N 3.12Å
202	L	98.3	Very high	97.3	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-40.4	179.4	-174.4	65.4	0	0	0	112.1	F185 G198 A199 R204 I205 V206 A211 L214 L215 L231	F185-L202 HydrophobicContact CD2-CD2 4.07Å; F185-L202 HydrophobicContact CE2-CD1 3.98Å; F185-L202 HydrophobicContact CE2-CD2 3.66Å; F185-L202 HydrophobicContact CE2-CG 4.42Å; F185-L202 HydrophobicContact CZ-CD1 4.08Å; F185-L202 HydrophobicContact CZ-CD2 3.94Å; F185-L202 HydrophobicContact CZ-CG 4.45Å; G198-L202 WeakPolarHBondContact O-CB 3.47Å; G198-L202 PolarHBondContact O-N 2.98Å; A199-L202 PolarHBondContact O-N 3.45Å; L202-R204 PolarHBondContact O-N 2.99Å; L202-I205 PolarHBondContact O-N 3.05Å; L202-V206 HydrophobicContact CD1-CG1 4.11Å; L202-V206 HydrophobicContact CD1-CG2 3.77Å; L202-V206 HydrophobicContact CG-CG2 3.86Å; L202-V206 WeakPolarHBondContact O-CG2 3.35Å; L202-V206 PolarHBondContact O-N 3.26Å; L202-A211 HydrophobicContact CB-CB 4.48Å; L202-A211 HydrophobicContact CD2-CB 4.05Å; L202-A211 HydrophobicContact CG-CB 3.95Å; L202-L214 HydrophobicContact CD1-CD1 4.24Å; L202-L214 HydrophobicContact CD2-CB 4.28Å; L202-L214 HydrophobicContact CD2-CD1 4.33Å; L202-L215 HydrophobicContact CD2-CD1 4.31Å; L202-L215 HydrophobicContact CD2-CD2 3.89Å; L202-L215 HydrophobicContact CD2-CG 3.88Å; L202-L231 HydrophobicContact CD1-CD1 3.8Å
203	V	98.3	Very high	97.6	Very high	66 Å²	66	56.1 Å²	56.1	40%	0.4	32%	0.318	S	S	.	.	H	α-helix	trans	-58.2	-37.4	174.8	171.2	0	0	0	0	111.8	A199 R201 I205 G207 A211	A199-V203 WeakPolarHBondContact O-CG2 3.27Å; A199-V203 PolarHBondContact O-N 2.64Å; A199-V203 VanDerWaalsContact O-N 3.16Å; R201-V203 VanDerWaalsContact C-N 3.33Å; R201-V203 PolarHBondContact O-N 3.5Å; V203-I205 VanDerWaalsContact C-N 3.35Å; V203-G207 CarbonylContact O-C 3.58Å; V203-G207 WeakPolarHBondContact O-CA 3.3Å; V203-G207 PolarHBondContact O-N 3.35Å; V203-A211 HydrophobicContact CB-CB 4.49Å; V203-A211 HydrophobicContact CG2-CB 3.72Å
204	R	96.9	Very high	97.7	Very high	177 Å²	177	50.6 Å²	50.6	67%	0.668	28%	0.284	S	S	*	.	H	α-helix	trans	-72.3	-27.9	176.7	-66	-78.3	-172.5	143.1	5.1	112.7	R201 L202 R278	R201-R204 WeakPolarHBondContact O-CB 3.38Å; R201-R204 PolarHBondContact O-N 3.26Å; L202-R204 PolarHBondContact O-N 2.99Å; R204-R278 PolarHBondContact NH1-O 2.81Å
205	I	98.3	Very high	97.8	Very high	49 Å²	49	51.2 Å²	51.2	25%	0.251	29%	0.286	S	S	.	.	H	α-helix	trans	-83.5	-53.9	-177.3	-64.2	165.4	0	0	0	110.9	T170 R201 L202 V203 G230 L231	T170-I205 HydrophobicContact CG2-CD1 4.12Å; R201-I205 WeakPolarHBondContact O-CG1 3.22Å; R201-I205 PolarHBondContact O-N 3.19Å; R201-I205 VanDerWaalsContact O-N 3.12Å; L202-I205 PolarHBondContact O-N 3.05Å; V203-I205 VanDerWaalsContact C-N 3.35Å; I205-G230 VanDerWaalsContact CG2-O 3.25Å; I205-G230 WeakPolarHBondContact CG2-O 3.28Å; I205-L231 HydrophobicContact CG2-CD1 4.23Å
206	V	98.5	Very high	97.9	Very high	13 Å²	13	52 Å²	52	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-110.8	-0.2	-170.8	-54.9	0	0	0	0	114.2	L202 N210 A211 L214 V229 L231	L202-V206 HydrophobicContact CD1-CG1 4.11Å; L202-V206 HydrophobicContact CD1-CG2 3.77Å; L202-V206 HydrophobicContact CG-CG2 3.86Å; L202-V206 WeakPolarHBondContact O-CG2 3.35Å; L202-V206 PolarHBondContact O-N 3.26Å; V206-N210 HydrophobicContact CB-CB 3.9Å; V206-N210 HydrophobicContact CG2-CB 3.68Å; V206-N210 WeakPolarHBondContact O-CB 3.48Å; V206-N210 PolarHBondContact O-ND2 2.81Å; V206-A211 HydrophobicContact CG2-CB 4.16Å; V206-L214 HydrophobicContact CG2-CD1 4.25Å; V206-V229 WeakPolarHBondContact CB-O 3.45Å; V206-V229 HydrophobicContact CG1-CG2 4.24Å; V206-V229 VanDerWaalsContact CG1-O 3.31Å; V206-V229 WeakPolarHBondContact CG1-O 3.46Å; V206-L231 HydrophobicContact CG1-CB 3.9Å; V206-L231 HydrophobicContact CG1-CD1 4.35Å
207	G	98.4	Very high	97.9	Very high	35 Å²	35	54 Å²	54	36%	0.361	32%	0.316	S	S	.	.			trans	80.8	159.4	-171.8	0	0	0	0	0	113.5	V203 Q209 N210 A211	V203-G207 CarbonylContact O-C 3.58Å; V203-G207 WeakPolarHBondContact O-CA 3.3Å; V203-G207 PolarHBondContact O-N 3.35Å; G207-Q209 PolarHBondContact O-N 2.87Å; G207-N210 PolarHBondContact O-N 2.88Å; G207-A211 VanDerWaalsContact O-CB 3.3Å; G207-A211 WeakPolarHBondContact O-CB 3.23Å; G207-A211 PolarHBondContact O-N 3.37Å
208	S	98.1	Very high	98	Very high	82 Å²	82	53.5 Å²	53.5	57%	0.573	31%	0.31	S	S	*	.	H	α-helix	trans	-62.4	-38.3	-172.8	58	0	0	0	0	113.7	L212	S208-L212 WeakPolarHBondContact O-CB 3.42Å; S208-L212 PolarHBondContact O-N 2.98Å
209	Q	98.3	Very high	98	Very high	146 Å²	146	55.3 Å²	55.3	68%	0.682	32%	0.321	S	S	*	.	H	α-helix	trans	-67.9	-47	-178.9	-67.3	-174.4	-3.4	0	0	112.3	G207 L212 K213	G207-Q209 PolarHBondContact O-N 2.87Å; Q209-L212 PolarHBondContact O-N 3.1Å; Q209-K213 WeakPolarHBondContact O-CG 3.32Å; Q209-K213 PolarHBondContact O-N 2.83Å; Q209-K213 VanDerWaalsContact O-N 3.07Å
210	N	98.4	Very high	98.1	Very high	50 Å²	50	59.7 Å²	59.7	27%	0.267	33%	0.334	S	S	.	.	H	α-helix	trans	-67.5	-40.3	176.5	-72.3	-31	0	0	0	110.6	V206 G207 L212 K213 L214	V206-N210 HydrophobicContact CB-CB 3.9Å; V206-N210 HydrophobicContact CG2-CB 3.68Å; V206-N210 WeakPolarHBondContact O-CB 3.48Å; V206-N210 PolarHBondContact O-ND2 2.81Å; G207-N210 PolarHBondContact O-N 2.88Å; N210-L212 VanDerWaalsContact C-N 3.31Å; N210-L212 PolarHBondContact O-N 2.7Å; N210-K213 PolarHBondContact O-N 2.77Å; N210-K213 VanDerWaalsContact O-N 3.16Å; N210-L214 WeakPolarHBondContact O-CB 3.33Å; N210-L214 VanDerWaalsContact O-CG 3.27Å; N210-L214 WeakPolarHBondContact O-CG 3.46Å; N210-L214 PolarHBondContact O-N 3.34Å
211	A	98.6	Very high	98.1	Very high	2 Å²	2	56.3 Å²	56.3	2%	0.017	31%	0.307	C	S	.	.	H	α-helix	trans	-56.4	-45.7	174.5	0	0	0	0	0	111.4	L202 V203 V206 G207 K213 L214 L215	L202-A211 HydrophobicContact CB-CB 4.48Å; L202-A211 HydrophobicContact CD2-CB 4.05Å; L202-A211 HydrophobicContact CG-CB 3.95Å; V203-A211 HydrophobicContact CB-CB 4.49Å; V203-A211 HydrophobicContact CG2-CB 3.72Å; V206-A211 HydrophobicContact CG2-CB 4.16Å; G207-A211 VanDerWaalsContact O-CB 3.3Å; G207-A211 WeakPolarHBondContact O-CB 3.23Å; G207-A211 PolarHBondContact O-N 3.37Å; A211-K213 PolarHBondContact O-N 3.15Å; A211-L214 PolarHBondContact O-N 2.9Å; A211-L215 WeakPolarHBondContact O-CB 3.45Å; A211-L215 VanDerWaalsContact O-CG 3.22Å; A211-L215 WeakPolarHBondContact O-CG 3.08Å; A211-L215 PolarHBondContact O-N 3.27Å
212	L	98.4	Very high	98.1	Very high	129 Å²	129	58.5 Å²	58.5	68%	0.675	32%	0.32	S	S	*	.	H	α-helix	trans	-62.1	-42	176.9	-176.9	60.7	0	0	0	112.4	S208 Q209 N210 G216	S208-L212 WeakPolarHBondContact O-CB 3.42Å; S208-L212 PolarHBondContact O-N 2.98Å; Q209-L212 PolarHBondContact O-N 3.1Å; N210-L212 VanDerWaalsContact C-N 3.31Å; N210-L212 PolarHBondContact O-N 2.7Å; L212-G216 WeakPolarHBondContact O-CA 3.36Å; L212-G216 PolarHBondContact O-N 3.39Å
213	K	98.3	Very high	98.2	Very high	123 Å²	123	59.1 Å²	59.1	54%	0.535	32%	0.324	S	S	.	.	H	α-helix	trans	-62.4	-47.1	175.6	-69.9	171	-175.1	172.9	0	111.6	Q209 N210 A211 G217	Q209-K213 WeakPolarHBondContact O-CG 3.32Å; Q209-K213 PolarHBondContact O-N 2.83Å; Q209-K213 VanDerWaalsContact O-N 3.07Å; N210-K213 PolarHBondContact O-N 2.77Å; N210-K213 VanDerWaalsContact O-N 3.16Å; A211-K213 PolarHBondContact O-N 3.15Å; K213-G217 WeakPolarHBondContact O-CA 3.43Å; K213-G217 PolarHBondContact O-N 2.96Å
