A0A096MV85_PAPAN 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 (A0A2I3MS70), UniProt , Accession A0A096MV85, Species PAPAN (Papio anubis, Olive baboon), Gene ECHDC1, Length 307 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	47.9	Very low	38.9	Very low	205 Å²	205	132.4 Å²	132.4	100%	1.01	68%	0.677	S	S	*	*				0	-45.4	0	-96	169	73.3	0	0	112.8	L3 R4	M1-L3 PolarHBondContact O-N 2.84Å; M1-R4 PolarHBondContact O-N 2.89Å
2	A	41.2	Very low	39.2	Very low	70 Å²	70	132.3 Å²	132.3	58%	0.579	68%	0.677	S	S	*	*	H	α-helix	trans	-58.7	-45.5	-179.4	0	0	0	0	0	114.7	R4 Q5 E6	A2-R4 VanDerWaalsContact C-N 3.28Å; A2-R4 PolarHBondContact O-N 3.27Å; A2-Q5 PolarHBondContact O-N 3.31Å; A2-Q5 VanDerWaalsContact O-N 3.14Å; A2-E6 PolarHBondContact O-N 3.43Å; A2-E6 VanDerWaalsContact O-N 3.12Å
3	L	36.8	Very low	39.4	Very low	133 Å²	133	135.5 Å²	135.5	70%	0.696	68%	0.684	S	S	*	*	H	α-helix	trans	-60.2	-31.4	-179.2	-116.9	91.7	0	0	0	114.5	M1 M7	M1-L3 PolarHBondContact O-N 2.84Å; L3-M7 PolarHBondContact O-N 3.23Å; L3-M7 VanDerWaalsContact O-N 3.15Å
4	R	39.5	Very low	39.9	Very low	219 Å²	219	134.9 Å²	134.9	83%	0.826	69%	0.691	S	S	*	*	H	α-helix	trans	-75.2	-34.1	178.5	-78.9	-172.2	178.6	-168.9	-0.7	112.3	M1 A2 E6 A8	M1-R4 PolarHBondContact O-N 2.89Å; A2-R4 VanDerWaalsContact C-N 3.28Å; A2-R4 PolarHBondContact O-N 3.27Å; R4-E6 VanDerWaalsContact C-N 3.33Å; R4-A8 WeakPolarHBondContact O-CB 3.43Å; R4-A8 PolarHBondContact O-N 3.27Å
5	Q	39.4	Very low	40	Very low	134 Å²	134	130.8 Å²	130.8	63%	0.626	68%	0.679	S	S	*	*	H	α-helix	trans	-72.5	-29.8	174.8	-75.5	-177.7	-19.9	0	0	111.9	A2 K9	A2-Q5 PolarHBondContact O-N 3.31Å; A2-Q5 VanDerWaalsContact O-N 3.14Å; Q5-K9 PolarHBondContact O-N 3.23Å
6	E	34.8	Very low	40.3	Very low	132 Å²	132	130 Å²	130	62%	0.617	69%	0.688	S	S	*	*	H	α-helix	trans	-76	-41.3	179.6	-143.9	168.4	-169.5	0	0	112.2	A2 R4 K9 S10	A2-E6 PolarHBondContact O-N 3.43Å; A2-E6 VanDerWaalsContact O-N 3.12Å; R4-E6 VanDerWaalsContact C-N 3.33Å; E6-K9 PolarHBondContact O-N 3.35Å; E6-S10 WeakPolarHBondContact O-CB 3.35Å; E6-S10 PolarHBondContact O-N 2.84Å
7	M	38.4	Very low	40.6	Very low	128 Å²	128	125.6 Å²	125.6	63%	0.631	67%	0.665	S	S	*	*	H	α-helix	trans	-64	-39.3	171.8	-75.2	-175.2	86	0	0	112.6	L3 K9 S10 L11	L3-M7 PolarHBondContact O-N 3.23Å; L3-M7 VanDerWaalsContact O-N 3.15Å; M7-K9 VanDerWaalsContact C-N 3.32Å; M7-K9 PolarHBondContact O-N 3.47Å; M7-S10 PolarHBondContact O-N 3.01Å; M7-L11 WeakPolarHBondContact O-CG 3.42Å; M7-L11 PolarHBondContact O-N 2.73Å; M7-L11 VanDerWaalsContact O-N 3.1Å
8	A	38.8	Very low	40.7	Very low	57 Å²	57	123.5 Å²	123.5	47%	0.471	66%	0.659	S	S	.	*	H	α-helix	trans	-63.5	-35.9	176.5	0	0	0	0	0	112.7	R4	R4-A8 WeakPolarHBondContact O-CB 3.43Å; R4-A8 PolarHBondContact O-N 3.27Å
9	K	37.2	Very low	40.9	Very low	158 Å²	158	119.9 Å²	119.9	69%	0.687	65%	0.654	S	S	*	*	H	α-helix	trans	-75.6	-28.6	175	-80.4	177.3	175.6	177.4	0	113.5	Q5 E6 M7	Q5-K9 PolarHBondContact O-N 3.23Å; E6-K9 PolarHBondContact O-N 3.35Å; M7-K9 VanDerWaalsContact C-N 3.32Å; M7-K9 PolarHBondContact O-N 3.47Å
10	S	35.9	Very low	41.1	Very low	84 Å²	84	125 Å²	125	59%	0.587	66%	0.663	S	S	*	*	H	α-helix	trans	-73.9	-37.8	178.3	172.5	0	0	0	0	112.4	E6 M7 L12 K13	E6-S10 WeakPolarHBondContact O-CB 3.35Å; E6-S10 PolarHBondContact O-N 2.84Å; M7-S10 PolarHBondContact O-N 3.01Å; S10-L12 VanDerWaalsContact C-N 3.3Å; S10-L12 PolarHBondContact O-N 2.91Å; S10-K13 PolarHBondContact O-N 3.18Å
11	L	38.6	Very low	41.2	Very low	136 Å²	136	119.6 Å²	119.6	71%	0.712	64%	0.635	S	S	*	*	H	α-helix	trans	-70.3	-21.7	179.5	-72.7	162.8	0	0	0	113.9	M7 K13	M7-L11 WeakPolarHBondContact O-CG 3.42Å; M7-L11 PolarHBondContact O-N 2.73Å; M7-L11 VanDerWaalsContact O-N 3.1Å; L11-K13 VanDerWaalsContact C-N 3.26Å; L11-K13 PolarHBondContact O-N 3.07Å
12	L	41.8	Very low	41.1	Very low	131 Å²	131	115.4 Å²	115.4	69%	0.686	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-5.5	176.3	-73.6	165.4	0	0	0	113.7	S10	S10-L12 VanDerWaalsContact C-N 3.3Å; S10-L12 PolarHBondContact O-N 2.91Å
13	K	42.4	Very low	41.3	Very low	175 Å²	175	117.2 Å²	117.2	76%	0.761	61%	0.611	S	S	*	*	S	Bend	trans	-116.8	76.3	179.9	-71.2	-173.9	179	-178.8	0	110.4	S10 L11	S10-K13 PolarHBondContact O-N 3.18Å; L11-K13 VanDerWaalsContact C-N 3.26Å; L11-K13 PolarHBondContact O-N 3.07Å
14	T	45.5	Very low	42	Very low	127 Å²	127	113.5 Å²	113.5	78%	0.779	59%	0.591	S	S	*	*			trans	-178.4	99.6	151.4	21.5	0	0	0	0	111
15	S	41.6	Very low	42.6	Very low	73 Å²	73	106.1 Å²	106.1	51%	0.51	57%	0.566	S	S	.	*			trans	-173.6	115.2	134.8	56	0	0	0	0	109	L17	S15-L17 PolarHBondContact O-N 2.79Å
16	S	44.6	Very low	43.6	Very low	118 Å²	118	105.6 Å²	105.6	83%	0.825	56%	0.563	S	S	*	*			trans	-85.4	87.1	171.8	53.9	0	0	0	0	108.8
17	L	45.9	Very low	45.1	Very low	56 Å²	56	102.8 Å²	102.8	29%	0.293	56%	0.556	S	S	.	*			trans	-63.9	150.9	172.6	-72.3	159.8	0	0	0	111.7	S15 T21 K22 E277	S15-L17 PolarHBondContact O-N 2.79Å; L17-T21 HydrophobicContact CD1-CG2 4.42Å; L17-T21 HydrophobicContact CD2-CG2 4.32Å; L17-K22 HydrophobicContact CB-CG 4.36Å; L17-E277 HydrophobicContact CD2-CG 3.72Å; L17-E277 VanDerWaalsContact CD2-OE1 3.31Å; L17-E277 WeakPolarHBondContact CD2-OE1 3.24Å
18	P	43.1	Very low	46.5	Very low	87 Å²	87	98.2 Å²	98.2	57%	0.565	54%	0.541	S	S	*	.			trans	-56.2	146.6	168.4	-16.3	28.7	0	0	0	110.6	R20 T21	P18-R20 PolarHBondContact O-N 3.48Å; P18-T21 PolarHBondContact O-N 3.43Å
19	G	44.6	Very low	48.4	Very low	55 Å²	55	98.1 Å²	98.1	57%	0.567	53%	0.533	S	S	*	.	H	α-helix	trans	-56.2	-24.6	-174.7	0	0	0	0	0	115.5
20	R	43.5	Very low	50.5	Low	222 Å²	222	92.6 Å²	92.6	84%	0.838	51%	0.514	S	S	*	.	H	α-helix	trans	-67.7	-37.6	176.1	-89.1	-175.9	172.3	179.5	-2.2	113.3	P18	P18-R20 PolarHBondContact O-N 3.48Å
21	T	44.8	Very low	52.8	Low	12 Å²	12	91.1 Å²	91.1	7%	0.074	50%	0.499	C	S	.	.	H	α-helix	trans	-73.1	-33.7	-178.4	-39.3	0	0	0	0	111.8	L17 P18 L23 L24 H25 L273 E277	L17-T21 HydrophobicContact CD1-CG2 4.42Å; L17-T21 HydrophobicContact CD2-CG2 4.32Å; P18-T21 PolarHBondContact O-N 3.43Å; T21-L23 VanDerWaalsContact C-N 3.26Å; T21-L23 PolarHBondContact O-N 3.36Å; T21-L24 PolarHBondContact O-N 3.11Å; T21-H25 PolarHBondContact O-CD2 3.49Å; T21-L273 HydrophobicContact CG2-CD2 3.94Å; T21-E277 VanDerWaalsContact CB-OE1 3.24Å; T21-E277 WeakPolarHBondContact CB-OE1 3.49Å; T21-E277 HydrophobicContact CG2-CB 4.24Å; T21-E277 HydrophobicContact CG2-CG 4.09Å; T21-E277 WeakPolarHBondContact CG2-OE1 3.37Å; T21-E277 WeakPolarHBondContact CG2-OE2 3.36Å; T21-E277 PolarHBondContact OG1-OE1 3.1Å
22	K	44.8	Very low	55.2	Low	117 Å²	117	86.9 Å²	86.9	51%	0.509	47%	0.474	S	S	.	.	H	α-helix	trans	-64.1	-27.5	178.6	-73.8	-175.9	177.7	-180	0	113.8	L17	L17-K22 HydrophobicContact CB-CG 4.36Å
23	L	46.4	Very low	57.3	Low	107 Å²	107	83 Å²	83	56%	0.56	46%	0.458	S	S	*	.	H	α-helix	trans	-77.8	-25.4	-177.9	-72	163.8	0	0	0	113.1	T21 H25 L29	T21-L23 VanDerWaalsContact C-N 3.26Å; T21-L23 PolarHBondContact O-N 3.36Å; L23-H25 VanDerWaalsContact C-N 3.26Å; L23-H25 PolarHBondContact O-N 3.46Å; L23-L29 HydrophobicContact CD2-CD1 3.65Å
24	L	50	Low	59.2	Low	56 Å²	56	79.2 Å²	79.2	29%	0.293	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.4	-175.9	-69.5	166.6	0	0	0	113.3	T21 L273	T21-L24 PolarHBondContact O-N 3.11Å; L24-L273 HydrophobicContact CB-CD2 4.46Å; L24-L273 HydrophobicContact CD1-CD2 3.94Å
25	H	52.4	Low	61.1	Low	63 Å²	63	77.9 Å²	77.9	29%	0.292	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-8.4	-169.5	-71.5	-59.3	0	0	0	116.6	T21 L23 T27 S269 L273	T21-H25 PolarHBondContact O-CD2 3.49Å; L23-H25 VanDerWaalsContact C-N 3.26Å; L23-H25 PolarHBondContact O-N 3.46Å; H25-T27 PolarHBondContact O-N 2.9Å; H25-S269 PolarHBondContact CE1-OG 3.46Å; H25-L273 WeakPolarHBondContact CE1-CD1 3.37Å; H25-L273 WeakPolarHBondContact NE2-CD1 3.48Å; H25-L273 VanDerWaalsContact NE2-CD2 3.32Å; H25-L273 WeakPolarHBondContact NE2-CD2 3.41Å
26	Q	59.9	Low	63.3	Low	123 Å²	123	79.5 Å²	79.5	58%	0.575	45%	0.445	S	S	*	.			trans	-86.7	106.2	178.5	-67.6	-175.4	5.7	0	0	108.6	G28 L29	Q26-G28 PolarHBondContact O-N 3.3Å; Q26-L29 HydrophobicContact CB-CB 4.39Å; Q26-L29 HydrophobicContact CB-CD1 3.54Å; Q26-L29 HydrophobicContact CB-CG 3.57Å; Q26-L29 HydrophobicContact CG-CD1 4.13Å; Q26-L29 PolarHBondContact O-N 3.39Å; Q26-L29 VanDerWaalsContact O-N 3.09Å
27	T	66.8	Low	65.2	Low	74 Å²	74	76.1 Å²	76.1	45%	0.454	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.9	131.4	163	-43.6	0	0	0	0	108.8	H25 E94	H25-T27 PolarHBondContact O-N 2.9Å; T27-E94 HydrophobicContact CG2-CB 3.62Å; T27-E94 HydrophobicContact CG2-CG 3.48Å; T27-E94 VanDerWaalsContact CG2-CG 3.48Å
28	G	68.1	Low	67.2	Low	32 Å²	32	73.8 Å²	73.8	33%	0.33	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-8.3	179.1	0	0	0	0	0	116.5	Q26 E94	Q26-G28 PolarHBondContact O-N 3.3Å; G28-E94 WeakPolarHBondContact CA-OE2 3.47Å; G28-E94 PolarHBondContact N-OE1 2.94Å
29	L	77.8	Confident	69.5	Low	55 Å²	55	75.4 Å²	75.4	29%	0.288	41%	0.412	S	S	.	.			trans	-77.3	138.4	173.4	-74.7	-171.5	0	0	0	112.3	L23 Q26	L23-L29 HydrophobicContact CD2-CD1 3.65Å; Q26-L29 HydrophobicContact CB-CB 4.39Å; Q26-L29 HydrophobicContact CB-CD1 3.54Å; Q26-L29 HydrophobicContact CB-CG 3.57Å; Q26-L29 HydrophobicContact CG-CD1 4.13Å; Q26-L29 PolarHBondContact O-N 3.39Å; Q26-L29 VanDerWaalsContact O-N 3.09Å