214	L	98.5	Very high	98.1	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-66	-45.7	-177.8	-67	-179.5	0	0	0	111.8	L202 V206 N210 A211 A218 V219 V221	L202-L214 HydrophobicContact CD1-CD1 4.24Å; L202-L214 HydrophobicContact CD2-CB 4.28Å; L202-L214 HydrophobicContact CD2-CD1 4.33Å; V206-L214 HydrophobicContact CG2-CD1 4.25Å; N210-L214 WeakPolarHBondContact O-CB 3.33Å; N210-L214 VanDerWaalsContact O-CG 3.27Å; N210-L214 WeakPolarHBondContact O-CG 3.46Å; N210-L214 PolarHBondContact O-N 3.34Å; A211-L214 PolarHBondContact O-N 2.9Å; L214-A218 VanDerWaalsContact O-CA 3.23Å; L214-A218 WeakPolarHBondContact O-CA 3.49Å; L214-A218 PolarHBondContact O-N 3.19Å; L214-V219 HydrophobicContact CD2-CB 4Å; L214-V219 HydrophobicContact CD2-CG1 4.34Å; L214-V219 PolarHBondContact O-N 2.95Å; L214-V221 HydrophobicContact CD1-CG2 4.35Å; L214-V221 HydrophobicContact CD2-CG2 3.44Å; L214-V221 VanDerWaalsContact CD2-CG2 3.44Å
215	L	98.4	Very high	98.2	Very high	35 Å²	35	60 Å²	60	18%	0.183	33%	0.327	C	S	.	.	H	α-helix	trans	-74.9	-48	-179.5	-62.5	178.2	0	0	0	112.2	F185 P194 A199 L202 A211 A218	F185-L215 HydrophobicContact CB-CD2 3.49Å; F185-L215 VanDerWaalsContact CB-CD2 3.49Å; F185-L215 HydrophobicContact CD1-CD2 3.77Å; F185-L215 HydrophobicContact CD2-CD2 4.04Å; F185-L215 HydrophobicContact CG-CD2 3.49Å; F185-L215 VanDerWaalsContact CG-CD2 3.49Å; P194-L215 HydrophobicContact CG-CD1 4.33Å; P194-L215 HydrophobicContact CG-CD2 3.59Å; A199-L215 HydrophobicContact CB-CD1 3.73Å; L202-L215 HydrophobicContact CD2-CD1 4.31Å; L202-L215 HydrophobicContact CD2-CD2 3.89Å; L202-L215 HydrophobicContact CD2-CG 3.88Å; A211-L215 WeakPolarHBondContact O-CB 3.45Å; A211-L215 VanDerWaalsContact O-CG 3.22Å; A211-L215 WeakPolarHBondContact O-CG 3.08Å; A211-L215 PolarHBondContact O-N 3.27Å; L215-A218 PolarHBondContact O-N 3.02Å
216	G	97.9	Very high	98.2	Very high	34 Å²	34	57.7 Å²	57.7	35%	0.351	32%	0.315	S	S	.	.	H	α-helix	trans	-73.4	-28.7	-176.7	0	0	0	0	0	113.5	K188 L212	K188-G216 WeakPolarHBondContact CD-O 3.4Å; K188-G216 WeakPolarHBondContact CE-O 3.38Å; K188-G216 PolarHBondContact NZ-O 2.65Å; L212-G216 WeakPolarHBondContact O-CA 3.36Å; L212-G216 PolarHBondContact O-N 3.39Å
217	G	97.1	Very high	98.2	Very high	46 Å²	46	61.3 Å²	61.3	47%	0.474	33%	0.334	S	S	.	.	H	α-helix	trans	-93.8	-10.3	174.8	0	0	0	0	0	114.4	K213 V219	K213-G217 WeakPolarHBondContact O-CA 3.43Å; K213-G217 PolarHBondContact O-N 2.96Å; G217-V219 PolarHBondContact O-N 3.31Å
218	A	97.4	Very high	98.2	Very high	4 Å²	4	69.4 Å²	69.4	3%	0.033	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	44.2	-168.8	0	0	0	0	0	111.8	Q184 F185 H189 L214 L215	Q184-A218 WeakPolarHBondContact CG-O 3.46Å; Q184-A218 PolarHBondContact NE2-O 3.26Å; F185-A218 WeakPolarHBondContact O-CA 3.42Å; F185-A218 WeakPolarHBondContact O-CB 3.23Å; H189-A218 VanDerWaalsContact NE2-CB 3.28Å; H189-A218 WeakPolarHBondContact NE2-CB 3.47Å; L214-A218 VanDerWaalsContact O-CA 3.23Å; L214-A218 WeakPolarHBondContact O-CA 3.49Å; L214-A218 PolarHBondContact O-N 3.19Å; L215-A218 PolarHBondContact O-N 3.02Å
219	V	97.6	Very high	98.2	Very high	38 Å²	38	66.1 Å²	66.1	23%	0.23	33%	0.332	C	S	.	.			trans	-70.9	133.5	-170.7	179.4	0	0	0	0	110.2	L214 G217	L214-V219 HydrophobicContact CD2-CB 4Å; L214-V219 HydrophobicContact CD2-CG1 4.34Å; L214-V219 PolarHBondContact O-N 2.95Å; G217-V219 PolarHBondContact O-N 3.31Å
220	K	98.3	Very high	98.2	Very high	124 Å²	124	60.8 Å²	60.8	54%	0.539	32%	0.316	S	S	.	.			trans	-68.4	129.2	169.2	-68	178.7	-177	174.2	0	109.3	V182 Q184	V182-K220 HydrophobicContact CG1-CB 3.98Å; V182-K220 HydrophobicContact CG1-CG 4.15Å; Q184-K220 HydrophobicContact CG-CG 4.24Å
221	V	98.6	Very high	98.2	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.012	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-111.8	105.1	174.2	-172.7	0	0	0	0	107.8	V182 I183 L214 R225 G226 L231	V182-V221 WeakPolarHBondContact CA-O 3.26Å; I183-V221 PolarHBondContact N-O 3.19Å; I183-V221 WeakPolarHBondContact O-CB 3.22Å; I183-V221 PolarHBondContact O-N 3.49Å; L214-V221 HydrophobicContact CD1-CG2 4.35Å; L214-V221 HydrophobicContact CD2-CG2 3.44Å; L214-V221 VanDerWaalsContact CD2-CG2 3.44Å; V221-R225 HydrophobicContact CG1-CB 4.15Å; V221-R225 HydrophobicContact CG1-CG 4.2Å; V221-G226 VanDerWaalsContact CG1-CA 3.42Å; V221-L231 HydrophobicContact CB-CD2 4.17Å; V221-L231 HydrophobicContact CG1-CD2 3.99Å; V221-L231 HydrophobicContact CG2-CD2 4.16Å
222	D	98.6	Very high	98.2	Very high	71 Å²	71	58.7 Å²	58.7	38%	0.38	31%	0.305	S	S	.	.			trans	-77	174.9	167	58.6	43.4	0	0	0	110.5	E224 R225 G226	D222-E224 PolarHBondContact O-N 2.92Å; D222-E224 PolarHBondContact OD1-N 3.5Å; D222-R225 PolarHBondContact O-N 2.88Å; D222-R225 WeakPolarHBondContact OD1-CB 3.47Å; D222-R225 PolarHBondContact OD1-N 3.28Å; D222-G226 WeakPolarHBondContact O-CA 3.33Å; D222-G226 PolarHBondContact O-N 2.84Å
223	P	98.4	Very high	98.2	Very high	13 Å²	13	55.5 Å²	55.5	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-41.2	-175.6	-23.4	34.1	0	0	0	113.8	M177 A178 S181 G226 L227 V235	M177-P223 HydrophobicContact CB-CB 3.94Å; M177-P223 HydrophobicContact CB-CG 4.02Å; M177-P223 HydrophobicContact CE-CG 4.23Å; A178-P223 WeakPolarHBondContact O-CG 3.18Å; S181-P223 WeakPolarHBondContact O-CD 3.33Å; P223-G226 WeakPolarHBondContact O-CA 3.33Å; P223-G226 PolarHBondContact O-N 3.4Å; P223-L227 WeakPolarHBondContact O-CG 3.23Å; P223-L227 PolarHBondContact O-N 3.31Å; P223-V235 HydrophobicContact CB-CB 4.42Å; P223-V235 HydrophobicContact CB-CG1 3.88Å; P223-V235 HydrophobicContact CB-CG2 3.61Å
224	E	98.2	Very high	98.2	Very high	161 Å²	161	50.2 Å²	50.2	75%	0.752	27%	0.269	S	S	*	.	H	α-helix	trans	-64.8	-49.7	-179.4	-176.3	-175.8	176.4	0	0	111	D222 G226 L227 Y228	D222-E224 PolarHBondContact O-N 2.92Å; D222-E224 PolarHBondContact OD1-N 3.5Å; E224-G226 PolarHBondContact O-N 3.38Å; E224-L227 PolarHBondContact O-N 3.45Å; E224-Y228 PolarHBondContact O-N 3.39Å
225	R	98.3	Very high	98.1	Very high	101 Å²	101	53.1 Å²	53.1	38%	0.381	29%	0.287	S	S	.	.	H	α-helix	trans	-62.2	-36.7	174.5	-172	179.3	-176	109.8	3.5	111	V221 D222 Y228 V229	V221-R225 HydrophobicContact CG1-CB 4.15Å; V221-R225 HydrophobicContact CG1-CG 4.2Å; D222-R225 PolarHBondContact O-N 2.88Å; D222-R225 WeakPolarHBondContact OD1-CB 3.47Å; D222-R225 PolarHBondContact OD1-N 3.28Å; R225-Y228 PolarHBondContact O-N 3.4Å; R225-V229 HydrophobicContact CG-CG1 4.24Å; R225-V229 WeakPolarHBondContact O-CG2 3.31Å; R225-V229 PolarHBondContact O-N 2.63Å
226	G	98.5	Very high	97.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.5	-48.9	176.7	0	0	0	0	0	111.8	V221 D222 P223 E224 G230 L231 A232	V221-G226 VanDerWaalsContact CG1-CA 3.42Å; D222-G226 WeakPolarHBondContact O-CA 3.33Å; D222-G226 PolarHBondContact O-N 2.84Å; P223-G226 WeakPolarHBondContact O-CA 3.33Å; P223-G226 PolarHBondContact O-N 3.4Å; E224-G226 PolarHBondContact O-N 3.38Å; G226-G230 CarbonylContact O-C 3.55Å; G226-G230 PolarHBondContact O-N 3.45Å; G226-L231 PolarHBondContact O-N 3.29Å; G226-A232 PolarHBondContact O-N 3.34Å
227	L	98.5	Very high	97.6	Very high	88 Å²	88	55.9 Å²	55.9	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-62.4	-48	173.5	-68.2	175.4	0	0	0	111.2	P223 E224 V229 G230 A232 V235	P223-L227 WeakPolarHBondContact O-CG 3.23Å; P223-L227 PolarHBondContact O-N 3.31Å; E224-L227 PolarHBondContact O-N 3.45Å; L227-V229 PolarHBondContact O-N 3.34Å; L227-G230 PolarHBondContact O-N 3.45Å; L227-G230 VanDerWaalsContact O-N 3.12Å; L227-A232 HydrophobicContact CD2-CB 4.29Å; L227-V235 HydrophobicContact CD1-CG2 3.73Å; L227-V235 HydrophobicContact CD2-CG2 4.48Å; L227-V235 HydrophobicContact CG-CG2 4.06Å
228	Y	98.3	Very high	96.7	Very high	205 Å²	205	55.2 Å²	55.2	80%	0.804	28%	0.28	S	S	*	.	H	α-helix	trans	-59	-41.7	-176.9	176.4	-101.5	0	0	0	113.4	E224 R225	E224-Y228 PolarHBondContact O-N 3.39Å; R225-Y228 PolarHBondContact O-N 3.4Å
229	V	97.9	Very high	95.2	Very high	14 Å²	14	61.6 Å²	61.6	9%	0.085	31%	0.314	C	S	.	.	H	α-helix	trans	-88.3	-2.8	179.9	-53.6	0	0	0	0	113.6	V206 R225 L227 L231	V206-V229 WeakPolarHBondContact CB-O 3.45Å; V206-V229 HydrophobicContact CG1-CG2 4.24Å; V206-V229 VanDerWaalsContact CG1-O 3.31Å; V206-V229 WeakPolarHBondContact CG1-O 3.46Å; R225-V229 HydrophobicContact CG-CG1 4.24Å; R225-V229 WeakPolarHBondContact O-CG2 3.31Å; R225-V229 PolarHBondContact O-N 2.63Å; L227-V229 PolarHBondContact O-N 3.34Å; V229-L231 HydrophobicContact CG2-CB 3.8Å