30	S	82.8	Confident	71.6	Confident	41 Å²	41	75.1 Å²	75.1	29%	0.287	40%	0.395	S	S	.	.			trans	-72.2	139.6	171.6	-178.7	0	0	0	0	111.2	Y32 N138	S30-Y32 VanDerWaalsContact CB-O 3.31Å; S30-Y32 WeakPolarHBondContact CB-O 3.33Å; S30-Y32 PolarHBondContact O-N 3.23Å; S30-Y32 PolarHBondContact OG-N 3.02Å; S30-Y32 PolarHBondContact OG-O 2.81Å; S30-N138 WeakPolarHBondContact CA-OD1 3.47Å; S30-N138 PolarHBondContact OG-ND2 3.28Å; S30-N138 PolarHBondContact OG-OD1 3.5Å
31	L	83.6	Confident	73.9	Confident	54 Å²	54	70.7 Å²	70.7	28%	0.283	38%	0.384	S	S	.	.	S	Bend	trans	-63.8	-29.6	169.2	-71.5	-175.5	0	0	0	112.6	N138 T141	L31-N138 PolarHBondContact N-OD1 2.48Å; L31-T141 HydrophobicContact CD1-CG2 3.82Å; L31-T141 WeakPolarHBondContact CD1-OG1 3.49Å; L31-T141 HydrophobicContact CD2-CG2 4.08Å; L31-T141 HydrophobicContact CG-CG2 4.23Å
32	Y	88.1	Confident	76.1	Confident	46 Å²	46	75.8 Å²	75.8	18%	0.18	41%	0.407	C	S	.	.			trans	-120	153.9	-174.7	-53	-68	0	0	0	111.2	S30 H36 M134 Q137 N138	S30-Y32 VanDerWaalsContact CB-O 3.31Å; S30-Y32 WeakPolarHBondContact CB-O 3.33Å; S30-Y32 PolarHBondContact O-N 3.23Å; S30-Y32 PolarHBondContact OG-N 3.02Å; S30-Y32 PolarHBondContact OG-O 2.81Å; Y32-H36 HydrophobicContact CD1-CB 4.23Å; Y32-M134 HydrophobicContact CD1-CE 3.43Å; Y32-M134 VanDerWaalsContact CD1-CE 3.43Å; Y32-M134 HydrophobicContact CD2-CB 3.66Å; Y32-M134 HydrophobicContact CD2-CE 4.24Å; Y32-M134 HydrophobicContact CD2-CG 4.18Å; Y32-M134 WeakPolarHBondContact CD2-O 3.21Å; Y32-M134 HydrophobicContact CE1-CE 4.1Å; Y32-M134 HydrophobicContact CE1-CG 4.49Å; Y32-M134 HydrophobicContact CE2-CB 3.87Å; Y32-M134 HydrophobicContact CE2-CG 4.21Å; Y32-M134 WeakPolarHBondContact CE2-O 3.33Å; Y32-M134 HydrophobicContact CG-CB 4.19Å; Y32-M134 HydrophobicContact CG-CE 3.52Å; Y32-M134 HydrophobicContact CG-CG 4.36Å; Y32-Q137 HydrophobicContact CE2-CB 4Å; Y32-Q137 PolarHBondContact OH-OE1 3.47Å; Y32-N138 HydrophobicContact CD2-CB 4.15Å; Y32-N138 HydrophobicContact CE2-CB 4.37Å
33	S	85.9	Confident	78.3	Confident	50 Å²	50	70.7 Å²	70.7	35%	0.35	39%	0.386	S	S	.	.			trans	-141.8	178.7	179.5	63	0	0	0	0	109.2	S35 H36 F38	S33-S35 PolarHBondContact O-N 2.86Å; S33-S35 VanDerWaalsContact O-N 3.14Å; S33-S35 PolarHBondContact OG-N 3.46Å; S33-S35 PolarHBondContact OG-OG 2.91Å; S33-H36 PolarHBondContact N-ND1 3.28Å; S33-H36 WeakPolarHBondContact O-CA 3.49Å; S33-H36 WeakPolarHBondContact O-CB 3.48Å; S33-H36 PolarHBondContact O-N 3.5Å; S33-H36 PolarHBondContact OG-ND1 2.93Å; S33-F38 CarbonylContact C-O 3.39Å; S33-F38 PolarHBondContact O-N 3.4Å
34	T	83.6	Confident	80.5	Confident	96 Å²	96	68.1 Å²	68.1	59%	0.589	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-57.2	-27.8	175.5	52.5	0	0	0	0	113.1	H36 G37 F38 Y39	T34-H36 PolarHBondContact O-N 3.46Å; T34-G37 PolarHBondContact O-N 3.48Å; T34-F38 PolarHBondContact N-O 2.6Å; T34-Y39 HydrophobicContact CG2-CD1 4.04Å; T34-Y39 HydrophobicContact CG2-CE1 4.04Å
35	S	85.4	Confident	82.5	Confident	99 Å²	99	72.9 Å²	72.9	69%	0.692	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-66.2	-18.9	174.4	67.9	0	0	0	0	113.5	S33	S33-S35 PolarHBondContact O-N 2.86Å; S33-S35 VanDerWaalsContact O-N 3.14Å; S33-S35 PolarHBondContact OG-N 3.46Å; S33-S35 PolarHBondContact OG-OG 2.91Å
36	H	86.9	Confident	84.3	Confident	107 Å²	107	74 Å²	74	50%	0.495	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-94.4	1.6	174.5	-57.1	86.2	0	0	0	112.2	Y32 S33 T34 F38 M134	Y32-H36 HydrophobicContact CD1-CB 4.23Å; S33-H36 PolarHBondContact N-ND1 3.28Å; S33-H36 WeakPolarHBondContact O-CA 3.49Å; S33-H36 WeakPolarHBondContact O-CB 3.48Å; S33-H36 PolarHBondContact O-N 3.5Å; S33-H36 PolarHBondContact OG-ND1 2.93Å; T34-H36 PolarHBondContact O-N 3.46Å; H36-F38 VanDerWaalsContact C-N 3.28Å; H36-M134 HydrophobicContact CB-CE 3.6Å; H36-M134 WeakPolarHBondContact O-CE 3.36Å
37	G	85	Confident	85.9	Confident	47 Å²	47	68.2 Å²	68.2	49%	0.485	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	14.3	-169.3	0	0	0	0	0	113.8	T34 Y39	T34-G37 PolarHBondContact O-N 3.48Å; G37-Y39 WeakPolarHBondContact O-CD2 3.43Å
38	F	88.6	Confident	87.2	Confident	6 Å²	6	71 Å²	71	3%	0.026	37%	0.374	C	S	.	.			trans	-91.2	108.2	177.3	-172.8	-120.6	0	0	0	111.3	S33 T34 H36 E40 V43 M134 F135	S33-F38 CarbonylContact C-O 3.39Å; S33-F38 PolarHBondContact O-N 3.4Å; T34-F38 PolarHBondContact N-O 2.6Å; H36-F38 VanDerWaalsContact C-N 3.28Å; F38-E40 HydrophobicContact CD1-CB 4.18Å; F38-E40 HydrophobicContact CE1-CB 3.58Å; F38-E40 HydrophobicContact CE1-CG 3.79Å; F38-E40 HydrophobicContact CZ-CB 3.94Å; F38-E40 HydrophobicContact CZ-CG 3.89Å; F38-V43 HydrophobicContact CD2-CG2 4.38Å; F38-V43 HydrophobicContact CE2-CG2 4.02Å; F38-M134 HydrophobicContact CB-CE 3.6Å; F38-M134 HydrophobicContact CB-SD 4.27Å; F38-M134 HydrophobicContact CD2-CB 3.7Å; F38-M134 HydrophobicContact CD2-SD 4.33Å; F38-M134 HydrophobicContact CE2-CB 4Å; F38-M134 HydrophobicContact CG-CB 4.45Å; F38-M134 HydrophobicContact CG-CE 4.34Å; F38-F135 HydrophobicContact CE2-CB 4.14Å; F38-F135 HydrophobicContact CZ-CB 4.32Å; F38-F135 HydrophobicContact CZ-CD2 4.2Å
39	Y	89.6	Confident	88.3	Confident	122 Å²	122	75.7 Å²	75.7	48%	0.478	39%	0.387	S	S	.	.			trans	-104.5	80.1	175.5	-59.4	-86.5	0	0	0	109.2	T34 G37 E41 E42 V43	T34-Y39 HydrophobicContact CG2-CD1 4.04Å; T34-Y39 HydrophobicContact CG2-CE1 4.04Å; G37-Y39 WeakPolarHBondContact O-CD2 3.43Å; Y39-E41 VanDerWaalsContact C-N 3.29Å; Y39-E41 PolarHBondContact O-N 3.02Å; Y39-E41 VanDerWaalsContact O-N 3.15Å; Y39-E42 WeakPolarHBondContact O-CB 3.31Å; Y39-E42 PolarHBondContact O-N 3.23Å; Y39-V43 WeakPolarHBondContact O-CG2 3.48Å; Y39-V43 PolarHBondContact O-N 3.4Å; Y39-V43 VanDerWaalsContact O-N 3.13Å
40	E	88.8	Confident	89	Confident	48 Å²	48	74.7 Å²	74.7	22%	0.224	38%	0.38	C	S	.	.	H	α-helix	trans	-49.6	-45.7	-168.6	-170.1	177.1	149.5	0	0	113.5	F38 E42 V43 K44	F38-E40 HydrophobicContact CD1-CB 4.18Å; F38-E40 HydrophobicContact CE1-CB 3.58Å; F38-E40 HydrophobicContact CE1-CG 3.79Å; F38-E40 HydrophobicContact CZ-CB 3.94Å; F38-E40 HydrophobicContact CZ-CG 3.89Å; E40-E42 VanDerWaalsContact C-N 3.34Å; E40-E42 PolarHBondContact O-N 2.91Å; E40-V43 PolarHBondContact O-N 3.35Å; E40-K44 HydrophobicContact CG-CD 4.37Å; E40-K44 HydrophobicContact CG-CG 4.47Å; E40-K44 WeakPolarHBondContact O-CG 3.26Å; E40-K44 PolarHBondContact O-N 3.24Å; E40-K44 WeakPolarHBondContact OE1-CE 3.45Å; E40-K44 IonicContact OE1-NZ 3.71Å; E40-K44 PolarHBondContact OE1-NZ 3.1Å
41	E	91.9	Very high	89.5	Confident	129 Å²	129	77.5 Å²	77.5	60%	0.603	40%	0.397	S	S	*	.	H	α-helix	trans	-65.6	-33.7	-179.1	-64.4	-54.1	121.8	0	0	113.3	Y39 K44 K45	Y39-E41 VanDerWaalsContact C-N 3.29Å; Y39-E41 PolarHBondContact O-N 3.02Å; Y39-E41 VanDerWaalsContact O-N 3.15Å; E41-K44 WeakPolarHBondContact OE1-CD 3.33Å; E41-K44 IonicContact OE1-NZ 3.22Å; E41-K44 PolarHBondContact OE1-NZ 2.8Å; E41-K45 WeakPolarHBondContact O-CB 3.28Å; E41-K45 PolarHBondContact O-N 3.48Å
42	E	91.4	Very high	90	Very high	120 Å²	120	76.5 Å²	76.5	56%	0.561	40%	0.4	S	S	*	.	H	α-helix	trans	-68.6	-41	174.2	-63.7	-177.3	-165.9	0	0	111.1	Y39 E40 K45 K46	Y39-E42 WeakPolarHBondContact O-CB 3.31Å; Y39-E42 PolarHBondContact O-N 3.23Å; E40-E42 VanDerWaalsContact C-N 3.34Å; E40-E42 PolarHBondContact O-N 2.91Å; E42-K45 PolarHBondContact O-N 3.48Å; E42-K46 PolarHBondContact O-N 2.85Å
43	V	90.8	Very high	90.4	Very high	10 Å²	10	76.1 Å²	76.1	6%	0.061	41%	0.41	C	S	.	.	H	α-helix	trans	-63.2	-45.8	176	-175.1	0	0	0	0	110.4	F38 Y39 E40 K45 K46 L47 A131 F135	F38-V43 HydrophobicContact CD2-CG2 4.38Å; F38-V43 HydrophobicContact CE2-CG2 4.02Å; Y39-V43 WeakPolarHBondContact O-CG2 3.48Å; Y39-V43 PolarHBondContact O-N 3.4Å; Y39-V43 VanDerWaalsContact O-N 3.13Å; E40-V43 PolarHBondContact O-N 3.35Å; V43-K45 VanDerWaalsContact C-N 3.34Å; V43-K45 PolarHBondContact O-N 3.09Å; V43-K46 PolarHBondContact O-N 3.49Å; V43-K46 VanDerWaalsContact O-N 3.16Å; V43-L47 HydrophobicContact CG1-CD1 3.96Å; V43-L47 HydrophobicContact CG1-CG 4.22Å; V43-L47 WeakPolarHBondContact O-CG 3.38Å; V43-L47 PolarHBondContact O-N 3.49Å; V43-A131 HydrophobicContact CG1-CB 4.48Å; V43-A131 HydrophobicContact CG2-CB 3.8Å; V43-F135 HydrophobicContact CG1-CB 4.01Å; V43-F135 HydrophobicContact CG1-CD2 4.14Å; V43-F135 HydrophobicContact CG1-CG 4.26Å
44	K	92.7	Very high	91	Very high	53 Å²	53	75 Å²	75	23%	0.23	40%	0.402	C	S	.	.	H	α-helix	trans	-56.8	-46.9	175.8	-71.3	178.3	178.8	155.9	0	111.7	E40 E41 K46 L47 Q48 L84 F135	E40-K44 HydrophobicContact CG-CD 4.37Å; E40-K44 HydrophobicContact CG-CG 4.47Å; E40-K44 WeakPolarHBondContact O-CG 3.26Å; E40-K44 PolarHBondContact O-N 3.24Å; E40-K44 WeakPolarHBondContact OE1-CE 3.45Å; E40-K44 IonicContact OE1-NZ 3.71Å; E40-K44 PolarHBondContact OE1-NZ 3.1Å; E41-K44 WeakPolarHBondContact OE1-CD 3.33Å; E41-K44 IonicContact OE1-NZ 3.22Å; E41-K44 PolarHBondContact OE1-NZ 2.8Å; K44-K46 VanDerWaalsContact C-N 3.29Å; K44-K46 PolarHBondContact O-N 3.02Å; K44-L47 PolarHBondContact O-N 2.93Å; K44-Q48 WeakPolarHBondContact O-CB 3.41Å; K44-Q48 PolarHBondContact O-N 2.65Å; K44-L84 HydrophobicContact CB-CD2 3.83Å; K44-L84 HydrophobicContact CG-CD2 3.57Å; K44-F135 HydrophobicContact CG-CE2 4.19Å