230	G	98.1	Very high	93.3	Very high	34 Å²	34	63.1 Å²	63.1	35%	0.351	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	19.9	-176.6	0	0	0	0	0	114.7	I205 G226 L227	I205-G230 VanDerWaalsContact CG2-O 3.25Å; I205-G230 WeakPolarHBondContact CG2-O 3.28Å; G226-G230 CarbonylContact O-C 3.55Å; G226-G230 PolarHBondContact O-N 3.45Å; L227-G230 PolarHBondContact O-N 3.45Å; L227-G230 VanDerWaalsContact O-N 3.12Å
231	L	98.6	Very high	91.3	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-82.7	-30.7	174.3	-176.1	59.4	0	0	0	112.1	R175 I183 L202 I205 V206 V221 G226 V229	R175-L231 WeakPolarHBondContact CD-O 3.44Å; R175-L231 PolarHBondContact NE-O 3.11Å; I183-L231 HydrophobicContact CB-CD2 4.16Å; I183-L231 HydrophobicContact CD1-CD2 4.18Å; I183-L231 HydrophobicContact CD1-CG 4.25Å; I183-L231 HydrophobicContact CG2-CD2 4Å; L202-L231 HydrophobicContact CD1-CD1 3.8Å; I205-L231 HydrophobicContact CG2-CD1 4.23Å; V206-L231 HydrophobicContact CG1-CB 3.9Å; V206-L231 HydrophobicContact CG1-CD1 4.35Å; V221-L231 HydrophobicContact CB-CD2 4.17Å; V221-L231 HydrophobicContact CG1-CD2 3.99Å; V221-L231 HydrophobicContact CG2-CD2 4.16Å; G226-L231 PolarHBondContact O-N 3.29Å; V229-L231 HydrophobicContact CG2-CB 3.8Å
232	A	98.6	Very high	89.2	Confident	7 Å²	7	64.3 Å²	64.3	6%	0.058	35%	0.353	C	S	.	.			trans	-107.7	147.3	176.9	0	0	0	0	0	110.8	M177 G226 L227	M177-A232 HydrophobicContact CG-CB 4.05Å; M177-A232 HydrophobicContact SD-CB 3.8Å; G226-A232 PolarHBondContact O-N 3.34Å; L227-A232 HydrophobicContact CD2-CB 4.29Å
233	D	98.6	Very high	87.1	Confident	63 Å²	63	68.2 Å²	68.2	34%	0.337	38%	0.382	S	S	.	.	S	Bend	trans	-106.5	-8.6	-179.9	-59.3	-88	0	0	0	112.1	F174 R175 W255	F174-D233 WeakPolarHBondContact CA-OD2 3.48Å; F174-D233 HydrophobicContact CB-CB 4.23Å; F174-D233 HydrophobicContact CD1-CB 4.16Å; R175-D233 IonicContact CZ-OD2 3.66Å; R175-D233 PolarHBondContact N-OD2 3.26Å; R175-D233 IonicContact NE-OD2 2.77Å; R175-D233 IonicContact NH2-OD1 3.37Å; R175-D233 IonicContact NH2-OD2 3.81Å; R175-D233 PolarHBondContact NH2-OD2 3.47Å; R175-D233 PolarHBondContact O-N 2.92Å; D233-W255 HydrophobicContact CB-CH2 4.32Å; D233-W255 HydrophobicContact CB-CZ2 4.05Å
234	G	97.6	Very high	85.2	Confident	12 Å²	12	72.7 Å²	72.7	12%	0.124	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	164.7	176.8	0	0	0	0	0	112.4	L176 M177	L176-G234 WeakPolarHBondContact CA-O 3.49Å; M177-G234 PolarHBondContact N-O 2.85Å
235	V	97	Very high	83.4	Confident	64 Å²	64	66.2 Å²	66.2	39%	0.388	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.8	176.6	-175.5	0	0	0	0	108	M177 P223 L227	M177-V235 CarbonylContact O-C 3.53Å; M177-V235 WeakPolarHBondContact O-CA 3.13Å; M177-V235 WeakPolarHBondContact O-CG1 3.37Å; P223-V235 HydrophobicContact CB-CB 4.42Å; P223-V235 HydrophobicContact CB-CG1 3.88Å; P223-V235 HydrophobicContact CB-CG2 3.61Å; L227-V235 HydrophobicContact CD1-CG2 3.73Å; L227-V235 HydrophobicContact CD2-CG2 4.48Å; L227-V235 HydrophobicContact CG-CG2 4.06Å
236	L	94.6	Very high	82.4	Confident	14 Å²	14	62.6 Å²	62.6	7%	0.073	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-74.2	152.6	177.6	-53.2	179.8	0	0	0	110.7	L156 L176 M177 A178 P179 P248 Q251	L156-L236 HydrophobicContact CD1-CD1 3.44Å; L156-L236 VanDerWaalsContact CD1-CD1 3.44Å; L156-L236 HydrophobicContact CD1-CD2 4.26Å; L156-L236 HydrophobicContact CD1-CG 4.32Å; L176-L236 HydrophobicContact CB-CD2 4.1Å; L176-L236 HydrophobicContact CD1-CD2 4.25Å; M177-L236 PolarHBondContact O-N 2.93Å; A178-L236 HydrophobicContact CB-CD1 3.9Å; P179-L236 WeakPolarHBondContact CD-O 3.27Å; L236-P248 HydrophobicContact CD1-CB 3.79Å; L236-Q251 HydrophobicContact CD2-CB 4.1Å
237	E	89.9	Confident	82.1	Confident	113 Å²	113	66 Å²	66	53%	0.528	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-70.4	140.2	169.3	-61.7	-177.3	169	0	0	109.3	Q251	E237-Q251 PolarHBondContact O-NE2 3.12Å
238	A	79.4	Confident	81.9	Confident	32 Å²	32	63.2 Å²	63.2	26%	0.264	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-72.6	151.9	177.9	0	0	0	0	0	110.7	P179 G240 D241	P179-A238 HydrophobicContact CG-CB 4.08Å; A238-G240 PolarHBondContact O-N 2.87Å; A238-D241 WeakPolarHBondContact CB-OD2 3.28Å; A238-D241 PolarHBondContact N-OD2 2.77Å; A238-D241 PolarHBondContact O-N 2.79Å; A238-D241 VanDerWaalsContact O-N 3.08Å
239	D	64.8	Low	81.7	Confident	137 Å²	137	55 Å²	55	73%	0.733	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-3.8	178.8	-73.6	-32.2	0	0	0	114.6
240	G	58.1	Low	81.6	Confident	70 Å²	70	58.7 Å²	58.7	72%	0.722	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-5.5	178.9	0	0	0	0	0	116.1	A238	A238-G240 PolarHBondContact O-N 2.87Å
241	D	56.4	Low	81.5	Confident	124 Å²	124	58.4 Å²	58.4	66%	0.663	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-24.2	-173.4	-69.4	-30.7	0	0	0	112.6	A238	A238-D241 WeakPolarHBondContact CB-OD2 3.28Å; A238-D241 PolarHBondContact N-OD2 2.77Å; A238-D241 PolarHBondContact O-N 2.79Å; A238-D241 VanDerWaalsContact O-N 3.08Å
242	A	55.2	Low	81.4	Confident	28 Å²	28	58.4 Å²	58.4	23%	0.231	37%	0.366	C	S	.	.			trans	-153.7	138.6	171.5	0	0	0	0	0	111.6	S244 A245	A242-S244 PolarHBondContact O-N 3.34Å; A242-A245 WeakPolarHBondContact O-CB 3.42Å; A242-A245 PolarHBondContact O-N 2.78Å
243	P	54.9	Low	81.3	Confident	152 Å²	152	59.6 Å²	59.6	99%	0.987	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-10.9	172	-21.1	31.2	0	0	0	114.6
244	S	57	Low	81.1	Confident	107 Å²	107	60.3 Å²	60.3	75%	0.748	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	0.9	179.6	60.5	0	0	0	0	114.1	A242 G246	A242-S244 PolarHBondContact O-N 3.34Å; S244-G246 PolarHBondContact O-N 3.44Å; S244-G246 VanDerWaalsContact O-N 3.11Å
245	A	61.9	Low	81.1	Confident	25 Å²	25	61.6 Å²	61.6	21%	0.207	38%	0.375	C	S	.	.			trans	-64.6	114.9	177	0	0	0	0	0	108.4	A242	A242-A245 WeakPolarHBondContact O-CB 3.42Å; A242-A245 PolarHBondContact O-N 2.78Å
246	G	77.5	Confident	81.2	Confident	25 Å²	25	58.5 Å²	58.5	26%	0.258	36%	0.356	S	S	.	.			trans	-62.8	166.4	174.9	0	0	0	0	0	111.1	S244 Q251	S244-G246 PolarHBondContact O-N 3.44Å; S244-G246 VanDerWaalsContact O-N 3.11Å; G246-Q251 PolarHBondContact O-NE2 3.47Å
247	T	91.3	Very high	81.3	Confident	73 Å²	73	64.2 Å²	64.2	45%	0.448	38%	0.377	S	S	.	.			trans	-51.9	153.9	172.3	63	0	0	0	0	111.1	L249 Q250 Q251	T247-L249 PolarHBondContact O-N 3.33Å; T247-Q250 WeakPolarHBondContact O-CA 3.16Å; T247-Q250 WeakPolarHBondContact O-CB 3.46Å; T247-Q250 PolarHBondContact O-N 3.14Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.43Å; T247-Q250 PolarHBondContact OG1-N 3.45Å; T247-Q250 PolarHBondContact OG1-OE1 3.46Å; T247-Q250 VanDerWaalsContact OG1-OE1 3.05Å; T247-Q251 PolarHBondContact O-N 3.43Å
248	P	93.7	Very high	81.5	Confident	28 Å²	28	66 Å²	66	18%	0.182	38%	0.379	C	S	.	.	H	α-helix	trans	-50.4	-35.8	177.9	-32.4	36.8	0	0	0	114.3	L156 E158 L236 A252	L156-P248 HydrophobicContact CD2-CB 4.48Å; E158-P248 HydrophobicContact CG-CB 3.96Å; E158-P248 VanDerWaalsContact OE1-CB 3.27Å; E158-P248 WeakPolarHBondContact OE1-CB 3.43Å; L236-P248 HydrophobicContact CD1-CB 3.79Å; P248-A252 WeakPolarHBondContact O-CB 3.23Å; P248-A252 PolarHBondContact O-N 3.33Å