45	K	92.5	Very high	91.7	Very high	156 Å²	156	70.7 Å²	70.7	68%	0.678	38%	0.376	S	S	*	.	H	α-helix	trans	-60.9	-36	177.9	-173.4	179.7	179.7	-178.2	0	112.8	E41 E42 V43 Q49	E41-K45 WeakPolarHBondContact O-CB 3.28Å; E41-K45 PolarHBondContact O-N 3.48Å; E42-K45 PolarHBondContact O-N 3.48Å; V43-K45 VanDerWaalsContact C-N 3.34Å; V43-K45 PolarHBondContact O-N 3.09Å; K45-Q49 PolarHBondContact O-NE2 3.32Å
46	K	91	Very high	92.4	Very high	85 Å²	85	68.6 Å²	68.6	37%	0.37	36%	0.357	S	S	.	.	H	α-helix	trans	-68.9	-49.1	173.2	-73.4	-178.8	177.2	-177	0	111.3	E42 V43 K44 Q48 Q49 F50 L123 D128	E42-K46 PolarHBondContact O-N 2.85Å; V43-K46 PolarHBondContact O-N 3.49Å; V43-K46 VanDerWaalsContact O-N 3.16Å; K44-K46 VanDerWaalsContact C-N 3.29Å; K44-K46 PolarHBondContact O-N 3.02Å; K46-Q48 VanDerWaalsContact C-N 3.27Å; K46-Q48 PolarHBondContact O-N 2.8Å; K46-Q49 WeakPolarHBondContact O-CB 3.4Å; K46-Q49 PolarHBondContact O-N 3.05Å; K46-Q49 VanDerWaalsContact O-N 3.15Å; K46-F50 WeakPolarHBondContact O-CD2 3.38Å; K46-F50 WeakPolarHBondContact O-CE2 3.27Å; K46-L123 HydrophobicContact CD-CD2 4.49Å; K46-D128 IonicContact NZ-OD1 2.67Å; K46-D128 PolarHBondContact NZ-OD1 3.33Å
47	L	92.4	Very high	92.9	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-35.4	-178.6	-70.7	176.7	0	0	0	112.6	V43 K44 Q49 F50 G80 M83 L84 L123 V132 F135	V43-L47 HydrophobicContact CG1-CD1 3.96Å; V43-L47 HydrophobicContact CG1-CG 4.22Å; V43-L47 WeakPolarHBondContact O-CG 3.38Å; V43-L47 PolarHBondContact O-N 3.49Å; K44-L47 PolarHBondContact O-N 2.93Å; L47-Q49 PolarHBondContact O-N 2.93Å; L47-Q49 VanDerWaalsContact O-N 3.12Å; L47-F50 PolarHBondContact O-N 2.99Å; L47-G80 CarbonylContact O-C 3.36Å; L47-G80 VanDerWaalsContact O-C 3.31Å; L47-G80 VanDerWaalsContact O-CA 3.24Å; L47-G80 WeakPolarHBondContact O-CA 3.09Å; L47-M83 HydrophobicContact CD1-CB 4.29Å; L47-M83 HydrophobicContact CD2-SD 3.92Å; L47-L84 HydrophobicContact CB-CD1 4.08Å; L47-L84 HydrophobicContact CB-CD2 4.21Å; L47-L84 HydrophobicContact CB-CG 4.01Å; L47-L84 HydrophobicContact CD1-CD2 4.13Å; L47-L84 HydrophobicContact CD1-CG 4.47Å; L47-L123 HydrophobicContact CD2-CD1 4.5Å; L47-V132 HydrophobicContact CD2-CG2 4.35Å; L47-F135 HydrophobicContact CD1-CD1 3.8Å; L47-F135 HydrophobicContact CD1-CD2 4.17Å; L47-F135 HydrophobicContact CD1-CE1 3.9Å; L47-F135 HydrophobicContact CD1-CE2 4.24Å; L47-F135 HydrophobicContact CD1-CG 3.97Å; L47-F135 HydrophobicContact CD1-CZ 4.12Å
48	Q	93.5	Very high	93.6	Very high	133 Å²	133	68.4 Å²	68.4	62%	0.621	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.1	179.8	-162.7	166.9	21.5	0	0	113.8	K44 K46 F50 L84	K44-Q48 WeakPolarHBondContact O-CB 3.41Å; K44-Q48 PolarHBondContact O-N 2.65Å; K46-Q48 VanDerWaalsContact C-N 3.27Å; K46-Q48 PolarHBondContact O-N 2.8Å; Q48-F50 PolarHBondContact O-N 3.24Å; Q48-L84 HydrophobicContact CB-CD1 3.94Å; Q48-L84 HydrophobicContact CG-CD1 4.45Å
49	Q	91.8	Very high	94	Very high	130 Å²	130	72.1 Å²	72.1	61%	0.607	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.8	176.7	-60.4	172	39.1	0	0	113.2	K45 K46 L47 P51	K45-Q49 PolarHBondContact O-NE2 3.32Å; K46-Q49 WeakPolarHBondContact O-CB 3.4Å; K46-Q49 PolarHBondContact O-N 3.05Å; K46-Q49 VanDerWaalsContact O-N 3.15Å; L47-Q49 PolarHBondContact O-N 2.93Å; L47-Q49 VanDerWaalsContact O-N 3.12Å; Q49-P51 WeakPolarHBondContact O-CD 3.35Å
50	F	92.7	Very high	94.3	Very high	34 Å²	34	69.5 Å²	69.5	15%	0.149	35%	0.353	C	S	.	.	S	Bend	trans	-112.7	83.5	-178.8	-55.5	-70.5	0	0	0	110.4	K46 L47 Q48 S79 G80 V81 A119 L123	K46-F50 WeakPolarHBondContact O-CD2 3.38Å; K46-F50 WeakPolarHBondContact O-CE2 3.27Å; L47-F50 PolarHBondContact O-N 2.99Å; Q48-F50 PolarHBondContact O-N 3.24Å; F50-S79 VanDerWaalsContact O-CB 3.31Å; F50-S79 WeakPolarHBondContact O-CB 3.22Å; F50-S79 PolarHBondContact O-OG 3.13Å; F50-G80 PolarHBondContact O-N 2.91Å; F50-G80 VanDerWaalsContact O-N 3.13Å; F50-V81 PolarHBondContact O-N 3.02Å; F50-A119 HydrophobicContact CB-CB 3.94Å; F50-A119 HydrophobicContact CD1-CB 3.88Å; F50-A119 HydrophobicContact CD2-CB 4.21Å; F50-A119 HydrophobicContact CE1-CB 4.5Å; F50-A119 HydrophobicContact CG-CB 3.72Å; F50-L123 HydrophobicContact CD2-CD1 4.48Å; F50-L123 HydrophobicContact CE2-CD1 3.94Å; F50-L123 HydrophobicContact CE2-CD2 4.17Å; F50-L123 HydrophobicContact CE2-CG 3.93Å; F50-L123 HydrophobicContact CZ-CG 4.14Å
51	P	93.4	Very high	94.5	Very high	99 Å²	99	75.9 Å²	75.9	64%	0.643	39%	0.388	S	S	*	.			trans	-76.9	168.9	179.6	34.1	-37.6	0	0	0	112.2	Q49 V81	Q49-P51 WeakPolarHBondContact O-CD 3.35Å; P51-V81 HydrophobicContact CB-CG2 4.41Å
52	G	93.8	Very high	94.6	Very high	34 Å²	34	71.6 Å²	71.6	35%	0.351	37%	0.373	S	S	.	.			trans	127.5	138.3	172.3	0	0	0	0	0	111.9	S79 M82	G52-S79 VanDerWaalsContact O-CB 3.26Å; G52-S79 WeakPolarHBondContact O-CB 3.11Å; G52-S79 PolarHBondContact O-OG 3.01Å; G52-M82 WeakPolarHBondContact O-CG 3.36Å
53	G	96.9	Very high	94.8	Very high	37 Å²	37	66.1 Å²	66.1	38%	0.381	35%	0.348	S	S	.	.			trans	65	-175.7	-176.3	0	0	0	0	0	114.7	N70	G53-N70 CarbonylContact C-O 3.54Å; G53-N70 WeakPolarHBondContact CA-O 3.48Å
54	S	98.5	Very high	95.1	Very high	27 Å²	27	65.7 Å²	65.7	19%	0.189	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	162.8	176.2	61.5	0	0	0	0	113	D56 N70	S54-D56 WeakPolarHBondContact CB-OD1 3.29Å; S54-D56 PolarHBondContact OG-OD1 3.39Å; S54-D56 PolarHBondContact OG-OD2 2.89Å; S54-N70 PolarHBondContact N-O 2.97Å; S54-N70 PolarHBondContact O-N 2.92Å
55	I	98.8	Very high	95.4	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	105.7	164.8	-53.7	-64.1	0	0	0	108.4	L67 L69 F78 M82 Q85 L86 K89	I55-L67 HydrophobicContact CG2-CD1 3.53Å; I55-L67 HydrophobicContact CG2-CD2 4.37Å; I55-L67 HydrophobicContact CG2-CG 3.96Å; I55-L69 HydrophobicContact CD1-CD2 3.58Å; I55-F78 HydrophobicContact CD1-CD1 4.5Å; I55-F78 HydrophobicContact CD1-CE1 3.74Å; I55-F78 HydrophobicContact CD1-CZ 4.13Å; I55-M82 HydrophobicContact CD1-CB 4.14Å; I55-M82 HydrophobicContact CD1-CE 3.66Å; I55-M82 HydrophobicContact CD1-CG 4.42Å; I55-M82 HydrophobicContact CG1-CB 4.14Å; I55-M82 HydrophobicContact CG1-CG 4.47Å; I55-M82 VanDerWaalsContact CG1-O 3.26Å; I55-M82 WeakPolarHBondContact CG1-O 3.27Å; I55-Q85 HydrophobicContact CB-CB 3.93Å; I55-Q85 HydrophobicContact CG1-CB 3.93Å; I55-L86 HydrophobicContact CG1-CB 4.25Å; I55-L86 HydrophobicContact CG2-CD1 4.46Å; I55-K89 HydrophobicContact CG2-CB 4.48Å; I55-K89 HydrophobicContact CG2-CG 3.97Å
56	D	98.8	Very high	95.7	Very high	55 Å²	55	56 Å²	56	29%	0.294	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.8	-174.8	-52.1	-35.9	0	0	0	109.7	S54 L67 T68 N70	S54-D56 WeakPolarHBondContact CB-OD1 3.29Å; S54-D56 PolarHBondContact OG-OD1 3.39Å; S54-D56 PolarHBondContact OG-OD2 2.89Å; D56-L67 CarbonylContact O-C 3.39Å; D56-L67 WeakPolarHBondContact O-CA 3.5Å; D56-T68 PolarHBondContact N-O 3.35Å; D56-T68 PolarHBondContact O-N 3.34Å; D56-N70 WeakPolarHBondContact OD2-CB 3.47Å; D56-N70 PolarHBondContact OD2-ND2 3.08Å
57	L	98.8	Very high	96.1	Very high	29 Å²	29	52 Å²	52	15%	0.152	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.2	177.6	177.5	61.4	0	0	0	110.1	I66 L67 K89 L93 L102	L57-I66 WeakPolarHBondContact CA-O 3.16Å; L57-L67 HydrophobicContact CB-CD1 4.09Å; L57-L67 HydrophobicContact CD1-CB 4.48Å; L57-L67 HydrophobicContact CD1-CD1 4.13Å; L57-K89 HydrophobicContact CB-CD 3.88Å; L57-K89 HydrophobicContact CB-CG 4.35Å; L57-K89 HydrophobicContact CD2-CD 4.11Å; L57-L93 HydrophobicContact CD1-CD1 4.49Å; L57-L93 HydrophobicContact CD1-CD2 4.1Å; L57-L93 HydrophobicContact CD2-CD1 4.34Å; L57-L93 HydrophobicContact CD2-CD2 3.81Å; L57-L93 HydrophobicContact CD2-CG 3.88Å; L57-L102 HydrophobicContact CD1-CD1 4.23Å
58	Q	98.5	Very high	96.4	Very high	121 Å²	121	52.9 Å²	52.9	57%	0.565	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.7	171.4	-60.4	177.9	15.8	0	0	108.8	G65 I66	Q58-G65 CarbonylContact O-C 2.97Å; Q58-G65 VanDerWaalsContact O-CA 3.27Å; Q58-G65 WeakPolarHBondContact O-CA 3.43Å; Q58-I66 PolarHBondContact N-O 3.27Å; Q58-I66 PolarHBondContact O-N 3.31Å
59	K	98.2	Very high	96.7	Very high	84 Å²	84	46.5 Å²	46.5	37%	0.365	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.1	177.8	-70.4	168.2	173.3	162.5	0	108.1	E92 W96	K59-E92 WeakPolarHBondContact CE-OE1 3.38Å; K59-E92 IonicContact NZ-OE1 2.68Å; K59-E92 PolarHBondContact NZ-OE1 2.99Å; K59-W96 HydrophobicContact CB-CH2 4.2Å; K59-W96 HydrophobicContact CB-CZ2 3.84Å; K59-W96 HydrophobicContact CD-CD2 3.99Å; K59-W96 HydrophobicContact CD-CG 4.23Å; K59-W96 HydrophobicContact CD-CZ2 4.23Å; K59-W96 HydrophobicContact CG-CD2 4.22Å; K59-W96 HydrophobicContact CG-CE3 4.37Å; K59-W96 HydrophobicContact CG-CH2 4.02Å; K59-W96 HydrophobicContact CG-CZ2 3.84Å; K59-W96 HydrophobicContact CG-CZ3 4.29Å
60	E	95.8	Very high	97	Very high	68 Å²	68	42.8 Å²	42.8	32%	0.318	25%	0.246	S	C	.	.			trans	-98.5	155.6	178.2	-61.5	-176.7	163.3	0	0	111.7	S62 G63 I64 I66 Q246	E60-S62 WeakPolarHBondContact CB-OG 3Å; E60-S62 PolarHBondContact O-N 3.25Å; E60-S62 VanDerWaalsContact O-N 3.12Å; E60-S62 PolarHBondContact OE2-OG 2.84Å; E60-S62 VanDerWaalsContact OE2-OG 3.09Å; E60-G63 PolarHBondContact O-N 2.79Å; E60-I64 WeakPolarHBondContact CB-O 3.48Å; E60-I64 PolarHBondContact N-O 2.94Å; E60-I66 WeakPolarHBondContact OE1-CD1 3.34Å; E60-Q246 PolarHBondContact OE1-NE2 3.25Å; E60-Q246 PolarHBondContact OE2-NE2 2.88Å
61	D	92.8	Very high	97.2	Very high	181 Å²	181	41.6 Å²	41.6	97%	0.968	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.2	174.7	-62.6	-23.7	0	0	0	112.9	G63	D61-G63 PolarHBondContact O-N 3.35Å
62	S	92.6	Very high	97.4	Very high	40 Å²	40	39.7 Å²	39.7	28%	0.28	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.4	172.5	67.7	0	0	0	0	112.9	E60 I64 K100	E60-S62 WeakPolarHBondContact CB-OG 3Å; E60-S62 PolarHBondContact O-N 3.25Å; E60-S62 VanDerWaalsContact O-N 3.12Å; E60-S62 PolarHBondContact OE2-OG 2.84Å; E60-S62 VanDerWaalsContact OE2-OG 3.09Å; S62-I64 WeakPolarHBondContact OG-CB 3.41Å; S62-I64 PolarHBondContact OG-N 3.2Å; S62-K100 WeakPolarHBondContact O-CE 3.37Å; S62-K100 PolarHBondContact O-NZ 2.81Å
63	G	96.1	Very high	97.5	Very high	5 Å²	5	43.1 Å²	43.1	5%	0.052	25%	0.248	C	C	.	.	S	Bend	trans	82	14.8	-170	0	0	0	0	0	113.2	E60 D61 W96 K100 G101	E60-G63 PolarHBondContact O-N 2.79Å; D61-G63 PolarHBondContact O-N 3.35Å; G63-W96 WeakPolarHBondContact O-CH2 3.42Å; G63-K100 PolarHBondContact O-N 2.94Å; G63-G101 PolarHBondContact O-N 2.81Å; G63-G101 VanDerWaalsContact O-N 3.12Å
64	I	98.4	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.6	170.5	-61.2	176.7	0	0	0	109.3	E60 S62 G101 I103 Q246 L249 K250 I253	E60-I64 WeakPolarHBondContact CB-O 3.48Å; E60-I64 PolarHBondContact N-O 2.94Å; S62-I64 WeakPolarHBondContact OG-CB 3.41Å; S62-I64 PolarHBondContact OG-N 3.2Å; I64-G101 WeakPolarHBondContact CA-O 3.44Å; I64-I103 HydrophobicContact CG2-CD1 4.21Å; I64-I103 HydrophobicContact CG2-CG1 4.23Å; I64-Q246 HydrophobicContact CD1-CB 4.49Å; I64-L249 HydrophobicContact CD1-CD2 4.41Å; I64-L249 HydrophobicContact CG1-CD2 4.41Å; I64-L249 HydrophobicContact CG2-CD2 4.27Å; I64-K250 HydrophobicContact CD1-CG 4.08Å; I64-I253 HydrophobicContact CD1-CD1 3.77Å; I64-I253 HydrophobicContact CG1-CD1 3.32Å
65	G	98.6	Very high	97.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.6	165.2	0	0	0	0	0	110.8	Q58 G101 L102 I103	Q58-G65 CarbonylContact O-C 2.97Å; Q58-G65 VanDerWaalsContact O-CA 3.27Å; Q58-G65 WeakPolarHBondContact O-CA 3.43Å; G65-G101 PolarHBondContact N-O 2.8Å; G65-L102 CarbonylContact O-C 3.18Å; G65-L102 WeakPolarHBondContact O-CA 3.41Å; G65-I103 PolarHBondContact O-N 2.88Å
66	I	98.8	Very high	97.4	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.036	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	110.6	171	-57	167.6	0	0	0	107.6	L57 Q58 E60 I103 R105 L242	L57-I66 WeakPolarHBondContact CA-O 3.16Å; Q58-I66 PolarHBondContact N-O 3.27Å; Q58-I66 PolarHBondContact O-N 3.31Å; E60-I66 WeakPolarHBondContact OE1-CD1 3.34Å; I66-I103 WeakPolarHBondContact CA-O 3.46Å; I66-R105 HydrophobicContact CG2-CG 4.38Å; I66-L242 HydrophobicContact CD1-CD1 4.37Å; I66-L242 HydrophobicContact CD1-CD2 4.22Å; I66-L242 HydrophobicContact CG2-CD1 4.5Å
67	L	98.9	Very high	97.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.2	176.4	-168.7	76.6	0	0	0	109.3	I55 D56 L57 L86 K89 L102 I103 V104 R105 F143 F165	I55-L67 HydrophobicContact CG2-CD1 3.53Å; I55-L67 HydrophobicContact CG2-CD2 4.37Å; I55-L67 HydrophobicContact CG2-CG 3.96Å; D56-L67 CarbonylContact O-C 3.39Å; D56-L67 WeakPolarHBondContact O-CA 3.5Å; L57-L67 HydrophobicContact CB-CD1 4.09Å; L57-L67 HydrophobicContact CD1-CB 4.48Å; L57-L67 HydrophobicContact CD1-CD1 4.13Å; L67-L86 HydrophobicContact CD2-CD1 3.88Å; L67-K89 HydrophobicContact CD1-CB 3.89Å; L67-K89 HydrophobicContact CD1-CG 4.06Å; L67-L102 HydrophobicContact CB-CD1 4.15Å; L67-I103 PolarHBondContact N-O 2.98Å; L67-V104 HydrophobicContact CB-CG2 4.36Å; L67-V104 HydrophobicContact CD2-CG1 4.41Å; L67-V104 HydrophobicContact CD2-CG2 4.24Å; L67-V104 WeakPolarHBondContact O-CA 3.45Å; L67-R105 PolarHBondContact O-N 3.3Å; L67-F143 HydrophobicContact CD2-CE2 3.9Å; L67-F165 HydrophobicContact CD2-CZ 4.23Å
68	T	98.9	Very high	97.3	Very high	20 Å²	20	44.3 Å²	44.3	12%	0.123	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.1	-177	-56.4	0	0	0	0	111.2	D56 N70 R105 A107	D56-T68 PolarHBondContact N-O 3.35Å; D56-T68 PolarHBondContact O-N 3.34Å; T68-N70 HydrophobicContact CG2-CB 4.49Å; T68-N70 PolarHBondContact O-N 3.32Å; T68-R105 CarbonylContact C-O 3.57Å; T68-R105 WeakPolarHBondContact CA-O 3.38Å; T68-A107 HydrophobicContact CG2-CB 4.1Å
69	L	98.8	Very high	97.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	110	169.8	-45	-177	0	0	0	108	I55 N76 F78 V104 R105 G106 A107 F111 F165	I55-L69 HydrophobicContact CD1-CD2 3.58Å; L69-N76 HydrophobicContact CB-CB 4.13Å; L69-N76 PolarHBondContact O-ND2 2.89Å; L69-N76 PolarHBondContact O-OD1 3.02Å; L69-F78 HydrophobicContact CD1-CE2 3.89Å; L69-F78 HydrophobicContact CD1-CZ 4.07Å; L69-F78 HydrophobicContact CD2-CE2 4.36Å; L69-F78 HydrophobicContact CD2-CZ 3.74Å; L69-F78 HydrophobicContact CG-CZ 4.46Å; L69-V104 HydrophobicContact CD2-CG1 4.4Å; L69-V104 HydrophobicContact CG-CG1 4.4Å; L69-R105 PolarHBondContact N-O 3.27Å; L69-G106 WeakPolarHBondContact O-CA 3.25Å; L69-A107 PolarHBondContact O-N 3.26Å; L69-F111 HydrophobicContact CD1-CD1 4.45Å; L69-F111 HydrophobicContact CD1-CE1 4.11Å; L69-F111 HydrophobicContact CD1-CZ 4.2Å; L69-F165 HydrophobicContact CD1-CD1 4.11Å; L69-F165 HydrophobicContact CD1-CE1 4.25Å; L69-F165 HydrophobicContact CD2-CD1 4.48Å; L69-F165 HydrophobicContact CD2-CE1 3.86Å
70	N	98.5	Very high	97	Very high	51 Å²	51	34.5 Å²	34.5	27%	0.273	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	84.3	-167.4	-169.6	2	0	0	0	111.7	G53 S54 D56 T68 P72 A107	G53-N70 CarbonylContact C-O 3.54Å; G53-N70 WeakPolarHBondContact CA-O 3.48Å; S54-N70 PolarHBondContact N-O 2.97Å; S54-N70 PolarHBondContact O-N 2.92Å; D56-N70 WeakPolarHBondContact OD2-CB 3.47Å; D56-N70 PolarHBondContact OD2-ND2 3.08Å; T68-N70 HydrophobicContact CG2-CB 4.49Å; T68-N70 PolarHBondContact O-N 3.32Å; N70-P72 VanDerWaalsContact OD1-CD 3.28Å; N70-P72 WeakPolarHBondContact OD1-CD 3.43Å; N70-A107 HydrophobicContact CB-CB 4.42Å
71	N	97.8	Very high	97	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.048	19%	0.188	C	C	.	.			trans	-146.1	58.5	168.4	-168.9	10	0	0	0	110.3	S73 K74 M75 N76 A77 M82	N71-S73 VanDerWaalsContact C-N 3.25Å; N71-S73 PolarHBondContact O-N 3.03Å; N71-K74 CarbonylContact O-C 3.41Å; N71-K74 PolarHBondContact O-N 2.79Å; N71-M75 PolarHBondContact O-N 3.39Å; N71-N76 WeakPolarHBondContact CA-OD1 3.18Å; N71-N76 PolarHBondContact N-OD1 3.4Å; N71-N76 WeakPolarHBondContact O-CA 3.27Å; N71-N76 PolarHBondContact O-N 3.22Å; N71-N76 PolarHBondContact O-OD1 3.01Å; N71-A77 PolarHBondContact ND2-O 2.98Å; N71-M82 HydrophobicContact CB-CE 4.17Å; N71-M82 HydrophobicContact CB-SD 3.69Å
72	P	97.1	Very high	97.2	Very high	59 Å²	59	24.2 Å²	24.2	38%	0.383	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-63.6	-29.7	-165.2	23.1	-34.8	0	0	0	113.2	N70 K74 M75 N76 K108	N70-P72 VanDerWaalsContact OD1-CD 3.28Å; N70-P72 WeakPolarHBondContact OD1-CD 3.43Å; P72-K74 PolarHBondContact O-N 3.38Å; P72-K74 VanDerWaalsContact O-N 3.14Å; P72-M75 PolarHBondContact O-N 3.03Å; P72-M75 VanDerWaalsContact O-N 3.12Å; P72-N76 WeakPolarHBondContact CA-OD1 3.39Å; P72-N76 VanDerWaalsContact N-OD1 3.09Å; P72-K108 HydrophobicContact CB-CB 3.99Å; P72-K108 HydrophobicContact CB-CG 3.74Å; P72-K108 HydrophobicContact CG-CG 4.28Å
73	S	96.1	Very high	97.5	Very high	107 Å²	107	22.6 Å²	22.6	75%	0.748	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	-62.7	-18.6	175.4	60.1	0	0	0	0	113.5	N71	N71-S73 VanDerWaalsContact C-N 3.25Å; N71-S73 PolarHBondContact O-N 3.03Å
74	K	96.3	Very high	97.6	Very high	76 Å²	76	23.4 Å²	23.4	33%	0.33	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-122.9	32.5	174.5	-60.4	-164.5	178.7	-173.2	0	112.3	N71 P72 N76 A77 S113 D116	N71-K74 CarbonylContact O-C 3.41Å; N71-K74 PolarHBondContact O-N 2.79Å; P72-K74 PolarHBondContact O-N 3.38Å; P72-K74 VanDerWaalsContact O-N 3.14Å; K74-N76 PolarHBondContact O-N 2.62Å; K74-N76 VanDerWaalsContact O-N 3.16Å; K74-A77 HydrophobicContact CB-CB 4.1Å; K74-A77 VanDerWaalsContact O-CB 3.22Å; K74-A77 WeakPolarHBondContact O-CB 3.42Å; K74-A77 PolarHBondContact O-N 3.18Å; K74-S113 PolarHBondContact O-OG 2.86Å; K74-D116 VanDerWaalsContact CD-OD2 3.28Å; K74-D116 WeakPolarHBondContact CD-OD2 3.46Å; K74-D116 VanDerWaalsContact NZ-CG 3.34Å; K74-D116 IonicContact NZ-OD1 2.74Å; K74-D116 PolarHBondContact NZ-OD1 3.24Å; K74-D116 IonicContact NZ-OD2 2.81Å; K74-D116 PolarHBondContact NZ-OD2 2.87Å
75	M	97.1	Very high	97.6	Very high	97 Å²	97	25.9 Å²	25.9	48%	0.478	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	37.2	179.4	-61.6	-174.5	-65.1	0	0	113.1	N71 P72 A77 T110 S112 S113	N71-M75 PolarHBondContact O-N 3.39Å; P72-M75 PolarHBondContact O-N 3.03Å; P72-M75 VanDerWaalsContact O-N 3.12Å; M75-A77 PolarHBondContact O-N 3.39Å; M75-T110 HydrophobicContact CB-CG2 3.94Å; M75-S112 CarbonylContact O-C 3.4Å; M75-S112 WeakPolarHBondContact O-CA 3.49Å; M75-S113 PolarHBondContact O-N 3.31Å