249	L	95.3	Very high	82.3	Confident	33 Å²	33	69 Å²	69	17%	0.173	38%	0.384	C	S	.	.	H	α-helix	trans	-66.4	-45.6	175.2	178.3	59.1	0	0	0	112.1	V69 V106 L156 T247 Q251 A252 E253	V69-L249 HydrophobicContact CG1-CD1 4.14Å; V69-L249 HydrophobicContact CG1-CD2 4.49Å; V69-L249 HydrophobicContact CG2-CD1 3.98Å; V69-L249 HydrophobicContact CG2-CD2 4.38Å; V106-L249 HydrophobicContact CB-CD1 4.33Å; V106-L249 HydrophobicContact CG1-CD1 3.92Å; L156-L249 HydrophobicContact CD2-CB 4.41Å; L156-L249 HydrophobicContact CD2-CD1 4.42Å; T247-L249 PolarHBondContact O-N 3.33Å; L249-Q251 VanDerWaalsContact C-N 3.34Å; L249-Q251 PolarHBondContact O-N 2.79Å; L249-A252 PolarHBondContact O-N 3.37Å; L249-E253 HydrophobicContact CD1-CG 4.21Å; L249-E253 HydrophobicContact CG-CG 4.46Å; L249-E253 WeakPolarHBondContact O-CG 3.44Å; L249-E253 PolarHBondContact O-N 3.02Å
250	Q	95	Very high	83.9	Confident	91 Å²	91	62.9 Å²	62.9	43%	0.425	35%	0.352	S	S	.	.	H	α-helix	trans	-61.5	-43.2	176.6	-74.1	165.4	-34.7	0	0	111.3	T247 A252 E253 D254	T247-Q250 WeakPolarHBondContact O-CA 3.16Å; T247-Q250 WeakPolarHBondContact O-CB 3.46Å; T247-Q250 PolarHBondContact O-N 3.14Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.43Å; T247-Q250 PolarHBondContact OG1-N 3.45Å; T247-Q250 PolarHBondContact OG1-OE1 3.46Å; T247-Q250 VanDerWaalsContact OG1-OE1 3.05Å; Q250-A252 VanDerWaalsContact C-N 3.31Å; Q250-A252 PolarHBondContact O-N 2.73Å; Q250-E253 PolarHBondContact O-N 2.67Å; Q250-D254 WeakPolarHBondContact O-CB 3.22Å; Q250-D254 PolarHBondContact O-N 3.04Å
251	Q	95.3	Very high	85.7	Confident	28 Å²	28	67 Å²	67	13%	0.131	35%	0.352	C	S	.	.	H	α-helix	trans	-59.7	-42.2	175.1	-65.4	-175.5	40.4	0	0	111.8	L236 E237 G246 T247 L249 D254 W255	L236-Q251 HydrophobicContact CD2-CB 4.1Å; E237-Q251 PolarHBondContact O-NE2 3.12Å; G246-Q251 PolarHBondContact O-NE2 3.47Å; T247-Q251 PolarHBondContact O-N 3.43Å; L249-Q251 VanDerWaalsContact C-N 3.34Å; L249-Q251 PolarHBondContact O-N 2.79Å; Q251-D254 PolarHBondContact O-N 2.82Å; Q251-W255 VanDerWaalsContact O-CB 3.29Å; Q251-W255 WeakPolarHBondContact O-CB 3.23Å; Q251-W255 PolarHBondContact O-N 3.29Å
252	A	96.9	Very high	87.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-66.2	-40.7	176.3	0	0	0	0	0	112.7	V106 L156 L176 P248 L249 Q250 W255 L256	V106-A252 HydrophobicContact CG1-CB 4.37Å; L156-A252 HydrophobicContact CB-CB 4.43Å; L156-A252 HydrophobicContact CD1-CB 4.09Å; L156-A252 HydrophobicContact CD2-CB 4Å; L156-A252 HydrophobicContact CG-CB 4.4Å; L176-A252 HydrophobicContact CD1-CB 4.02Å; P248-A252 WeakPolarHBondContact O-CB 3.23Å; P248-A252 PolarHBondContact O-N 3.33Å; L249-A252 PolarHBondContact O-N 3.37Å; Q250-A252 VanDerWaalsContact C-N 3.31Å; Q250-A252 PolarHBondContact O-N 2.73Å; A252-W255 PolarHBondContact O-N 3.07Å; A252-L256 WeakPolarHBondContact O-CB 3.28Å; A252-L256 PolarHBondContact O-N 3.28Å
253	E	96.7	Very high	89.5	Confident	33 Å²	33	63.9 Å²	63.9	15%	0.154	34%	0.342	C	S	.	.	H	α-helix	trans	-63.9	-43.7	175.6	-73.7	173.9	165	0	0	111.6	Q63 V106 L249 Q250 L256 R257	Q63-E253 PolarHBondContact NE2-OE1 3.29Å; Q63-E253 PolarHBondContact OE1-OE1 2.99Å; V106-E253 HydrophobicContact CG2-CG 4.34Å; L249-E253 HydrophobicContact CD1-CG 4.21Å; L249-E253 HydrophobicContact CG-CG 4.46Å; L249-E253 WeakPolarHBondContact O-CG 3.44Å; L249-E253 PolarHBondContact O-N 3.02Å; Q250-E253 PolarHBondContact O-N 2.67Å; E253-L256 PolarHBondContact O-N 2.89Å; E253-R257 WeakPolarHBondContact O-CB 3.3Å; E253-R257 PolarHBondContact O-N 2.85Å
254	D	95.8	Very high	91.5	Very high	77 Å²	77	57.7 Å²	57.7	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-65.8	-42.2	176	-74.4	-27.2	0	0	0	111.6	Q250 Q251 L256 R257	Q250-D254 WeakPolarHBondContact O-CB 3.22Å; Q250-D254 PolarHBondContact O-N 3.04Å; Q251-D254 PolarHBondContact O-N 2.82Å; D254-L256 VanDerWaalsContact C-N 3.32Å; D254-L256 PolarHBondContact O-N 3.13Å; D254-R257 WeakPolarHBondContact O-CB 3.33Å; D254-R257 PolarHBondContact O-N 2.88Å; D254-R257 IonicContact OD1-CZ 3.16Å; D254-R257 IonicContact OD1-NH1 3.9Å; D254-R257 PolarHBondContact OD1-NH1 3.42Å; D254-R257 IonicContact OD1-NH2 2.81Å; D254-R257 PolarHBondContact OD1-NH2 2.91Å
255	W	97.3	Very high	93.4	Very high	39 Å²	39	56.5 Å²	56.5	15%	0.148	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-43.9	174.4	-175.2	104.8	0	0	0	111.3	V154 F174 L176 D233 Q251 A252 R257 R258 Y259	V154-W255 HydrophobicContact CG2-CE3 4.49Å; V154-W255 HydrophobicContact CG2-CZ3 4.41Å; F174-W255 HydrophobicContact CB-CH2 3.66Å; F174-W255 HydrophobicContact CB-CZ3 3.83Å; F174-W255 AromaticContact CD1-CH2 3.79Å; F174-W255 HydrophobicContact CD1-CH2 3.79Å; F174-W255 AromaticContact CD2-CH2 3.66Å; F174-W255 HydrophobicContact CD2-CH2 3.66Å; F174-W255 AromaticContact CD2-CZ3 3.59Å; F174-W255 HydrophobicContact CD2-CZ3 3.59Å; F174-W255 HydrophobicContact CE1-CH2 4.3Å; F174-W255 HydrophobicContact CE2-CH2 4.17Å; F174-W255 HydrophobicContact CE2-CZ3 4.24Å; F174-W255 AromaticContact CG-CH2 3.42Å; F174-W255 HydrophobicContact CG-CH2 3.42Å; F174-W255 VanDerWaalsContact CG-CH2 3.42Å; F174-W255 AromaticContact CG-CZ3 3.75Å; F174-W255 HydrophobicContact CG-CZ3 3.75Å; F174-W255 HydrophobicContact CZ-CH2 4.47Å; L176-W255 HydrophobicContact CD1-CB 3.81Å; L176-W255 HydrophobicContact CD1-CD2 3.83Å; L176-W255 HydrophobicContact CD1-CE3 4.1Å; L176-W255 HydrophobicContact CD1-CG 3.69Å; L176-W255 HydrophobicContact CD2-CD2 3.88Å; L176-W255 HydrophobicContact CD2-CG 4.02Å; L176-W255 HydrophobicContact CD2-CZ2 4.24Å; L176-W255 HydrophobicContact CG-CD2 4.25Å; L176-W255 HydrophobicContact CG-CG 4.43Å; D233-W255 HydrophobicContact CB-CH2 4.32Å; D233-W255 HydrophobicContact CB-CZ2 4.05Å; Q251-W255 VanDerWaalsContact O-CB 3.29Å; Q251-W255 WeakPolarHBondContact O-CB 3.23Å; Q251-W255 PolarHBondContact O-N 3.29Å; A252-W255 PolarHBondContact O-N 3.07Å; W255-R257 VanDerWaalsContact C-N 3.34Å; W255-R258 VanDerWaalsContact CD2-NH2 3.26Å; W255-R258 VanDerWaalsContact CG-NH2 3.3Å; W255-R258 PolarHBondContact O-NE 3.49Å; W255-R258 VanDerWaalsContact O-NE 3.08Å; W255-R258 PolarHBondContact O-NH2 3.45Å; W255-Y259 HydrophobicContact CD2-CE2 4.14Å; W255-Y259 HydrophobicContact CE3-CD2 4.13Å; W255-Y259 AromaticContact CE3-CE2 3.75Å; W255-Y259 HydrophobicContact CE3-CE2 3.75Å; W255-Y259 HydrophobicContact CH2-CD2 4.14Å; W255-Y259 AromaticContact CH2-CE2 3.34Å; W255-Y259 HydrophobicContact CH2-CE2 3.34Å; W255-Y259 AromaticContact CH2-CZ 3.92Å; W255-Y259 AromaticContact CZ2-CE2 3.81Å; W255-Y259 HydrophobicContact CZ2-CE2 3.81Å; W255-Y259 AromaticContact CZ3-CD2 3.73Å; W255-Y259 HydrophobicContact CZ3-CD2 3.73Å; W255-Y259 AromaticContact CZ3-CE2 3.33Å; W255-Y259 HydrophobicContact CZ3-CE2 3.33Å
256	L	97.7	Very high	95.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-71.5	-27.3	-179.9	-172.6	64.3	0	0	0	112.4	V67 V106 V152 V154 A252 E253 D254 R258 Y259 T260	V67-L256 HydrophobicContact CG1-CD2 4.09Å; V106-L256 HydrophobicContact CG2-CD2 4.09Å; V152-L256 HydrophobicContact CB-CD1 4.18Å; V152-L256 HydrophobicContact CG1-CD1 3.75Å; V154-L256 HydrophobicContact CB-CD1 4.45Å; V154-L256 HydrophobicContact CG1-CB 4.43Å; V154-L256 HydrophobicContact CG1-CD1 4.26Å; V154-L256 HydrophobicContact CG1-CD2 4.07Å; V154-L256 HydrophobicContact CG1-CG 4.49Å; A252-L256 WeakPolarHBondContact O-CB 3.28Å; A252-L256 PolarHBondContact O-N 3.28Å; E253-L256 PolarHBondContact O-N 2.89Å; D254-L256 VanDerWaalsContact C-N 3.32Å; D254-L256 PolarHBondContact O-N 3.13Å; L256-R258 PolarHBondContact O-N 2.85Å; L256-Y259 PolarHBondContact O-N 3.42Å; L256-T260 HydrophobicContact CD1-CG2 4.26Å; L256-T260 HydrophobicContact CG-CG2 3.94Å; L256-T260 PolarHBondContact O-N 3Å; L256-T260 PolarHBondContact O-OG1 3.38Å
257	R	96.4	Very high	96.1	Very high	134 Å²	134	57.3 Å²	57.3	51%	0.506	29%	0.288	S	S	.	.	H	α-helix	trans	-54.6	-36.1	177.7	-169.6	179	-65.4	137.6	11.9	112	E253 D254 W255 Y259 T260 E261	E253-R257 WeakPolarHBondContact O-CB 3.3Å; E253-R257 PolarHBondContact O-N 2.85Å; D254-R257 WeakPolarHBondContact O-CB 3.33Å; D254-R257 PolarHBondContact O-N 2.88Å; D254-R257 IonicContact OD1-CZ 3.16Å; D254-R257 IonicContact OD1-NH1 3.9Å; D254-R257 PolarHBondContact OD1-NH1 3.42Å; D254-R257 IonicContact OD1-NH2 2.81Å; D254-R257 PolarHBondContact OD1-NH2 2.91Å; W255-R257 VanDerWaalsContact C-N 3.34Å; R257-Y259 PolarHBondContact O-N 2.91Å; R257-T260 WeakPolarHBondContact CA-OG1 3.47Å; R257-T260 CarbonylContact O-C 3.55Å; R257-T260 PolarHBondContact O-N 3.24Å; R257-E261 WeakPolarHBondContact O-CB 3.37Å; R257-E261 PolarHBondContact O-N 3.09Å
258	R	95.3	Very high	96.5	Very high	151 Å²	151	56 Å²	56	57%	0.57	28%	0.277	S	S	*	.	H	α-helix	trans	-59.3	-21.7	177.8	-60.8	178	-61.5	153	10.8	114.1	W255 L256	W255-R258 VanDerWaalsContact CD2-NH2 3.26Å; W255-R258 VanDerWaalsContact CG-NH2 3.3Å; W255-R258 PolarHBondContact O-NE 3.49Å; W255-R258 VanDerWaalsContact O-NE 3.08Å; W255-R258 PolarHBondContact O-NH2 3.45Å; L256-R258 PolarHBondContact O-N 2.85Å
259	Y	96.7	Very high	96.7	Very high	95 Å²	95	55.1 Å²	55.1	37%	0.373	27%	0.272	S	S	.	.	H	α-helix	trans	-109.6	-8.2	178.9	-50	-75.3	0	0	0	113.2	F174 W255 L256 R257	F174-Y259 HydrophobicContact CE2-CD2 4.33Å; F174-Y259 HydrophobicContact CE2-CG 4.38Å; W255-Y259 HydrophobicContact CD2-CE2 4.14Å; W255-Y259 HydrophobicContact CE3-CD2 4.13Å; W255-Y259 AromaticContact CE3-CE2 3.75Å; W255-Y259 HydrophobicContact CE3-CE2 3.75Å; W255-Y259 HydrophobicContact CH2-CD2 4.14Å; W255-Y259 AromaticContact CH2-CE2 3.34Å; W255-Y259 HydrophobicContact CH2-CE2 3.34Å; W255-Y259 AromaticContact CH2-CZ 3.92Å; W255-Y259 AromaticContact CZ2-CE2 3.81Å; W255-Y259 HydrophobicContact CZ2-CE2 3.81Å; W255-Y259 AromaticContact CZ3-CD2 3.73Å; W255-Y259 HydrophobicContact CZ3-CD2 3.73Å; W255-Y259 AromaticContact CZ3-CE2 3.33Å; W255-Y259 HydrophobicContact CZ3-CE2 3.33Å; L256-Y259 PolarHBondContact O-N 3.42Å; R257-Y259 PolarHBondContact O-N 2.91Å
260	T	97.4	Very high	96.8	Very high	8 Å²	8	57.8 Å²	57.8	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-121	2.2	-175.9	57.8	0	0	0	0	113	K103 V152 L256 R257 I267	K103-T260 HydrophobicContact CB-CG2 4.18Å; K103-T260 VanDerWaalsContact CD-O 3.3Å; K103-T260 WeakPolarHBondContact CD-O 3.16Å; V152-T260 HydrophobicContact CB-CG2 4.03Å; V152-T260 HydrophobicContact CG2-CG2 4.33Å; L256-T260 HydrophobicContact CD1-CG2 4.26Å; L256-T260 HydrophobicContact CG-CG2 3.94Å; L256-T260 PolarHBondContact O-N 3Å; L256-T260 PolarHBondContact O-OG1 3.38Å; R257-T260 WeakPolarHBondContact CA-OG1 3.47Å; R257-T260 CarbonylContact O-C 3.55Å; R257-T260 PolarHBondContact O-N 3.24Å; T260-I267 WeakPolarHBondContact O-CD1 3.24Å
261	E	95.3	Very high	97	Very high	157 Å²	157	54 Å²	54	73%	0.734	27%	0.272	S	S	*	.			trans	-72.3	134.1	168.6	-171.8	170.2	-167.4	0	0	110.6	R257	R257-E261 WeakPolarHBondContact O-CB 3.37Å; R257-E261 PolarHBondContact O-N 3.09Å
262	G	94.6	Very high	97.1	Very high	35 Å²	35	56 Å²	56	36%	0.361	28%	0.28	S	S	.	.	S	Bend	trans	111.5	-169.8	179.8	0	0	0	0	0	114.7	K103	K103-G262 PolarHBondContact NZ-O 3.38Å
263	P	96.9	Very high	97.2	Very high	50 Å²	50	57.5 Å²	57.5	33%	0.325	29%	0.289	S	S	.	.			trans	-70.8	130.1	-172.9	-19.7	34.1	0	0	0	112.3	P265 V266 I267 A301	P263-P265 VanDerWaalsContact C-CD 3.48Å; P263-V266 HydrophobicContact CB-CG2 4.14Å; P263-V266 HydrophobicContact CG-CG2 4.44Å; P263-V266 PolarHBondContact O-N 3.23Å; P263-I267 PolarHBondContact O-N 3.22Å; P263-A301 HydrophobicContact CB-CB 3.7Å; P263-A301 HydrophobicContact CG-CB 3.7Å
264	V	97.8	Very high	97.2	Very high	23 Å²	23	60.5 Å²	60.5	14%	0.139	31%	0.309	C	S	.	.	H	α-helix	trans	-47	-50.8	179.4	-179.3	0	0	0	0	112.5	T100 G102 K103 V266 I267 Q268	T100-V264 VanDerWaalsContact O-CG1 3.27Å; T100-V264 WeakPolarHBondContact O-CG1 3.45Å; G102-V264 WeakPolarHBondContact O-CG1 3.3Å; K103-V264 HydrophobicContact CD-CG2 4.12Å; K103-V264 HydrophobicContact CG-CB 4.43Å; K103-V264 HydrophobicContact CG-CG1 4.46Å; K103-V264 HydrophobicContact CG-CG2 3.78Å; V264-V266 PolarHBondContact O-N 3.35Å; V264-V266 VanDerWaalsContact O-N 3.12Å; V264-I267 PolarHBondContact O-N 3.03Å; V264-Q268 HydrophobicContact CG1-CG 4.04Å; V264-Q268 VanDerWaalsContact CG1-NE2 3.29Å; V264-Q268 VanDerWaalsContact O-CG 3.3Å; V264-Q268 WeakPolarHBondContact O-CG 3.49Å; V264-Q268 PolarHBondContact O-N 3.47Å
265	P	97.4	Very high	97.3	Very high	81 Å²	81	57.7 Å²	57.7	53%	0.526	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-27.8	-176.1	-22.4	35.3	0	0	0	113.5	P263 A269	P263-P265 VanDerWaalsContact C-CD 3.48Å; P265-A269 WeakPolarHBondContact O-CB 3.45Å; P265-A269 PolarHBondContact O-N 3.31Å
266	V	98.1	Very high	97.3	Very high	54 Å²	54	56.2 Å²	56.2	33%	0.327	29%	0.291	S	S	.	.	H	α-helix	trans	-77.6	-43.7	179.8	-179.8	0	0	0	0	110.6	P263 V264 Q268 A269 V270 V296 A301	P263-V266 HydrophobicContact CB-CG2 4.14Å; P263-V266 HydrophobicContact CG-CG2 4.44Å; P263-V266 PolarHBondContact O-N 3.23Å; V264-V266 PolarHBondContact O-N 3.35Å; V264-V266 VanDerWaalsContact O-N 3.12Å; V266-Q268 PolarHBondContact O-N 3.07Å; V266-A269 WeakPolarHBondContact O-CB 3.45Å; V266-A269 PolarHBondContact O-N 3.1Å; V266-V270 WeakPolarHBondContact O-CG2 3.46Å; V266-V270 PolarHBondContact O-N 3.5Å; V266-V296 HydrophobicContact CG2-CG1 4.49Å; V266-A301 HydrophobicContact CG2-CB 4.14Å
267	I	98.3	Very high	97.3	Very high	14 Å²	14	58.7 Å²	58.7	7%	0.072	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-47.4	176.9	-65.4	157	0	0	0	110.2	K103 V152 T260 P263 V264 A269 V270 K271	K103-I267 HydrophobicContact CB-CD1 4.22Å; K103-I267 HydrophobicContact CB-CG2 4.43Å; K103-I267 HydrophobicContact CD-CD1 3.8Å; K103-I267 HydrophobicContact CG-CD1 4.05Å; V152-I267 HydrophobicContact CG2-CG2 3.92Å; T260-I267 WeakPolarHBondContact O-CD1 3.24Å; P263-I267 PolarHBondContact O-N 3.22Å; V264-I267 PolarHBondContact O-N 3.03Å; I267-A269 VanDerWaalsContact C-N 3.32Å; I267-A269 PolarHBondContact O-N 2.79Å; I267-V270 PolarHBondContact O-N 3.41Å; I267-K271 PolarHBondContact O-N 3.48Å
268	Q	98.4	Very high	97.2	Very high	44 Å²	44	55.8 Å²	55.8	21%	0.206	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-38.5	176.7	-62.3	-173.1	-11.5	0	0	112.1	T100 G102 P150 V264 V266 K272	T100-Q268 PolarHBondContact O-NE2 3.04Å; G102-Q268 PolarHBondContact O-NE2 3.22Å; P150-Q268 HydrophobicContact CB-CB 4.18Å; P150-Q268 HydrophobicContact CB-CG 4.07Å; P150-Q268 WeakPolarHBondContact O-CG 3.19Å; V264-Q268 HydrophobicContact CG1-CG 4.04Å; V264-Q268 VanDerWaalsContact CG1-NE2 3.29Å; V264-Q268 VanDerWaalsContact O-CG 3.3Å; V264-Q268 WeakPolarHBondContact O-CG 3.49Å; V264-Q268 PolarHBondContact O-N 3.47Å; V266-Q268 PolarHBondContact O-N 3.07Å; Q268-K272 WeakPolarHBondContact O-CB 3.19Å; Q268-K272 PolarHBondContact O-N 3.32Å
269	A	98.3	Very high	97.1	Very high	11 Å²	11	51.8 Å²	51.8	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-46.4	175.7	0	0	0	0	0	112.1	P265 V266 I267 K271 K272 V273 V292 V296	P265-A269 WeakPolarHBondContact O-CB 3.45Å; P265-A269 PolarHBondContact O-N 3.31Å; V266-A269 WeakPolarHBondContact O-CB 3.45Å; V266-A269 PolarHBondContact O-N 3.1Å; I267-A269 VanDerWaalsContact C-N 3.32Å; I267-A269 PolarHBondContact O-N 2.79Å; A269-K271 PolarHBondContact O-N 3.18Å; A269-K272 WeakPolarHBondContact O-CB 3.11Å; A269-K272 PolarHBondContact O-N 2.69Å; A269-K272 VanDerWaalsContact O-N 3.16Å; A269-V273 WeakPolarHBondContact O-CG2 3.48Å; A269-V273 PolarHBondContact O-N 3.02Å; A269-V292 HydrophobicContact CB-CG1 3.49Å; A269-V292 VanDerWaalsContact CB-CG1 3.49Å; A269-V296 HydrophobicContact CB-CG1 3.89Å
270	V	98.3	Very high	97	Very high	88 Å²	88	50.3 Å²	50.3	53%	0.533	29%	0.291	S	S	.	.	H	α-helix	trans	-58.2	-50.3	176.9	169.5	0	0	0	0	110.5	V266 I267 K272 V273 V274	V266-V270 WeakPolarHBondContact O-CG2 3.46Å; V266-V270 PolarHBondContact O-N 3.5Å; I267-V270 PolarHBondContact O-N 3.41Å; V270-K272 VanDerWaalsContact C-N 3.27Å; V270-K272 PolarHBondContact O-N 2.7Å; V270-V273 PolarHBondContact O-N 3.22Å; V270-V273 VanDerWaalsContact O-N 3.15Å; V270-V274 HydrophobicContact CG1-CG2 4.46Å; V270-V274 WeakPolarHBondContact O-CG2 3.25Å; V270-V274 PolarHBondContact O-N 2.97Å