76	N	98.3	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	32.6	-177.1	-55.5	-37.7	0	0	0	113.7	L69 N71 P72 K74 A107 T110 F111 S112	L69-N76 HydrophobicContact CB-CB 4.13Å; L69-N76 PolarHBondContact O-ND2 2.89Å; L69-N76 PolarHBondContact O-OD1 3.02Å; N71-N76 WeakPolarHBondContact CA-OD1 3.18Å; N71-N76 PolarHBondContact N-OD1 3.4Å; N71-N76 WeakPolarHBondContact O-CA 3.27Å; N71-N76 PolarHBondContact O-N 3.22Å; N71-N76 PolarHBondContact O-OD1 3.01Å; P72-N76 WeakPolarHBondContact CA-OD1 3.39Å; P72-N76 VanDerWaalsContact N-OD1 3.09Å; K74-N76 PolarHBondContact O-N 2.62Å; K74-N76 VanDerWaalsContact O-N 3.16Å; N76-A107 PolarHBondContact ND2-N 3.28Å; N76-A107 VanDerWaalsContact ND2-N 3.16Å; N76-A107 PolarHBondContact ND2-O 2.87Å; N76-T110 PolarHBondContact ND2-O 3.25Å; N76-F111 WeakPolarHBondContact CB-O 3.48Å; N76-S112 WeakPolarHBondContact O-CB 3.29Å; N76-S112 PolarHBondContact O-OG 3.29Å
77	A	97.5	Very high	97.5	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.033	14%	0.144	C	C	.	.			trans	-62.4	136.7	171.4	0	0	0	0	0	111.3	N71 K74 M75 S79 M82 S113 G114 D116	N71-A77 PolarHBondContact ND2-O 2.98Å; K74-A77 HydrophobicContact CB-CB 4.1Å; K74-A77 VanDerWaalsContact O-CB 3.22Å; K74-A77 WeakPolarHBondContact O-CB 3.42Å; K74-A77 PolarHBondContact O-N 3.18Å; M75-A77 PolarHBondContact O-N 3.39Å; A77-S79 PolarHBondContact O-N 3.37Å; A77-M82 VanDerWaalsContact O-SD 3.34Å; A77-S113 WeakPolarHBondContact CB-OG 3.39Å; A77-G114 CarbonylContact C-O 3.29Å; A77-G114 WeakPolarHBondContact CA-O 3.48Å; A77-D116 HydrophobicContact CB-CB 4.2Å
78	F	97.4	Very high	97.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-73.8	110.1	177.1	-81.1	-100.9	0	0	0	110.8	I55 L69 M82 M83 L86 G114 D116 F165 W193	I55-F78 HydrophobicContact CD1-CD1 4.5Å; I55-F78 HydrophobicContact CD1-CE1 3.74Å; I55-F78 HydrophobicContact CD1-CZ 4.13Å; L69-F78 HydrophobicContact CD1-CE2 3.89Å; L69-F78 HydrophobicContact CD1-CZ 4.07Å; L69-F78 HydrophobicContact CD2-CE2 4.36Å; L69-F78 HydrophobicContact CD2-CZ 3.74Å; L69-F78 HydrophobicContact CG-CZ 4.46Å; F78-M82 HydrophobicContact CD1-CB 3.89Å; F78-M83 HydrophobicContact CB-CE 3.93Å; F78-M83 HydrophobicContact CB-CG 4.13Å; F78-M83 HydrophobicContact CD1-CG 4.1Å; F78-L86 HydrophobicContact CE1-CB 4.26Å; F78-L86 HydrophobicContact CE1-CD2 3.83Å; F78-L86 HydrophobicContact CZ-CD2 4.22Å; F78-G114 PolarHBondContact N-O 2.82Å; F78-D116 WeakPolarHBondContact O-CB 3.44Å; F78-D116 PolarHBondContact O-N 3.12Å; F78-F165 HydrophobicContact CE2-CD1 4.17Å; F78-F165 AromaticContact CZ-CD1 3.8Å; F78-F165 HydrophobicContact CZ-CD1 3.8Å; F78-F165 AromaticContact CZ-CE1 3.9Å; F78-F165 HydrophobicContact CZ-CE1 3.9Å; F78-W193 HydrophobicContact CB-CH2 3.99Å; F78-W193 AromaticContact CD2-CH2 3.96Å; F78-W193 HydrophobicContact CD2-CH2 3.96Å; F78-W193 HydrophobicContact CD2-CZ3 4.16Å; F78-W193 HydrophobicContact CE2-CZ3 4.44Å; F78-W193 AromaticContact CG-CH2 3.97Å; F78-W193 HydrophobicContact CG-CH2 3.97Å; F78-W193 HydrophobicContact CG-CZ3 4.48Å
79	S	96.1	Very high	97.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.			trans	-69.7	168.6	158.3	74.1	0	0	0	0	110.4	F50 G52 A77 V81 M82 M83	F50-S79 VanDerWaalsContact O-CB 3.31Å; F50-S79 WeakPolarHBondContact O-CB 3.22Å; F50-S79 PolarHBondContact O-OG 3.13Å; G52-S79 VanDerWaalsContact O-CB 3.26Å; G52-S79 WeakPolarHBondContact O-CB 3.11Å; G52-S79 PolarHBondContact O-OG 3.01Å; A77-S79 PolarHBondContact O-N 3.37Å; S79-V81 VanDerWaalsContact C-N 3.29Å; S79-V81 PolarHBondContact O-N 2.94Å; S79-V81 PolarHBondContact OG-N 3.11Å; S79-M82 PolarHBondContact O-N 3.4Å; S79-M82 WeakPolarHBondContact OG-CG 3.29Å; S79-M82 PolarHBondContact OG-N 2.8Å; S79-M83 WeakPolarHBondContact O-CG 3.47Å; S79-M83 PolarHBondContact O-N 3.25Å; S79-M83 VanDerWaalsContact O-N 3.09Å
80	G	94.7	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.9	-36.4	174.4	0	0	0	0	0	112.1	L47 F50 M82 M83 L84	L47-G80 CarbonylContact O-C 3.36Å; L47-G80 VanDerWaalsContact O-C 3.31Å; L47-G80 VanDerWaalsContact O-CA 3.24Å; L47-G80 WeakPolarHBondContact O-CA 3.09Å; F50-G80 PolarHBondContact O-N 2.91Å; F50-G80 VanDerWaalsContact O-N 3.13Å; G80-M82 PolarHBondContact O-N 3.37Å; G80-M83 WeakPolarHBondContact O-CB 3.46Å; G80-M83 PolarHBondContact O-N 2.9Å; G80-L84 WeakPolarHBondContact O-CG 3.5Å; G80-L84 PolarHBondContact O-N 3.3Å; G80-L84 VanDerWaalsContact O-N 3.1Å
81	V	96.1	Very high	97.4	Very high	33 Å²	33	33.5 Å²	33.5	20%	0.2	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-41.6	173.1	170.3	0	0	0	0	111.9	F50 P51 S79 M83 L84 Q85	F50-V81 PolarHBondContact O-N 3.02Å; P51-V81 HydrophobicContact CB-CG2 4.41Å; S79-V81 VanDerWaalsContact C-N 3.29Å; S79-V81 PolarHBondContact O-N 2.94Å; S79-V81 PolarHBondContact OG-N 3.11Å; V81-M83 VanDerWaalsContact C-N 3.32Å; V81-M83 PolarHBondContact O-N 3.05Å; V81-L84 WeakPolarHBondContact O-CB 3.43Å; V81-L84 PolarHBondContact O-N 3.12Å; V81-Q85 HydrophobicContact CG1-CG 4.35Å; V81-Q85 WeakPolarHBondContact O-CG 3.31Å; V81-Q85 PolarHBondContact O-N 3.21Å
82	M	98.1	Very high	97.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-35.9	175.3	-74.2	175.4	71.8	0	0	112.4	G52 I55 N71 A77 F78 S79 G80 L84 Q85 L86	G52-M82 WeakPolarHBondContact O-CG 3.36Å; I55-M82 HydrophobicContact CD1-CB 4.14Å; I55-M82 HydrophobicContact CD1-CE 3.66Å; I55-M82 HydrophobicContact CD1-CG 4.42Å; I55-M82 HydrophobicContact CG1-CB 4.14Å; I55-M82 HydrophobicContact CG1-CG 4.47Å; I55-M82 VanDerWaalsContact CG1-O 3.26Å; I55-M82 WeakPolarHBondContact CG1-O 3.27Å; N71-M82 HydrophobicContact CB-CE 4.17Å; N71-M82 HydrophobicContact CB-SD 3.69Å; A77-M82 VanDerWaalsContact O-SD 3.34Å; F78-M82 HydrophobicContact CD1-CB 3.89Å; S79-M82 PolarHBondContact O-N 3.4Å; S79-M82 WeakPolarHBondContact OG-CG 3.29Å; S79-M82 PolarHBondContact OG-N 2.8Å; G80-M82 PolarHBondContact O-N 3.37Å; M82-L84 VanDerWaalsContact C-N 3.34Å; M82-Q85 PolarHBondContact O-N 2.92Å; M82-L86 WeakPolarHBondContact O-CB 3.38Å; M82-L86 PolarHBondContact O-N 2.9Å
83	M	97.8	Very high	97.5	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-42	174.4	-64.9	-179.1	-171.6	0	0	111.5	L47 F78 S79 G80 V81 L86 L87 V132 F135 M136 W193	L47-M83 HydrophobicContact CD1-CB 4.29Å; L47-M83 HydrophobicContact CD2-SD 3.92Å; F78-M83 HydrophobicContact CB-CE 3.93Å; F78-M83 HydrophobicContact CB-CG 4.13Å; F78-M83 HydrophobicContact CD1-CG 4.1Å; S79-M83 WeakPolarHBondContact O-CG 3.47Å; S79-M83 PolarHBondContact O-N 3.25Å; S79-M83 VanDerWaalsContact O-N 3.09Å; G80-M83 WeakPolarHBondContact O-CB 3.46Å; G80-M83 PolarHBondContact O-N 2.9Å; V81-M83 VanDerWaalsContact C-N 3.32Å; V81-M83 PolarHBondContact O-N 3.05Å; M83-L86 PolarHBondContact O-N 3.21Å; M83-L87 PolarHBondContact O-N 2.92Å; M83-V132 HydrophobicContact CE-CG1 4.45Å; M83-V132 HydrophobicContact SD-CG1 4.15Å; M83-F135 HydrophobicContact CB-CD1 4.39Å; M83-F135 HydrophobicContact CB-CE1 3.91Å; M83-F135 WeakPolarHBondContact O-CE1 3.37Å; M83-M136 HydrophobicContact CB-SD 3.82Å; M83-M136 HydrophobicContact CG-CE 4.43Å; M83-M136 HydrophobicContact CG-SD 3.59Å; M83-M136 VanDerWaalsContact CG-SD 3.59Å; M83-M136 HydrophobicContact SD-CG 3.99Å; M83-M136 HydrophobicContact SD-SD 3.85Å; M83-W193 HydrophobicContact CE-CH2 4.22Å; M83-W193 HydrophobicContact CE-CZ2 3.63Å
84	L	97.6	Very high	97.4	Very high	22 Å²	22	29.4 Å²	29.4	12%	0.115	14%	0.142	C	C	.	.	H	α-helix	trans	-63.2	-49	175.5	-65.5	172.9	0	0	0	111.5	K44 L47 Q48 G80 V81 M82 L86 L87 E88 F135	K44-L84 HydrophobicContact CB-CD2 3.83Å; K44-L84 HydrophobicContact CG-CD2 3.57Å; L47-L84 HydrophobicContact CB-CD1 4.08Å; L47-L84 HydrophobicContact CB-CD2 4.21Å; L47-L84 HydrophobicContact CB-CG 4.01Å; L47-L84 HydrophobicContact CD1-CD2 4.13Å; L47-L84 HydrophobicContact CD1-CG 4.47Å; Q48-L84 HydrophobicContact CB-CD1 3.94Å; Q48-L84 HydrophobicContact CG-CD1 4.45Å; G80-L84 WeakPolarHBondContact O-CG 3.5Å; G80-L84 PolarHBondContact O-N 3.3Å; G80-L84 VanDerWaalsContact O-N 3.1Å; V81-L84 WeakPolarHBondContact O-CB 3.43Å; V81-L84 PolarHBondContact O-N 3.12Å; M82-L84 VanDerWaalsContact C-N 3.34Å; L84-L86 VanDerWaalsContact C-N 3.27Å; L84-L86 PolarHBondContact O-N 3.34Å; L84-L87 WeakPolarHBondContact O-CB 3.42Å; L84-L87 PolarHBondContact O-N 2.76Å; L84-L87 VanDerWaalsContact O-N 3.1Å; L84-E88 WeakPolarHBondContact O-CG 3.12Å; L84-E88 PolarHBondContact O-N 2.99Å; L84-F135 HydrophobicContact CD2-CE2 4.12Å; L84-F135 HydrophobicContact CD2-CZ 3.83Å
85	Q	98.6	Very high	97.3	Very high	51 Å²	51	31.4 Å²	31.4	24%	0.238	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-35.4	177.7	-71.8	178.9	-18.9	0	0	112.1	I55 V81 M82 L87 E88 K89	I55-Q85 HydrophobicContact CB-CB 3.93Å; I55-Q85 HydrophobicContact CG1-CB 3.93Å; V81-Q85 HydrophobicContact CG1-CG 4.35Å; V81-Q85 WeakPolarHBondContact O-CG 3.31Å; V81-Q85 PolarHBondContact O-N 3.21Å; M82-Q85 PolarHBondContact O-N 2.92Å; Q85-L87 VanDerWaalsContact C-N 3.33Å; Q85-L87 PolarHBondContact O-N 2.75Å; Q85-E88 WeakPolarHBondContact O-CB 3.07Å; Q85-E88 PolarHBondContact O-N 3.17Å; Q85-K89 WeakPolarHBondContact O-CG 3.03Å; Q85-K89 PolarHBondContact O-N 3.23Å
86	L	98.8	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-44.5	174.6	179.7	62.8	0	0	0	111.2	I55 L67 F78 M82 M83 L84 K89 V90 M136 T139 L140 F165	I55-L86 HydrophobicContact CG1-CB 4.25Å; I55-L86 HydrophobicContact CG2-CD1 4.46Å; L67-L86 HydrophobicContact CD2-CD1 3.88Å; F78-L86 HydrophobicContact CE1-CB 4.26Å; F78-L86 HydrophobicContact CE1-CD2 3.83Å; F78-L86 HydrophobicContact CZ-CD2 4.22Å; M82-L86 WeakPolarHBondContact O-CB 3.38Å; M82-L86 PolarHBondContact O-N 2.9Å; M83-L86 PolarHBondContact O-N 3.21Å; L84-L86 VanDerWaalsContact C-N 3.27Å; L84-L86 PolarHBondContact O-N 3.34Å; L86-K89 PolarHBondContact O-N 3.49Å; L86-V90 VanDerWaalsContact O-CG2 3.31Å; L86-V90 WeakPolarHBondContact O-CG2 3.33Å; L86-V90 PolarHBondContact O-N 2.87Å; L86-M136 HydrophobicContact CD2-CE 4.13Å; L86-T139 HydrophobicContact CB-CG2 4.33Å; L86-T139 HydrophobicContact CD2-CG2 3.87Å; L86-T139 HydrophobicContact CG-CG2 3.74Å; L86-L140 HydrophobicContact CD2-CD2 3.94Å; L86-F165 HydrophobicContact CD1-CE1 3.99Å; L86-F165 HydrophobicContact CD1-CZ 3.79Å; L86-F165 HydrophobicContact CD2-CE1 4.01Å; L86-F165 HydrophobicContact CD2-CZ 4.22Å
87	L	98.1	Very high	96.9	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-42.4	175.2	179	60	0	0	0	111.6	M83 L84 Q85 K89 V90 I91 F135 T139	M83-L87 PolarHBondContact O-N 2.92Å; L84-L87 WeakPolarHBondContact O-CB 3.42Å; L84-L87 PolarHBondContact O-N 2.76Å; L84-L87 VanDerWaalsContact O-N 3.1Å; Q85-L87 VanDerWaalsContact C-N 3.33Å; Q85-L87 PolarHBondContact O-N 2.75Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 PolarHBondContact O-N 3.3Å; L87-V90 PolarHBondContact O-N 3.39Å; L87-I91 HydrophobicContact CD1-CD1 4.31Å; L87-I91 HydrophobicContact CG-CD1 4.06Å; L87-I91 WeakPolarHBondContact O-CG1 3.49Å; L87-I91 PolarHBondContact O-N 3.03Å; L87-F135 HydrophobicContact CB-CZ 4.01Å; L87-F135 HydrophobicContact CD2-CE2 3.72Å; L87-F135 HydrophobicContact CD2-CZ 3.7Å; L87-T139 HydrophobicContact CB-CG2 4.1Å; L87-T139 HydrophobicContact CD1-CG2 4.41Å
88	E	98.3	Very high	96.6	Very high	115 Å²	115	37.9 Å²	37.9	54%	0.537	19%	0.19	S	C	.	.	H	α-helix	trans	-58.5	-44.8	174.7	-68.3	170.5	-178.6	0	0	111.7	L84 Q85 I91 E92	L84-E88 WeakPolarHBondContact O-CG 3.12Å; L84-E88 PolarHBondContact O-N 2.99Å; Q85-E88 WeakPolarHBondContact O-CB 3.07Å; Q85-E88 PolarHBondContact O-N 3.17Å; E88-I91 PolarHBondContact O-N 2.82Å; E88-E92 WeakPolarHBondContact O-CB 3.4Å; E88-E92 PolarHBondContact O-N 3.13Å
89	K	98.7	Very high	96.5	Very high	48 Å²	48	37.9 Å²	37.9	21%	0.209	19%	0.19	C	C	.	.	H	α-helix	trans	-68.3	-35	176.9	-63.9	-47.3	174.7	179.5	0	112.9	I55 L57 L67 Q85 L86 L87 E92 L93	I55-K89 HydrophobicContact CG2-CB 4.48Å; I55-K89 HydrophobicContact CG2-CG 3.97Å; L57-K89 HydrophobicContact CB-CD 3.88Å; L57-K89 HydrophobicContact CB-CG 4.35Å; L57-K89 HydrophobicContact CD2-CD 4.11Å; L67-K89 HydrophobicContact CD1-CB 3.89Å; L67-K89 HydrophobicContact CD1-CG 4.06Å; Q85-K89 WeakPolarHBondContact O-CG 3.03Å; Q85-K89 PolarHBondContact O-N 3.23Å; L86-K89 PolarHBondContact O-N 3.49Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 PolarHBondContact O-N 3.3Å; K89-E92 WeakPolarHBondContact CD-OE2 3.39Å; K89-E92 IonicContact NZ-OE2 2.8Å; K89-E92 PolarHBondContact NZ-OE2 3.49Å; K89-E92 PolarHBondContact O-N 3.34Å; K89-L93 WeakPolarHBondContact O-CB 3.22Å; K89-L93 WeakPolarHBondContact O-CD1 3.27Å; K89-L93 WeakPolarHBondContact O-CG 3.44Å; K89-L93 PolarHBondContact O-N 3.33Å
90	V	98.5	Very high	96.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-49.1	170.6	168.7	0	0	0	0	110.2	L86 L87 E92 L93 E94 T139 R142 F143 L146	L86-V90 VanDerWaalsContact O-CG2 3.31Å; L86-V90 WeakPolarHBondContact O-CG2 3.33Å; L86-V90 PolarHBondContact O-N 2.87Å; L87-V90 PolarHBondContact O-N 3.39Å; V90-E92 VanDerWaalsContact C-N 3.3Å; V90-E92 PolarHBondContact O-N 2.89Å; V90-L93 PolarHBondContact O-N 2.9Å; V90-E94 HydrophobicContact CG1-CG 4.39Å; V90-E94 VanDerWaalsContact O-CG 3.29Å; V90-E94 WeakPolarHBondContact O-CG 3.25Å; V90-E94 PolarHBondContact O-N 3.29Å; V90-T139 HydrophobicContact CG2-CG2 4.31Å; V90-R142 HydrophobicContact CG1-CB 3.64Å; V90-F143 HydrophobicContact CG2-CB 3.9Å; V90-F143 HydrophobicContact CG2-CD2 3.8Å; V90-F143 HydrophobicContact CG2-CG 4.36Å; V90-L146 HydrophobicContact CG1-CD2 4.45Å
91	I	97.2	Very high	96.8	Very high	70 Å²	70	39.8 Å²	39.8	36%	0.359	20%	0.198	S	C	.	.	H	α-helix	trans	-58.8	-42.4	176.2	-67.1	158.2	0	0	0	111.1	L87 E88 L93 N95	L87-I91 HydrophobicContact CD1-CD1 4.31Å; L87-I91 HydrophobicContact CG-CD1 4.06Å; L87-I91 WeakPolarHBondContact O-CG1 3.49Å; L87-I91 PolarHBondContact O-N 3.03Å; E88-I91 PolarHBondContact O-N 2.82Å; I91-L93 VanDerWaalsContact C-N 3.34Å; I91-L93 PolarHBondContact O-N 2.94Å; I91-N95 PolarHBondContact O-ND2 2.95Å
92	E	97.9	Very high	96.9	Very high	71 Å²	71	38.2 Å²	38.2	33%	0.332	19%	0.188	S	C	.	.	H	α-helix	trans	-61.9	-42.1	177.5	-165.7	-169.9	141.6	0	0	111.8	K59 E88 K89 V90 N95 W96	K59-E92 WeakPolarHBondContact CE-OE1 3.38Å; K59-E92 IonicContact NZ-OE1 2.68Å; K59-E92 PolarHBondContact NZ-OE1 2.99Å; E88-E92 WeakPolarHBondContact O-CB 3.4Å; E88-E92 PolarHBondContact O-N 3.13Å; K89-E92 WeakPolarHBondContact CD-OE2 3.39Å; K89-E92 IonicContact NZ-OE2 2.8Å; K89-E92 PolarHBondContact NZ-OE2 3.49Å; K89-E92 PolarHBondContact O-N 3.34Å; V90-E92 VanDerWaalsContact C-N 3.3Å; V90-E92 PolarHBondContact O-N 2.89Å; E92-N95 PolarHBondContact O-N 3.01Å; E92-W96 PolarHBondContact O-N 2.77Å
93	L	97.6	Very high	96.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-75	-33.3	-178.8	-71.9	165.5	0	0	0	113	L57 K89 V90 I91 N95 W96 L102 L146 L148	L57-L93 HydrophobicContact CD1-CD1 4.49Å; L57-L93 HydrophobicContact CD1-CD2 4.1Å; L57-L93 HydrophobicContact CD2-CD1 4.34Å; L57-L93 HydrophobicContact CD2-CD2 3.81Å; L57-L93 HydrophobicContact CD2-CG 3.88Å; K89-L93 WeakPolarHBondContact O-CB 3.22Å; K89-L93 WeakPolarHBondContact O-CD1 3.27Å; K89-L93 WeakPolarHBondContact O-CG 3.44Å; K89-L93 PolarHBondContact O-N 3.33Å; V90-L93 PolarHBondContact O-N 2.9Å; I91-L93 VanDerWaalsContact C-N 3.34Å; I91-L93 PolarHBondContact O-N 2.94Å; L93-N95 PolarHBondContact O-N 3.2Å; L93-W96 HydrophobicContact CD2-CE3 3.71Å; L93-W96 HydrophobicContact CD2-CZ3 4.25Å; L93-W96 PolarHBondContact O-N 3.4Å; L93-L102 HydrophobicContact CD1-CD1 4.03Å; L93-L102 HydrophobicContact CD1-CD2 3.73Å; L93-L102 HydrophobicContact CD2-CD1 4.2Å; L93-L146 HydrophobicContact CB-CD1 4.15Å; L93-L146 HydrophobicContact CB-CD2 3.67Å; L93-L146 HydrophobicContact CD1-CD1 4.09Å; L93-L148 HydrophobicContact CB-CD1 4.05Å; L93-L148 HydrophobicContact CD2-CD1 3.74Å; L93-L148 HydrophobicContact CG-CD1 4.38Å
94	E	95.5	Very high	97	Very high	17 Å²	17	37.9 Å²	37.9	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-55.3	-33.6	172.3	-76.9	174.4	164.9	0	0	111.7	T27 G28 V90 R142 L146	T27-E94 HydrophobicContact CG2-CB 3.62Å; T27-E94 HydrophobicContact CG2-CG 3.48Å; T27-E94 VanDerWaalsContact CG2-CG 3.48Å; G28-E94 WeakPolarHBondContact CA-OE2 3.47Å; G28-E94 PolarHBondContact N-OE1 2.94Å; V90-E94 HydrophobicContact CG1-CG 4.39Å; V90-E94 VanDerWaalsContact O-CG 3.29Å; V90-E94 WeakPolarHBondContact O-CG 3.25Å; V90-E94 PolarHBondContact O-N 3.29Å; E94-R142 VanDerWaalsContact CD-NH2 3.29Å; E94-R142 IonicContact OE1-CZ 2.63Å; E94-R142 IonicContact OE1-NE 2.7Å; E94-R142 PolarHBondContact OE1-NE 2.79Å; E94-R142 IonicContact OE1-NH2 3.27Å; E94-R142 PolarHBondContact OE1-NH2 3.08Å; E94-R142 VanDerWaalsContact OE1-NH2 3.17Å; E94-R142 IonicContact OE2-CZ 3.44Å; E94-R142 IonicContact OE2-NE 3.61Å; E94-R142 IonicContact OE2-NH2 3.17Å; E94-R142 PolarHBondContact OE2-NH2 3.38Å; E94-L146 HydrophobicContact CB-CD2 4.39Å; E94-L146 HydrophobicContact CG-CD2 3.68Å
95	N	94.5	Very high	97	Very high	118 Å²	118	37.9 Å²	37.9	63%	0.631	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.3	-177.6	-65.3	-67.5	0	0	0	114.2	I91 E92 L93 T97	I91-N95 PolarHBondContact O-ND2 2.95Å; E92-N95 PolarHBondContact O-N 3.01Å; L93-N95 PolarHBondContact O-N 3.2Å; N95-T97 PolarHBondContact O-N 3.22Å; N95-T97 VanDerWaalsContact O-N 3.17Å
96	W	95.3	Very high	97	Very high	31 Å²	31	35.4 Å²	35.4	12%	0.117	17%	0.174	C	C	.	.			trans	-80.1	98.5	-179.4	-178.8	32	0	0	0	110.7	K59 G63 E92 L93 G99 L148 R261	K59-W96 HydrophobicContact CB-CH2 4.2Å; K59-W96 HydrophobicContact CB-CZ2 3.84Å; K59-W96 HydrophobicContact CD-CD2 3.99Å; K59-W96 HydrophobicContact CD-CG 4.23Å; K59-W96 HydrophobicContact CD-CZ2 4.23Å; K59-W96 HydrophobicContact CG-CD2 4.22Å; K59-W96 HydrophobicContact CG-CE3 4.37Å; K59-W96 HydrophobicContact CG-CH2 4.02Å; K59-W96 HydrophobicContact CG-CZ2 3.84Å; K59-W96 HydrophobicContact CG-CZ3 4.29Å; G63-W96 WeakPolarHBondContact O-CH2 3.42Å; E92-W96 PolarHBondContact O-N 2.77Å; L93-W96 HydrophobicContact CD2-CE3 3.71Å; L93-W96 HydrophobicContact CD2-CZ3 4.25Å; L93-W96 PolarHBondContact O-N 3.4Å; W96-G99 VanDerWaalsContact CD2-CA 3.46Å; W96-G99 VanDerWaalsContact CE3-CA 3.43Å; W96-G99 PolarHBondContact O-N 3.17Å; W96-L148 HydrophobicContact CE3-CD1 4.1Å; W96-L148 HydrophobicContact CE3-CD2 4.28Å; W96-L148 HydrophobicContact CZ3-CD1 4.42Å; W96-R261 PolarHBondContact O-NH1 3.42Å
97	T	90.6	Very high	97	Very high	88 Å²	88	36 Å²	36	54%	0.54	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-35.7	-172.7	53	0	0	0	0	114.3	N95 G99 R261	N95-T97 PolarHBondContact O-N 3.22Å; N95-T97 VanDerWaalsContact O-N 3.17Å; T97-G99 VanDerWaalsContact C-N 3.28Å; T97-G99 PolarHBondContact O-N 3.35Å; T97-R261 PolarHBondContact O-NH1 2.83Å; T97-R261 VanDerWaalsContact O-NH1 3.11Å