271	K	98.1	Very high	97	Very high	12 Å²	12	53.8 Å²	53.8	5%	0.052	31%	0.314	C	S	.	.	H	α-helix	trans	-54.2	-43.5	175.8	173.7	63.3	174.8	-179.6	0	111.8	L147 L149 L151 D173 I267 A269 L275	L147-K271 PolarHBondContact O-NZ 3.23Å; L149-K271 WeakPolarHBondContact O-CE 3.38Å; L151-K271 VanDerWaalsContact O-CE 3.26Å; L151-K271 WeakPolarHBondContact O-CE 3.37Å; D173-K271 IonicContact OD1-NZ 3.79Å; D173-K271 PolarHBondContact OD1-NZ 3.2Å; D173-K271 IonicContact OD2-NZ 2.78Å; D173-K271 PolarHBondContact OD2-NZ 3.29Å; I267-K271 PolarHBondContact O-N 3.48Å; A269-K271 PolarHBondContact O-N 3.18Å; K271-L275 HydrophobicContact CD-CD1 4.1Å; K271-L275 HydrophobicContact CD-CG 4.24Å; K271-L275 HydrophobicContact CG-CD1 4.26Å; K271-L275 WeakPolarHBondContact O-CB 3.44Å; K271-L275 VanDerWaalsContact O-CG 3.29Å; K271-L275 WeakPolarHBondContact O-CG 3.46Å; K271-L275 PolarHBondContact O-N 3.32Å
272	K	97.9	Very high	97.1	Very high	69 Å²	69	52.5 Å²	52.5	30%	0.3	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-41.8	178.4	-179.6	175.4	166.6	-176.7	0	112.8	Q268 A269 V270 A276 V292	Q268-K272 WeakPolarHBondContact O-CB 3.19Å; Q268-K272 PolarHBondContact O-N 3.32Å; A269-K272 WeakPolarHBondContact O-CB 3.11Å; A269-K272 PolarHBondContact O-N 2.69Å; A269-K272 VanDerWaalsContact O-N 3.16Å; V270-K272 VanDerWaalsContact C-N 3.27Å; V270-K272 PolarHBondContact O-N 2.7Å; K272-A276 WeakPolarHBondContact O-CB 3.22Å; K272-A276 PolarHBondContact O-N 3.1Å; K272-A276 VanDerWaalsContact O-N 3.07Å; K272-V292 HydrophobicContact CD-CG2 3.49Å; K272-V292 VanDerWaalsContact CD-CG2 3.49Å; K272-V292 HydrophobicContact CG-CG2 3.95Å
273	V	98.1	Very high	97.3	Very high	32 Å²	32	57.6 Å²	57.6	19%	0.194	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-46.4	178.8	173.1	0	0	0	0	111.2	A269 V270 L275 A276 G277 E289 V292	A269-V273 WeakPolarHBondContact O-CG2 3.48Å; A269-V273 PolarHBondContact O-N 3.02Å; V270-V273 PolarHBondContact O-N 3.22Å; V270-V273 VanDerWaalsContact O-N 3.15Å; V273-L275 VanDerWaalsContact C-N 3.33Å; V273-L275 PolarHBondContact O-N 3.34Å; V273-A276 WeakPolarHBondContact O-CB 3.19Å; V273-A276 PolarHBondContact O-N 3.43Å; V273-A276 VanDerWaalsContact O-N 3.14Å; V273-G277 PolarHBondContact O-N 3.17Å; V273-E289 HydrophobicContact CG1-CB 4Å; V273-E289 HydrophobicContact CG1-CG 3.67Å; V273-E289 VanDerWaalsContact CG1-OE2 3.29Å; V273-E289 WeakPolarHBondContact CG1-OE2 3.33Å; V273-E289 HydrophobicContact CG2-CB 4.45Å; V273-E289 HydrophobicContact CG2-CG 4.25Å; V273-V292 HydrophobicContact CG2-CB 3.91Å; V273-V292 HydrophobicContact CG2-CG1 3.76Å; V273-V292 HydrophobicContact CG2-CG2 4.41Å
274	V	97.9	Very high	97.3	Very high	96 Å²	96	60.4 Å²	60.4	58%	0.582	34%	0.338	S	S	*	.	H	α-helix	trans	-60.2	-43.9	178.5	173.6	0	0	0	0	111.2	V270 A276 G277 R278	V270-V274 HydrophobicContact CG1-CG2 4.46Å; V270-V274 WeakPolarHBondContact O-CG2 3.25Å; V270-V274 PolarHBondContact O-N 2.97Å; V274-A276 VanDerWaalsContact C-N 3.35Å; V274-A276 PolarHBondContact O-N 3Å; V274-G277 PolarHBondContact O-N 2.63Å; V274-R278 PolarHBondContact O-N 3.45Å; V274-R278 VanDerWaalsContact O-N 3.08Å
275	L	97.1	Very high	97.3	Very high	18 Å²	18	59.7 Å²	59.7	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-40.2	175.8	-74.9	176.2	0	0	0	112.7	R148 K271 V273 R278 E279	R148-L275 HydrophobicContact CB-CD1 4.47Å; R148-L275 HydrophobicContact CG-CD1 4.5Å; K271-L275 HydrophobicContact CD-CD1 4.1Å; K271-L275 HydrophobicContact CD-CG 4.24Å; K271-L275 HydrophobicContact CG-CD1 4.26Å; K271-L275 WeakPolarHBondContact O-CB 3.44Å; K271-L275 VanDerWaalsContact O-CG 3.29Å; K271-L275 WeakPolarHBondContact O-CG 3.46Å; K271-L275 PolarHBondContact O-N 3.32Å; V273-L275 VanDerWaalsContact C-N 3.33Å; V273-L275 PolarHBondContact O-N 3.34Å; L275-R278 VanDerWaalsContact CD2-CZ 3.43Å; L275-R278 PolarHBondContact O-N 3Å; L275-E279 PolarHBondContact O-N 2.91Å
276	A	97.2	Very high	97.4	Very high	9 Å²	9	59.8 Å²	59.8	7%	0.074	33%	0.331	C	S	.	.	H	α-helix	trans	-62.1	-46.2	176.7	0	0	0	0	0	111.4	K272 V273 V274 R278 E279 L280 T288	K272-A276 WeakPolarHBondContact O-CB 3.22Å; K272-A276 PolarHBondContact O-N 3.1Å; K272-A276 VanDerWaalsContact O-N 3.07Å; V273-A276 WeakPolarHBondContact O-CB 3.19Å; V273-A276 PolarHBondContact O-N 3.43Å; V273-A276 VanDerWaalsContact O-N 3.14Å; V274-A276 VanDerWaalsContact C-N 3.35Å; V274-A276 PolarHBondContact O-N 3Å; A276-R278 PolarHBondContact O-N 3.18Å; A276-E279 PolarHBondContact O-N 3.04Å; A276-L280 HydrophobicContact CB-CD1 4.11Å; A276-L280 VanDerWaalsContact O-CB 3.32Å; A276-L280 WeakPolarHBondContact O-CB 3.41Å; A276-L280 PolarHBondContact O-N 3.23Å; A276-T288 HydrophobicContact CB-CG2 3.68Å
277	G	97.1	Very high	97.4	Very high	52 Å²	52	60.7 Å²	60.7	54%	0.536	33%	0.331	S	S	.	.	H	α-helix	trans	-61.1	-29.6	175.3	0	0	0	0	0	113.7	V273 V274	V273-G277 PolarHBondContact O-N 3.17Å; V274-G277 PolarHBondContact O-N 2.63Å
278	R	94.3	Very high	97.3	Very high	72 Å²	72	61.4 Å²	61.4	27%	0.272	34%	0.336	S	S	.	.	H	α-helix	trans	-76	-40.8	176.8	-169.9	-175.7	70.2	-166.4	-0.7	112.9	L147 R204 V274 L275 A276	L147-R278 VanDerWaalsContact CG-NH2 3.25Å; R204-R278 PolarHBondContact NH1-O 2.81Å; V274-R278 PolarHBondContact O-N 3.45Å; V274-R278 VanDerWaalsContact O-N 3.08Å; L275-R278 VanDerWaalsContact CD2-CZ 3.43Å; L275-R278 PolarHBondContact O-N 3Å; A276-R278 PolarHBondContact O-N 3.18Å
279	E	94	Very high	97.3	Very high	67 Å²	67	63.9 Å²	63.9	31%	0.313	35%	0.348	S	S	.	.	H	α-helix	trans	-102.2	-22.5	-165.5	-65.8	-176.4	178.3	0	0	114.5	R148 L275 A276	R148-E279 IonicContact CZ-OE2 3.29Å; R148-E279 IonicContact NE-OE1 2.69Å; R148-E279 PolarHBondContact NE-OE1 3.48Å; R148-E279 IonicContact NE-OE2 3.47Å; R148-E279 PolarHBondContact NE-OE2 2.95Å; R148-E279 IonicContact NH2-OE1 3.63Å; R148-E279 IonicContact NH2-OE2 2.67Å; R148-E279 PolarHBondContact NH2-OE2 3.46Å; L275-E279 PolarHBondContact O-N 2.91Å; A276-E279 PolarHBondContact O-N 3.04Å
280	L	95.1	Very high	97.3	Very high	64 Å²	64	69.5 Å²	69.5	34%	0.335	37%	0.37	S	S	.	.	S	Bend	trans	-106.4	155.8	-174.1	-56.9	178.4	0	0	0	112.1	A276 E284 A285	A276-L280 HydrophobicContact CB-CD1 4.11Å; A276-L280 VanDerWaalsContact O-CB 3.32Å; A276-L280 WeakPolarHBondContact O-CB 3.41Å; A276-L280 PolarHBondContact O-N 3.23Å; L280-E284 HydrophobicContact CB-CB 4.03Å; L280-E284 HydrophobicContact CD1-CB 4.2Å; L280-A285 HydrophobicContact CB-CB 4.3Å
281	P	97.4	Very high	97.3	Very high	81 Å²	81	69.7 Å²	69.7	53%	0.526	37%	0.365	S	S	.	.			trans	-55.2	148.1	162.5	-22.2	33.7	0	0	0	111.1	L283 E284 A285	P281-L283 VanDerWaalsContact C-N 3.27Å; P281-L283 PolarHBondContact O-N 3.33Å; P281-L283 VanDerWaalsContact O-N 3.09Å; P281-E284 PolarHBondContact O-N 2.97Å; P281-A285 PolarHBondContact O-N 3.45Å
282	L	97.4	Very high	97.3	Very high	130 Å²	130	69.3 Å²	69.3	68%	0.681	36%	0.364	S	S	*	.	H	α-helix	trans	-50.6	-43.5	-171.5	179.6	61.3	0	0	0	113.6	E284 A285 L286	L282-E284 PolarHBondContact O-N 2.91Å; L282-A285 PolarHBondContact O-N 3.42Å; L282-L286 HydrophobicContact CD1-CD1 4.27Å; L282-L286 HydrophobicContact CD1-CG 4.19Å; L282-L286 HydrophobicContact CG-CD1 4.13Å; L282-L286 HydrophobicContact CG-CG 4.47Å; L282-L286 VanDerWaalsContact O-CG 3.31Å; L282-L286 WeakPolarHBondContact O-CG 3.26Å; L282-L286 PolarHBondContact O-N 3.25Å
283	L	97.9	Very high	97.3	Very high	142 Å²	142	71.3 Å²	71.3	74%	0.743	37%	0.373	S	S	*	.	H	α-helix	trans	-65.3	-38.8	-179	-64.5	-179.8	0	0	0	113	P281 Q287	P281-L283 VanDerWaalsContact C-N 3.27Å; P281-L283 PolarHBondContact O-N 3.33Å; P281-L283 VanDerWaalsContact O-N 3.09Å; L283-Q287 PolarHBondContact O-N 2.92Å; L283-Q287 VanDerWaalsContact O-N 3.11Å
284	E	97.9	Very high	97.3	Very high	109 Å²	109	72.2 Å²	72.2	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-72.3	-35.5	176.5	-68.9	179.6	-141.2	0	0	111.7	L280 P281 L282 Q287 T288	L280-E284 HydrophobicContact CB-CB 4.03Å; L280-E284 HydrophobicContact CD1-CB 4.2Å; P281-E284 PolarHBondContact O-N 2.97Å; L282-E284 PolarHBondContact O-N 2.91Å; E284-Q287 PolarHBondContact O-N 2.88Å; E284-T288 PolarHBondContact O-N 3.01Å; E284-T288 PolarHBondContact O-OG1 3.14Å
285	A	97.9	Very high	97.3	Very high	8 Å²	8	72.3 Å²	72.3	7%	0.066	39%	0.39	C	S	.	.	H	α-helix	trans	-62.4	-47.4	173.1	0	0	0	0	0	111.4	L280 P281 L282 Q287 T288 E289	L280-A285 HydrophobicContact CB-CB 4.3Å; P281-A285 PolarHBondContact O-N 3.45Å; L282-A285 PolarHBondContact O-N 3.42Å; A285-Q287 VanDerWaalsContact C-N 3.31Å; A285-Q287 PolarHBondContact O-N 3.29Å; A285-T288 WeakPolarHBondContact O-CB 3.41Å; A285-T288 PolarHBondContact O-N 3.07Å; A285-T288 VanDerWaalsContact O-N 3.13Å; A285-E289 PolarHBondContact O-N 3.24Å
286	L	98.3	Very high	97.3	Very high	84 Å²	84	73 Å²	73	44%	0.44	39%	0.394	S	S	.	.	H	α-helix	trans	-61.8	-37.4	176.8	-71.3	172.8	0	0	0	112.5	L282 E289 K290	L282-L286 HydrophobicContact CD1-CD1 4.27Å; L282-L286 HydrophobicContact CD1-CG 4.19Å; L282-L286 HydrophobicContact CG-CD1 4.13Å; L282-L286 HydrophobicContact CG-CG 4.47Å; L282-L286 VanDerWaalsContact O-CG 3.31Å; L282-L286 WeakPolarHBondContact O-CG 3.26Å; L282-L286 PolarHBondContact O-N 3.25Å; L286-E289 PolarHBondContact O-N 3.45Å; L286-K290 WeakPolarHBondContact O-CB 3.31Å; L286-K290 PolarHBondContact O-N 3.5Å
287	Q	98.1	Very high	97.3	Very high	73 Å²	73	80.3 Å²	80.3	34%	0.341	42%	0.42	S	S	.	.	H	α-helix	trans	-63.5	-45.2	173.8	179.6	60.2	30.2	0	0	111.1	L283 E284 A285 E289 K290 E291	L283-Q287 PolarHBondContact O-N 2.92Å; L283-Q287 VanDerWaalsContact O-N 3.11Å; E284-Q287 PolarHBondContact O-N 2.88Å; A285-Q287 VanDerWaalsContact C-N 3.31Å; A285-Q287 PolarHBondContact O-N 3.29Å; Q287-E289 VanDerWaalsContact C-N 3.34Å; Q287-E289 PolarHBondContact O-N 3.42Å; Q287-K290 PolarHBondContact O-N 3.32Å; Q287-K290 VanDerWaalsContact OE1-CE 3.26Å; Q287-E291 PolarHBondContact NE2-OE1 3.45Å; Q287-E291 WeakPolarHBondContact O-CG 3.32Å; Q287-E291 PolarHBondContact O-N 3Å; Q287-E291 VanDerWaalsContact O-N 3.08Å
288	T	97.6	Very high	97.3	Very high	28 Å²	28	79.6 Å²	79.6	17%	0.172	41%	0.412	C	S	.	.	H	α-helix	trans	-61.4	-43.3	176.2	-58.1	0	0	0	0	111.3	A276 E284 A285 E291 V292	A276-T288 HydrophobicContact CB-CG2 3.68Å; E284-T288 PolarHBondContact O-N 3.01Å; E284-T288 PolarHBondContact O-OG1 3.14Å; A285-T288 WeakPolarHBondContact O-CB 3.41Å; A285-T288 PolarHBondContact O-N 3.07Å; A285-T288 VanDerWaalsContact O-N 3.13Å; T288-E291 PolarHBondContact O-N 3.06Å; T288-V292 HydrophobicContact CG2-CG2 4.3Å; T288-V292 WeakPolarHBondContact O-CB 3.34Å; T288-V292 VanDerWaalsContact O-CG2 3.27Å; T288-V292 WeakPolarHBondContact O-CG2 3.43Å; T288-V292 PolarHBondContact O-N 3.22Å
289	E	98.2	Very high	97.4	Very high	96 Å²	96	77.4 Å²	77.4	45%	0.449	41%	0.41	S	S	.	.	H	α-helix	trans	-59	-50.1	178	-176.5	173.5	119.5	0	0	111.8	V273 A285 L286 Q287 E291 V292 F293	V273-E289 HydrophobicContact CG1-CB 4Å; V273-E289 HydrophobicContact CG1-CG 3.67Å; V273-E289 VanDerWaalsContact CG1-OE2 3.29Å; V273-E289 WeakPolarHBondContact CG1-OE2 3.33Å; V273-E289 HydrophobicContact CG2-CB 4.45Å; V273-E289 HydrophobicContact CG2-CG 4.25Å; A285-E289 PolarHBondContact O-N 3.24Å; L286-E289 PolarHBondContact O-N 3.45Å; Q287-E289 VanDerWaalsContact C-N 3.34Å; Q287-E289 PolarHBondContact O-N 3.42Å; E289-E291 VanDerWaalsContact C-N 3.34Å; E289-E291 PolarHBondContact O-N 2.97Å; E289-V292 PolarHBondContact O-N 3.34Å; E289-F293 WeakPolarHBondContact O-CB 3.31Å; E289-F293 PolarHBondContact O-N 2.94Å
290	K	98.3	Very high	97.5	Very high	130 Å²	130	78.9 Å²	78.9	57%	0.565	43%	0.426	S	S	*	.	H	α-helix	trans	-57.9	-44.3	176.6	179.7	-176.3	68.2	-165.8	0	112.4	L286 Q287 G294	L286-K290 WeakPolarHBondContact O-CB 3.31Å; L286-K290 PolarHBondContact O-N 3.5Å; Q287-K290 PolarHBondContact O-N 3.32Å; Q287-K290 VanDerWaalsContact OE1-CE 3.26Å; K290-G294 PolarHBondContact O-N 2.95Å; K290-G294 VanDerWaalsContact O-N 3.09Å
291	E	98.1	Very high	97.6	Very high	91 Å²	91	76.6 Å²	76.6	43%	0.425	42%	0.416	S	S	.	.	H	α-helix	trans	-64.4	-44.3	178.8	-74.1	175.6	-173.8	0	0	111.7	Q287 T288 E289 G294 T295	Q287-E291 PolarHBondContact NE2-OE1 3.45Å; Q287-E291 WeakPolarHBondContact O-CG 3.32Å; Q287-E291 PolarHBondContact O-N 3Å; Q287-E291 VanDerWaalsContact O-N 3.08Å; T288-E291 PolarHBondContact O-N 3.06Å; E289-E291 VanDerWaalsContact C-N 3.34Å; E289-E291 PolarHBondContact O-N 2.97Å; E291-G294 PolarHBondContact O-N 3.43Å; E291-T295 PolarHBondContact O-N 3.07Å
292	V	97.9	Very high	97.5	Very high	4 Å²	4	74.6 Å²	74.6	2%	0.024	40%	0.401	C	S	.	.	H	α-helix	trans	-65.7	-45.1	177.9	172.6	0	0	0	0	111	A269 K272 V273 T288 E289 G294 T295	A269-V292 HydrophobicContact CB-CG1 3.49Å; A269-V292 VanDerWaalsContact CB-CG1 3.49Å; K272-V292 HydrophobicContact CD-CG2 3.49Å; K272-V292 VanDerWaalsContact CD-CG2 3.49Å; K272-V292 HydrophobicContact CG-CG2 3.95Å; V273-V292 HydrophobicContact CG2-CB 3.91Å; V273-V292 HydrophobicContact CG2-CG1 3.76Å; V273-V292 HydrophobicContact CG2-CG2 4.41Å; T288-V292 HydrophobicContact CG2-CG2 4.3Å; T288-V292 WeakPolarHBondContact O-CB 3.34Å; T288-V292 VanDerWaalsContact O-CG2 3.27Å; T288-V292 WeakPolarHBondContact O-CG2 3.43Å; T288-V292 PolarHBondContact O-N 3.22Å; E289-V292 PolarHBondContact O-N 3.34Å; V292-G294 VanDerWaalsContact C-N 3.25Å; V292-G294 PolarHBondContact O-N 2.89Å; V292-T295 WeakPolarHBondContact O-CB 3.47Å; V292-T295 PolarHBondContact O-N 3.25Å; V292-T295 PolarHBondContact O-OG1 3.45Å
293	F	98.3	Very high	97.5	Very high	111 Å²	111	73.2 Å²	73.2	49%	0.487	39%	0.393	S	S	.	.	H	α-helix	trans	-52.9	-45	174.7	175	-93.4	0	0	0	111.7	E289 T295 V296 W297	E289-F293 WeakPolarHBondContact O-CB 3.31Å; E289-F293 PolarHBondContact O-N 2.94Å; F293-T295 PolarHBondContact O-N 3.01Å; F293-T295 VanDerWaalsContact O-N 3.16Å; F293-V296 VanDerWaalsContact O-CG2 3.28Å; F293-V296 WeakPolarHBondContact O-CG2 3.35Å; F293-V296 PolarHBondContact O-N 3.47Å; F293-V296 VanDerWaalsContact O-N 3.07Å; F293-W297 HydrophobicContact CD1-CB 4.4Å; F293-W297 HydrophobicContact CE1-CB 3.95Å; F293-W297 HydrophobicContact CE1-CD2 4.17Å; F293-W297 HydrophobicContact CE1-CE3 4.17Å; F293-W297 HydrophobicContact CE1-CG 4.09Å; F293-W297 AromaticContact CE2-CE3 3.91Å; F293-W297 HydrophobicContact CE2-CE3 3.91Å; F293-W297 HydrophobicContact CE2-CZ3 4.5Å; F293-W297 HydrophobicContact CZ-CB 4.15Å; F293-W297 AromaticContact CZ-CD2 3.79Å; F293-W297 HydrophobicContact CZ-CD2 3.79Å; F293-W297 AromaticContact CZ-CE3 3.34Å; F293-W297 HydrophobicContact CZ-CE3 3.34Å; F293-W297 HydrophobicContact CZ-CG 4.15Å; F293-W297 AromaticContact CZ-CZ3 3.99Å; F293-W297 HydrophobicContact CZ-CZ3 3.99Å; F293-W297 PolarHBondContact O-N 3.43Å
294	G	97.9	Very high	97.4	Very high	51 Å²	51	74.4 Å²	74.4	53%	0.526	39%	0.388	S	S	.	.	H	α-helix	trans	-59	-26.1	177.3	0	0	0	0	0	114.5	K290 E291 V292	K290-G294 PolarHBondContact O-N 2.95Å; K290-G294 VanDerWaalsContact O-N 3.09Å; E291-G294 PolarHBondContact O-N 3.43Å; V292-G294 VanDerWaalsContact C-N 3.25Å; V292-G294 PolarHBondContact O-N 2.89Å
295	T	96.9	Very high	97.2	Very high	99 Å²	99	71.5 Å²	71.5	61%	0.607	38%	0.382	S	S	*	.	H	α-helix	trans	-78.6	-21.3	177.2	67.8	0	0	0	0	114.1	E291 V292 F293	E291-T295 PolarHBondContact O-N 3.07Å; V292-T295 WeakPolarHBondContact O-CB 3.47Å; V292-T295 PolarHBondContact O-N 3.25Å; V292-T295 PolarHBondContact O-OG1 3.45Å; F293-T295 PolarHBondContact O-N 3.01Å; F293-T295 VanDerWaalsContact O-N 3.16Å