98	E	91.6	Very high	96.9	Very high	119 Å²	119	42.6 Å²	42.6	56%	0.556	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.8	-178.4	-50.6	-44.8	119.1	0	0	113.3
99	G	95.5	Very high	96.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.			trans	-67.3	138.3	-178.8	0	0	0	0	0	112.5	W96 T97 L148 R261	W96-G99 VanDerWaalsContact CD2-CA 3.46Å; W96-G99 VanDerWaalsContact CE3-CA 3.43Å; W96-G99 PolarHBondContact O-N 3.17Å; T97-G99 VanDerWaalsContact C-N 3.28Å; T97-G99 PolarHBondContact O-N 3.35Å; G99-L148 VanDerWaalsContact O-CD2 3.29Å; G99-L148 WeakPolarHBondContact O-CD2 3.24Å; G99-R261 PolarHBondContact O-NH1 2.81Å
100	K	97.5	Very high	96.5	Very high	39 Å²	39	38.7 Å²	38.7	17%	0.17	19%	0.193	C	C	.	.			trans	-124.8	-39.3	176.9	-65.9	172.7	-78.8	176	0	112.4	S62 G63 I149 I253 P257 I260	S62-K100 WeakPolarHBondContact O-CE 3.37Å; S62-K100 PolarHBondContact O-NZ 2.81Å; G63-K100 PolarHBondContact O-N 2.94Å; K100-I149 PolarHBondContact O-N 2.93Å; K100-I253 HydrophobicContact CB-CB 3.9Å; K100-I253 HydrophobicContact CB-CD1 4.23Å; K100-I253 HydrophobicContact CB-CG2 4.12Å; K100-P257 HydrophobicContact CD-CB 4.32Å; K100-P257 HydrophobicContact CD-CG 4Å; K100-P257 HydrophobicContact CG-CB 3.87Å; K100-P257 HydrophobicContact CG-CG 4.06Å; K100-I260 HydrophobicContact CB-CD1 4.3Å; K100-I260 HydrophobicContact CD-CD1 3.76Å; K100-I260 HydrophobicContact CG-CD1 4Å
101	G	98.4	Very high	96.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	158.6	-176.7	0	0	0	0	0	112.5	G63 I64 G65 I149	G63-G101 PolarHBondContact O-N 2.81Å; G63-G101 VanDerWaalsContact O-N 3.12Å; I64-G101 WeakPolarHBondContact CA-O 3.44Å; G65-G101 PolarHBondContact N-O 2.8Å; G101-I149 CarbonylContact C-O 3.59Å; G101-I149 VanDerWaalsContact CA-O 3.29Å; G101-I149 WeakPolarHBondContact CA-O 3.39Å
102	L	98.9	Very high	96.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.1	177	-177.4	67.2	0	0	0	109.9	L57 G65 L67 L93 F143 L146 L148 I149 S150 V151	L57-L102 HydrophobicContact CD1-CD1 4.23Å; G65-L102 CarbonylContact O-C 3.18Å; G65-L102 WeakPolarHBondContact O-CA 3.41Å; L67-L102 HydrophobicContact CB-CD1 4.15Å; L93-L102 HydrophobicContact CD1-CD1 4.03Å; L93-L102 HydrophobicContact CD1-CD2 3.73Å; L93-L102 HydrophobicContact CD2-CD1 4.2Å; L102-F143 HydrophobicContact CD2-CE1 4.5Å; L102-F143 HydrophobicContact CD2-CE2 3.56Å; L102-F143 HydrophobicContact CD2-CZ 3.45Å; L102-F143 VanDerWaalsContact CD2-CZ 3.45Å; L102-F143 HydrophobicContact CG-CZ 4.48Å; L102-L146 HydrophobicContact CD2-CD1 3.92Å; L102-L148 HydrophobicContact CB-CB 4.31Å; L102-L148 HydrophobicContact CB-CD1 4.27Å; L102-I149 PolarHBondContact N-O 3.05Å; L102-S150 CarbonylContact O-C 3.54Å; L102-S150 VanDerWaalsContact O-CA 3.3Å; L102-S150 WeakPolarHBondContact O-CA 3.47Å; L102-V151 PolarHBondContact O-N 3.23Å
103	I	98.9	Very high	96.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.9	170.6	-61.1	174.3	0	0	0	108	I64 G65 I66 L67 V151 L153 L242 A245 Q246 L249	I64-I103 HydrophobicContact CG2-CD1 4.21Å; I64-I103 HydrophobicContact CG2-CG1 4.23Å; G65-I103 PolarHBondContact O-N 2.88Å; I66-I103 WeakPolarHBondContact CA-O 3.46Å; L67-I103 PolarHBondContact N-O 2.98Å; I103-V151 CarbonylContact C-O 3.58Å; I103-V151 WeakPolarHBondContact CA-O 3.39Å; I103-L153 HydrophobicContact CG2-CB 3.89Å; I103-L153 HydrophobicContact CG2-CD2 4.47Å; I103-L242 HydrophobicContact CD1-CD1 4.25Å; I103-L242 HydrophobicContact CG2-CD1 4.11Å; I103-A245 HydrophobicContact CD1-CB 4.08Å; I103-Q246 HydrophobicContact CD1-CB 4.28Å; I103-Q246 HydrophobicContact CD1-CG 3.56Å; I103-L249 HydrophobicContact CD1-CD2 4.3Å; I103-L249 HydrophobicContact CG1-CD2 3.75Å
104	V	98.9	Very high	96.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.5	170.9	-172.1	0	0	0	0	108.5	L67 L69 F111 F143 V151 L153 F165	L67-V104 HydrophobicContact CB-CG2 4.36Å; L67-V104 HydrophobicContact CD2-CG1 4.41Å; L67-V104 HydrophobicContact CD2-CG2 4.24Å; L67-V104 WeakPolarHBondContact O-CA 3.45Å; L69-V104 HydrophobicContact CD2-CG1 4.4Å; L69-V104 HydrophobicContact CG-CG1 4.4Å; V104-F111 HydrophobicContact CB-CE2 4.33Å; V104-F111 HydrophobicContact CG1-CE2 3.92Å; V104-F111 HydrophobicContact CG1-CZ 3.91Å; V104-F143 HydrophobicContact CG2-CE1 4.26Å; V104-F143 HydrophobicContact CG2-CE2 3.99Å; V104-F143 HydrophobicContact CG2-CZ 3.35Å; V104-V151 PolarHBondContact N-O 3.08Å; V104-L153 PolarHBondContact O-N 3.14Å; V104-F165 HydrophobicContact CG1-CE1 4.02Å; V104-F165 HydrophobicContact CG1-CZ 3.93Å; V104-F165 HydrophobicContact CG2-CZ 4.36Å
105	R	98.7	Very high	96.3	Very high	21 Å²	21	34.1 Å²	34.1	8%	0.079	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	164.4	175.8	66.3	176.8	-60.7	-122.1	-34	111.2	I66 L67 T68 L69 L153 E238	I66-R105 HydrophobicContact CG2-CG 4.38Å; L67-R105 PolarHBondContact O-N 3.3Å; T68-R105 CarbonylContact C-O 3.57Å; T68-R105 WeakPolarHBondContact CA-O 3.38Å; L69-R105 PolarHBondContact N-O 3.27Å; R105-L153 HydrophobicContact CB-CB 4.2Å; R105-L153 HydrophobicContact CB-CD2 4.37Å; R105-L153 HydrophobicContact CB-CG 4.47Å; R105-E238 IonicContact CZ-OE1 2.65Å; R105-E238 IonicContact NH1-OE1 2.59Å; R105-E238 VanDerWaalsContact NH2-CD 3.29Å; R105-E238 IonicContact NH2-OE1 3.76Å; R105-E238 PolarHBondContact NH2-OE1 3.14Å
106	G	98.6	Very high	96	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	150.5	167.7	0	0	0	0	0	112	L69 T110 F111	L69-G106 WeakPolarHBondContact O-CA 3.25Å; G106-T110 CarbonylContact C-O 3.53Å; G106-T110 WeakPolarHBondContact CA-O 3.39Å; G106-F111 WeakPolarHBondContact CA-O 3.13Å
107	A	97.9	Very high	94.9	Very high	11 Å²	11	32.4 Å²	32.4	9%	0.091	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-66	147.9	175.7	0	0	0	0	0	111.3	T68 L69 N70 N76 N109	T68-A107 HydrophobicContact CG2-CB 4.1Å; L69-A107 PolarHBondContact O-N 3.26Å; N70-A107 HydrophobicContact CB-CB 4.42Å; N76-A107 PolarHBondContact ND2-N 3.28Å; N76-A107 VanDerWaalsContact ND2-N 3.16Å; N76-A107 PolarHBondContact ND2-O 2.87Å; A107-N109 PolarHBondContact O-N 3.1Å
108	K	96	Very high	94	Very high	144 Å²	144	32.7 Å²	32.7	63%	0.626	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	58.4	45	173.3	-58	-62.5	-175.1	-173.6	0	113.9	P72 T110 E238	P72-K108 HydrophobicContact CB-CB 3.99Å; P72-K108 HydrophobicContact CB-CG 3.74Å; P72-K108 HydrophobicContact CG-CG 4.28Å; K108-T110 VanDerWaalsContact C-N 3.25Å; K108-T110 PolarHBondContact O-N 2.93Å; K108-T110 VanDerWaalsContact O-N 3.16Å; K108-E238 PolarHBondContact N-OE1 3.32Å
109	N	92.2	Very high	93	Very high	54 Å²	54	27.4 Å²	27.4	29%	0.289	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	55.3	32.9	172.1	-69.6	-23.9	0	0	0	115.5	A107 Q155 G156 S236 E238	A107-N109 PolarHBondContact O-N 3.1Å; N109-Q155 CarbonylContact C-O 3.38Å; N109-Q155 HydrophobicContact CB-CB 4.39Å; N109-Q155 CarbonylContact O-C 3.47Å; N109-Q155 PolarHBondContact OD1-NE2 3.39Å; N109-G156 WeakPolarHBondContact O-CA 3.27Å; N109-G156 PolarHBondContact O-N 3.48Å; N109-S236 PolarHBondContact ND2-O 3.36Å; N109-E238 VanDerWaalsContact OD1-CA 3.25Å; N109-E238 WeakPolarHBondContact OD1-CA 3.33Å; N109-E238 VanDerWaalsContact OD1-CB 3.27Å; N109-E238 WeakPolarHBondContact OD1-CB 3.06Å; N109-E238 WeakPolarHBondContact OD1-CG 3.34Å
110	T	97.1	Very high	91.8	Very high	28 Å²	28	30.4 Å²	30.4	17%	0.172	16%	0.163	C	C	.	.			trans	-133.5	127.9	168.1	-65.5	0	0	0	0	107.6	M75 N76 G106 K108 Q155 W157	M75-T110 HydrophobicContact CB-CG2 3.94Å; N76-T110 PolarHBondContact ND2-O 3.25Å; G106-T110 CarbonylContact C-O 3.53Å; G106-T110 WeakPolarHBondContact CA-O 3.39Å; K108-T110 VanDerWaalsContact C-N 3.25Å; K108-T110 PolarHBondContact O-N 2.93Å; K108-T110 VanDerWaalsContact O-N 3.16Å; T110-Q155 CarbonylContact C-O 3.53Å; T110-Q155 VanDerWaalsContact C-O 3.29Å; T110-Q155 WeakPolarHBondContact CA-O 3.47Å; T110-W157 HydrophobicContact CG2-CB 4.39Å
111	F	98.6	Very high	90.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.			trans	-66.8	-68.6	-179.5	-174.9	-95.6	0	0	0	111.1	L69 N76 V104 G106 A152 L153 V154 Q155 W157 A158 G162 F165 T166	L69-F111 HydrophobicContact CD1-CD1 4.45Å; L69-F111 HydrophobicContact CD1-CE1 4.11Å; L69-F111 HydrophobicContact CD1-CZ 4.2Å; N76-F111 WeakPolarHBondContact CB-O 3.48Å; V104-F111 HydrophobicContact CB-CE2 4.33Å; V104-F111 HydrophobicContact CG1-CE2 3.92Å; V104-F111 HydrophobicContact CG1-CZ 3.91Å; G106-F111 WeakPolarHBondContact CA-O 3.13Å; F111-A152 HydrophobicContact CE2-CB 4.17Å; F111-A152 HydrophobicContact CZ-CB 4.35Å; F111-L153 WeakPolarHBondContact CD2-O 2.98Å; F111-V154 HydrophobicContact CB-CG1 4.29Å; F111-V154 HydrophobicContact CD2-CG2 4.36Å; F111-Q155 PolarHBondContact N-O 3Å; F111-W157 WeakPolarHBondContact CB-O 3.46Å; F111-W157 PolarHBondContact N-O 2.97Å; F111-A158 HydrophobicContact CB-CB 4.06Å; F111-A158 HydrophobicContact CD1-CB 3.8Å; F111-A158 HydrophobicContact CG-CB 4.21Å; F111-G162 VanDerWaalsContact CE1-O 3.31Å; F111-G162 WeakPolarHBondContact CE1-O 3.38Å; F111-F165 HydrophobicContact CE1-CB 4.26Å; F111-T166 HydrophobicContact CD1-CG2 3.97Å; F111-T166 HydrophobicContact CE1-CG2 3.67Å; F111-T166 HydrophobicContact CZ-CG2 4.02Å