296	V	97.4	Very high	97	Very high	31 Å²	31	76 Å²	76	19%	0.188	41%	0.405	C	S	.	.	H	α-helix	trans	-107.3	-23.2	-177.3	-62.4	0	0	0	0	112.9	V266 A269 F293 G298 A299 N302	V266-V296 HydrophobicContact CG2-CG1 4.49Å; A269-V296 HydrophobicContact CB-CG1 3.89Å; F293-V296 VanDerWaalsContact O-CG2 3.28Å; F293-V296 WeakPolarHBondContact O-CG2 3.35Å; F293-V296 PolarHBondContact O-N 3.47Å; F293-V296 VanDerWaalsContact O-N 3.07Å; V296-G298 PolarHBondContact O-N 3.4Å; V296-A299 WeakPolarHBondContact O-CB 3.44Å; V296-A299 PolarHBondContact O-N 3.19Å; V296-N302 VanDerWaalsContact O-CB 3.28Å; V296-N302 WeakPolarHBondContact O-CB 3.43Å
297	W	97.3	Very high	96.7	Very high	164 Å²	164	74.8 Å²	74.8	62%	0.621	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	127	174.8	-173.9	-97.1	0	0	0	111.3	F293 A299	F293-W297 HydrophobicContact CD1-CB 4.4Å; F293-W297 HydrophobicContact CE1-CB 3.95Å; F293-W297 HydrophobicContact CE1-CD2 4.17Å; F293-W297 HydrophobicContact CE1-CE3 4.17Å; F293-W297 HydrophobicContact CE1-CG 4.09Å; F293-W297 AromaticContact CE2-CE3 3.91Å; F293-W297 HydrophobicContact CE2-CE3 3.91Å; F293-W297 HydrophobicContact CE2-CZ3 4.5Å; F293-W297 HydrophobicContact CZ-CB 4.15Å; F293-W297 AromaticContact CZ-CD2 3.79Å; F293-W297 HydrophobicContact CZ-CD2 3.79Å; F293-W297 AromaticContact CZ-CE3 3.34Å; F293-W297 HydrophobicContact CZ-CE3 3.34Å; F293-W297 HydrophobicContact CZ-CG 4.15Å; F293-W297 AromaticContact CZ-CZ3 3.99Å; F293-W297 HydrophobicContact CZ-CZ3 3.99Å; F293-W297 PolarHBondContact O-N 3.43Å; W297-A299 PolarHBondContact O-N 3.46Å; W297-A299 VanDerWaalsContact O-N 3.16Å
298	G	96.4	Very high	96.2	Very high	36 Å²	36	74.7 Å²	74.7	37%	0.371	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	0.2	-176	0	0	0	0	0	115	V296 N302 L303	V296-G298 PolarHBondContact O-N 3.4Å; G298-N302 PolarHBondContact N-OD1 2.97Å; G298-L303 WeakPolarHBondContact O-CD1 3.44Å; G298-L303 WeakPolarHBondContact O-CG 3.47Å
299	A	97.2	Very high	94.9	Very high	27 Å²	27	80.9 Å²	80.9	22%	0.223	44%	0.439	C	S	.	.	S	Bend	trans	-68	162.3	173.9	0	0	0	0	0	111.2	V296 W297 A301 N302 L303	V296-A299 WeakPolarHBondContact O-CB 3.44Å; V296-A299 PolarHBondContact O-N 3.19Å; W297-A299 PolarHBondContact O-N 3.46Å; W297-A299 VanDerWaalsContact O-N 3.16Å; A299-A301 PolarHBondContact O-N 3.32Å; A299-N302 WeakPolarHBondContact O-CB 3.41Å; A299-N302 PolarHBondContact O-N 2.96Å; A299-L303 PolarHBondContact O-N 3.28Å
300	P	97.2	Very high	93	Very high	98 Å²	98	80 Å²	80	64%	0.636	44%	0.444	S	S	*	.	H	α-helix	trans	-54.4	-31.9	-176.6	-29.1	35.7	0	0	0	114.9	R304	P300-R304 WeakPolarHBondContact O-CB 3.4Å; P300-R304 VanDerWaalsContact O-CG 3.26Å; P300-R304 WeakPolarHBondContact O-CG 3.36Å; P300-R304 PolarHBondContact O-N 2.98Å; P300-R304 PolarHBondContact O-NE 3.45Å; P300-R304 VanDerWaalsContact O-NE 3.13Å
301	A	95.6	Very high	90.8	Very high	16 Å²	16	82.5 Å²	82.5	13%	0.132	45%	0.454	C	S	.	.	H	α-helix	trans	-65.7	-45.9	173.9	0	0	0	0	0	112.6	P263 V266 A299 A305	P263-A301 HydrophobicContact CB-CB 3.7Å; P263-A301 HydrophobicContact CG-CB 3.7Å; V266-A301 HydrophobicContact CG2-CB 4.14Å; A299-A301 PolarHBondContact O-N 3.32Å; A301-A305 PolarHBondContact O-N 3.34Å; A301-A305 VanDerWaalsContact O-N 3.15Å
302	N	96.8	Very high	88.5	Confident	39 Å²	39	86.4 Å²	86.4	21%	0.209	47%	0.472	C	S	.	.	H	α-helix	trans	-67	-46.2	-179.8	175.4	-111.2	0	0	0	111.4	V296 G298 A299 R304 A305 L306	V296-N302 VanDerWaalsContact O-CB 3.28Å; V296-N302 WeakPolarHBondContact O-CB 3.43Å; G298-N302 PolarHBondContact N-OD1 2.97Å; A299-N302 WeakPolarHBondContact O-CB 3.41Å; A299-N302 PolarHBondContact O-N 2.96Å; N302-R304 PolarHBondContact O-N 2.81Å; N302-A305 PolarHBondContact O-N 2.91Å; N302-L306 WeakPolarHBondContact O-CG 3.44Å; N302-L306 PolarHBondContact O-N 3.04Å
303	L	96.5	Very high	86	Confident	100 Å²	100	98.5 Å²	98.5	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-60.6	-42.9	178.2	-64.6	177.4	0	0	0	112.3	G298 A299 A305 L306 A307	G298-L303 WeakPolarHBondContact O-CD1 3.44Å; G298-L303 WeakPolarHBondContact O-CG 3.47Å; A299-L303 PolarHBondContact O-N 3.28Å; L303-A305 VanDerWaalsContact C-N 3.35Å; L303-A305 PolarHBondContact O-N 3.48Å; L303-L306 PolarHBondContact O-N 3.35Å; L303-A307 WeakPolarHBondContact O-CB 3.44Å; L303-A307 PolarHBondContact O-N 3.04Å
304	R	94.9	Very high	85.4	Confident	168 Å²	168	97.9 Å²	97.9	63%	0.634	53%	0.527	S	S	*	.	H	α-helix	trans	-60.9	-42.6	175.2	-78	-175.7	-68.2	160.6	-5.1	112.3	P300 N302 A307 S308	P300-R304 WeakPolarHBondContact O-CB 3.4Å; P300-R304 VanDerWaalsContact O-CG 3.26Å; P300-R304 WeakPolarHBondContact O-CG 3.36Å; P300-R304 PolarHBondContact O-N 2.98Å; P300-R304 PolarHBondContact O-NE 3.45Å; P300-R304 VanDerWaalsContact O-NE 3.13Å; N302-R304 PolarHBondContact O-N 2.81Å; R304-A307 PolarHBondContact O-N 3.28Å; R304-S308 PolarHBondContact O-N 3.41Å
305	A	93.7	Very high	84.7	Confident	47 Å²	47	100.4 Å²	100.4	39%	0.388	53%	0.527	S	S	.	.	H	α-helix	trans	-66.9	-36.3	178.8	0	0	0	0	0	112.9	A301 N302 L303 S308 K309	A301-A305 PolarHBondContact O-N 3.34Å; A301-A305 VanDerWaalsContact O-N 3.15Å; N302-A305 PolarHBondContact O-N 2.91Å; L303-A305 VanDerWaalsContact C-N 3.35Å; L303-A305 PolarHBondContact O-N 3.48Å; A305-S308 PolarHBondContact O-OG 3.17Å; A305-S308 VanDerWaalsContact O-OG 3.06Å; A305-K309 PolarHBondContact O-N 3.02Å
306	L	93.9	Very high	84.1	Confident	102 Å²	102	100.4 Å²	100.4	53%	0.534	52%	0.522	S	S	.	.	H	α-helix	trans	-68.4	-38.1	174.7	-68.4	174.6	0	0	0	111.7	N302 L303 S310	N302-L306 WeakPolarHBondContact O-CG 3.44Å; N302-L306 PolarHBondContact O-N 3.04Å; L303-L306 PolarHBondContact O-N 3.35Å; L306-S310 PolarHBondContact O-N 3.18Å
307	A	92.7	Very high	83.3	Confident	59 Å²	59	104.5 Å²	104.5	49%	0.488	54%	0.542	S	S	.	.	H	α-helix	trans	-72.4	-29.2	178.6	0	0	0	0	0	113.9	L303 R304 S310	L303-A307 WeakPolarHBondContact O-CB 3.44Å; L303-A307 PolarHBondContact O-N 3.04Å; R304-A307 PolarHBondContact O-N 3.28Å; A307-S310 PolarHBondContact O-OG 2.61Å
308	S	86.7	Confident	82.4	Confident	72 Å²	72	100.8 Å²	100.8	50%	0.503	54%	0.537	S	S	.	.	H	α-helix	trans	-74.7	-31.6	176.8	63.1	0	0	0	0	112.7	R304 A305	R304-S308 PolarHBondContact O-N 3.41Å; A305-S308 PolarHBondContact O-OG 3.17Å; A305-S308 VanDerWaalsContact O-OG 3.06Å
309	K	71.6	Confident	81.5	Confident	158 Å²	158	105.1 Å²	105.1	69%	0.687	55%	0.548	S	S	*	.	H	α-helix	trans	-80.8	-16.7	-179.2	-71.5	-170.9	177.4	-171.9	0	114.6	A305 K311 H312	A305-K309 PolarHBondContact O-N 3.02Å; K309-K311 PolarHBondContact O-N 3.13Å; K309-H312 PolarHBondContact O-N 2.91Å
310	S	57.3	Low	80.3	Confident	78 Å²	78	110.7 Å²	110.7	55%	0.545	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-67.8	-12.8	175.7	60.5	0	0	0	0	113.7	L306 A307 H312	L306-S310 PolarHBondContact O-N 3.18Å; A307-S310 PolarHBondContact O-OG 2.61Å; S310-H312 VanDerWaalsContact C-N 3.28Å; S310-H312 PolarHBondContact O-N 2.79Å
311	K	51.9	Low	79.1	Confident	181 Å²	181	111.7 Å²	111.7	79%	0.787	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-78.5	-2.4	175.4	-66.1	-172.3	177.1	-175	0	114.9	K309	K309-K311 PolarHBondContact O-N 3.13Å
312	H	51.5	Low	77.7	Confident	173 Å²	173	119.7 Å²	119.7	80%	0.801	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-107.3	21.7	176.8	-67.9	-64.2	0	0	0	113.3	K309 S310	K309-H312 PolarHBondContact O-N 2.91Å; S310-H312 VanDerWaalsContact C-N 3.28Å; S310-H312 PolarHBondContact O-N 2.79Å
313	K	44.6	Very low	75.9	Confident	259 Å²	259	127 Å²	127	100%	1.126	64%	0.638	S	S	*	*			trans	-108.9	0	169.8	-82.7	-168.7	175.3	-173.4	0	110.8

Retrieved 313 of 313 residues in 671 ms (Link to these results)

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