112	S	98.5	Very high	89	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-172.5	140.9	174.4	177.6	0	0	0	0	110.6	M75 N76 G114 W157 A158 L159	M75-S112 CarbonylContact O-C 3.4Å; M75-S112 WeakPolarHBondContact O-CA 3.49Å; N76-S112 WeakPolarHBondContact O-CB 3.29Å; N76-S112 PolarHBondContact O-OG 3.29Å; S112-G114 VanDerWaalsContact C-N 3.29Å; S112-G114 PolarHBondContact OG-N 3.16Å; S112-G114 VanDerWaalsContact OG-N 3.12Å; S112-W157 PolarHBondContact N-O 3.44Å; S112-A158 CarbonylContact O-C 3.5Å; S112-A158 WeakPolarHBondContact O-CA 3.3Å; S112-L159 PolarHBondContact O-N 2.86Å
113	S	97	Very high	87.9	Confident	29 Å²	29	41.4 Å²	41.4	20%	0.203	22%	0.221	C	C	.	.			trans	-85.1	6.4	171.4	64.9	0	0	0	0	114.7	K74 M75 A77 L159	K74-S113 PolarHBondContact O-OG 2.86Å; M75-S113 PolarHBondContact O-N 3.31Å; A77-S113 WeakPolarHBondContact CB-OG 3.39Å; S113-L159 CarbonylContact C-O 3.49Å
114	G	95.2	Very high	86.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	90.7	-145	-178.6	0	0	0	0	0	113.3	A77 F78 S112 L159 G162	A77-G114 CarbonylContact C-O 3.29Å; A77-G114 WeakPolarHBondContact CA-O 3.48Å; F78-G114 PolarHBondContact N-O 2.82Å; S112-G114 VanDerWaalsContact C-N 3.29Å; S112-G114 PolarHBondContact OG-N 3.16Å; S112-G114 VanDerWaalsContact OG-N 3.12Å; G114-L159 PolarHBondContact N-O 2.65Å; G114-G162 VanDerWaalsContact CA-N 3.26Å
115	S	92.8	Very high	86.3	Confident	34 Å²	34	47.6 Å²	47.6	24%	0.238	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-66.4	141.6	179.7	-54.3	0	0	0	0	112.2	L117 W193	S115-L117 PolarHBondContact O-N 2.82Å; S115-W193 WeakPolarHBondContact OG-CZ2 3.38Å
116	D	87.2	Confident	85.9	Confident	14 Å²	14	51.1 Å²	51.1	8%	0.075	30%	0.298	C	S	.	.			trans	-64.4	118.9	166.8	-171.9	-22.1	0	0	0	109.8	K74 A77 F78 N118 A119 V120	K74-D116 VanDerWaalsContact CD-OD2 3.28Å; K74-D116 WeakPolarHBondContact CD-OD2 3.46Å; K74-D116 VanDerWaalsContact NZ-CG 3.34Å; K74-D116 IonicContact NZ-OD1 2.74Å; K74-D116 PolarHBondContact NZ-OD1 3.24Å; K74-D116 IonicContact NZ-OD2 2.81Å; K74-D116 PolarHBondContact NZ-OD2 2.87Å; A77-D116 HydrophobicContact CB-CB 4.2Å; F78-D116 WeakPolarHBondContact O-CB 3.44Å; F78-D116 PolarHBondContact O-N 3.12Å; D116-N118 PolarHBondContact O-N 3.44Å; D116-N118 VanDerWaalsContact O-N 3.13Å; D116-N118 PolarHBondContact OD1-N 2.7Å; D116-A119 HydrophobicContact CB-CB 4.44Å; D116-A119 WeakPolarHBondContact O-CB 3.43Å; D116-A119 PolarHBondContact O-N 3.09Å; D116-V120 PolarHBondContact O-N 2.94Å; D116-V120 VanDerWaalsContact O-N 3.1Å
117	L	72	Confident	85.5	Confident	99 Å²	99	56.8 Å²	56.8	52%	0.518	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-25.3	-176.6	-64.5	178.2	0	0	0	113	S115 V120 K121 M187	S115-L117 PolarHBondContact O-N 2.82Å; L117-V120 PolarHBondContact O-N 3.12Å; L117-K121 WeakPolarHBondContact O-CB 3.41Å; L117-K121 VanDerWaalsContact O-CG 3.27Å; L117-K121 WeakPolarHBondContact O-CG 3.34Å; L117-K121 PolarHBondContact O-N 2.61Å; L117-M187 HydrophobicContact CD2-CE 3.94Å
118	N	73.6	Confident	85	Confident	95 Å²	95	57.2 Å²	57.2	51%	0.508	33%	0.325	S	S	.	.	H	α-helix	trans	-70.4	-37.7	175.6	-69.9	-13.1	0	0	0	111.5	D116 S122	D116-N118 PolarHBondContact O-N 3.44Å; D116-N118 VanDerWaalsContact O-N 3.13Å; D116-N118 PolarHBondContact OD1-N 2.7Å; N118-S122 PolarHBondContact O-N 2.97Å; N118-S122 PolarHBondContact O-OG 2.94Å
119	A	69.8	Low	84.6	Confident	7 Å²	7	52.3 Å²	52.3	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-67.1	-41.7	173.3	0	0	0	0	0	110.9	F50 D116 K121 S122 L123	F50-A119 HydrophobicContact CB-CB 3.94Å; F50-A119 HydrophobicContact CD1-CB 3.88Å; F50-A119 HydrophobicContact CD2-CB 4.21Å; F50-A119 HydrophobicContact CE1-CB 4.5Å; F50-A119 HydrophobicContact CG-CB 3.72Å; D116-A119 HydrophobicContact CB-CB 4.44Å; D116-A119 WeakPolarHBondContact O-CB 3.43Å; D116-A119 PolarHBondContact O-N 3.09Å; A119-K121 PolarHBondContact O-N 2.88Å; A119-S122 PolarHBondContact O-N 2.92Å; A119-L123 WeakPolarHBondContact O-CB 3.3Å; A119-L123 WeakPolarHBondContact O-CG 3.36Å; A119-L123 PolarHBondContact O-N 2.9Å; A119-L123 VanDerWaalsContact O-N 3.12Å
120	V	69.4	Low	84.6	Confident	64 Å²	64	55 Å²	55	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-41.1	176.9	178.2	0	0	0	0	112	D116 L117 S122 L123	D116-V120 PolarHBondContact O-N 2.94Å; D116-V120 VanDerWaalsContact O-N 3.1Å; L117-V120 PolarHBondContact O-N 3.12Å; V120-S122 VanDerWaalsContact C-N 3.32Å; V120-S122 PolarHBondContact O-N 3.2Å; V120-L123 CarbonylContact O-C 3.44Å; V120-L123 PolarHBondContact O-N 2.71Å
121	K	67	Low	84.3	Confident	164 Å²	164	54.6 Å²	54.6	71%	0.713	33%	0.327	S	S	*	.	H	α-helix	trans	-64.8	-35	178.9	-78.1	174.5	-176.9	-178.8	0	113.2	L117 A119	L117-K121 WeakPolarHBondContact O-CB 3.41Å; L117-K121 VanDerWaalsContact O-CG 3.27Å; L117-K121 WeakPolarHBondContact O-CG 3.34Å; L117-K121 PolarHBondContact O-N 2.61Å; A119-K121 PolarHBondContact O-N 2.88Å
122	S	70.9	Confident	84	Confident	79 Å²	79	55.7 Å²	55.7	55%	0.552	33%	0.334	S	S	*	.	H	α-helix	trans	-78.2	-22.5	177.4	-65.3	0	0	0	0	112.9	N118 A119 V120 G124	N118-S122 PolarHBondContact O-N 2.97Å; N118-S122 PolarHBondContact O-OG 2.94Å; A119-S122 PolarHBondContact O-N 2.92Å; V120-S122 VanDerWaalsContact C-N 3.32Å; V120-S122 PolarHBondContact O-N 3.2Å; S122-G124 PolarHBondContact O-N 3.22Å
123	L	75	Confident	83.8	Confident	27 Å²	27	57 Å²	57	14%	0.141	34%	0.342	C	S	.	.	S	Bend	trans	-98.4	62.2	175.4	-67.8	170.9	0	0	0	109.6	K46 L47 F50 A119 V120 D128 V132	K46-L123 HydrophobicContact CD-CD2 4.49Å; L47-L123 HydrophobicContact CD2-CD1 4.5Å; F50-L123 HydrophobicContact CD2-CD1 4.48Å; F50-L123 HydrophobicContact CE2-CD1 3.94Å; F50-L123 HydrophobicContact CE2-CD2 4.17Å; F50-L123 HydrophobicContact CE2-CG 3.93Å; F50-L123 HydrophobicContact CZ-CG 4.14Å; A119-L123 WeakPolarHBondContact O-CB 3.3Å; A119-L123 WeakPolarHBondContact O-CG 3.36Å; A119-L123 PolarHBondContact O-N 2.9Å; A119-L123 VanDerWaalsContact O-N 3.12Å; V120-L123 CarbonylContact O-C 3.44Å; V120-L123 PolarHBondContact O-N 2.71Å; L123-D128 HydrophobicContact CB-CB 3.9Å; L123-D128 HydrophobicContact CD2-CB 3.97Å; L123-V132 HydrophobicContact CD1-CG2 3.7Å
124	G	77.4	Confident	83.7	Confident	66 Å²	66	56.9 Å²	56.9	68%	0.68	34%	0.339	S	S	*	.			trans	-90.4	-3.7	-164.8	0	0	0	0	0	116	S122	S122-G124 PolarHBondContact O-N 3.22Å
125	T	88.2	Confident	83.7	Confident	63 Å²	63	57 Å²	57	39%	0.387	34%	0.34	S	S	.	.	S	Bend	trans	-93.9	155.5	-179.4	70.4	0	0	0	0	111.8	E127 D128 G129	T125-E127 WeakPolarHBondContact CB-OE2 3.47Å; T125-E127 PolarHBondContact O-N 3.33Å; T125-E127 PolarHBondContact OG1-OE2 3.47Å; T125-D128 PolarHBondContact O-N 2.97Å; T125-D128 WeakPolarHBondContact OG1-CB 3.39Å; T125-D128 PolarHBondContact OG1-N 3.35Å; T125-D128 PolarHBondContact OG1-OD2 3.09Å; T125-G129 PolarHBondContact O-N 3.47Å
126	P	89.7	Confident	83.9	Confident	95 Å²	95	55.3 Å²	55.3	62%	0.617	33%	0.328	S	S	*	.	H	α-helix	trans	-53.5	-38.6	170.6	-27.1	36.3	0	0	0	112.9	G129 M130	P126-G129 PolarHBondContact O-N 3.03Å; P126-M130 WeakPolarHBondContact O-CG 3.3Å; P126-M130 PolarHBondContact O-N 3.25Å
127	E	89.9	Confident	84.4	Confident	119 Å²	119	56.8 Å²	56.8	56%	0.556	34%	0.335	S	S	*	.	H	α-helix	trans	-65.8	-42.4	179.2	-63.4	69.6	-149	0	0	111.8	T125 M130 A131	T125-E127 WeakPolarHBondContact CB-OE2 3.47Å; T125-E127 PolarHBondContact O-N 3.33Å; T125-E127 PolarHBondContact OG1-OE2 3.47Å; E127-M130 HydrophobicContact CG-CE 4.42Å; E127-M130 PolarHBondContact O-N 3.43Å; E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 2.94Å
128	D	87.1	Confident	85.5	Confident	21 Å²	21	52.1 Å²	52.1	11%	0.112	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-43.4	175.2	-72.5	-29.2	0	0	0	111	K46 L123 T125 M130 A131 V132	K46-D128 IonicContact NZ-OD1 2.67Å; K46-D128 PolarHBondContact NZ-OD1 3.33Å; L123-D128 HydrophobicContact CB-CB 3.9Å; L123-D128 HydrophobicContact CD2-CB 3.97Å; T125-D128 PolarHBondContact O-N 2.97Å; T125-D128 WeakPolarHBondContact OG1-CB 3.39Å; T125-D128 PolarHBondContact OG1-N 3.35Å; T125-D128 PolarHBondContact OG1-OD2 3.09Å; D128-M130 PolarHBondContact O-N 3.23Å; D128-A131 PolarHBondContact O-N 2.94Å; D128-V132 WeakPolarHBondContact O-CG2 3.29Å; D128-V132 PolarHBondContact O-N 3.49Å
129	G	89	Confident	86.7	Confident	40 Å²	40	47.6 Å²	47.6	41%	0.412	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-45.3	175.3	0	0	0	0	0	112.7	T125 P126 C133	T125-G129 PolarHBondContact O-N 3.47Å; P126-G129 PolarHBondContact O-N 3.03Å; G129-C133 WeakPolarHBondContact O-CB 3.48Å; G129-C133 PolarHBondContact O-N 3.44Å
130	M	91.7	Very high	88	Confident	110 Å²	110	47.2 Å²	47.2	54%	0.542	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-43.1	175.8	-73.3	-171.4	-63.4	0	0	112.1	P126 E127 D128 V132 C133 M134	P126-M130 WeakPolarHBondContact O-CG 3.3Å; P126-M130 PolarHBondContact O-N 3.25Å; E127-M130 HydrophobicContact CG-CE 4.42Å; E127-M130 PolarHBondContact O-N 3.43Å; D128-M130 PolarHBondContact O-N 3.23Å; M130-V132 PolarHBondContact O-N 3.43Å; M130-C133 WeakPolarHBondContact O-CB 3.28Å; M130-C133 PolarHBondContact O-N 3.22Å; M130-M134 VanDerWaalsContact O-CG 3.25Å; M130-M134 WeakPolarHBondContact O-CG 3.39Å; M130-M134 PolarHBondContact O-N 3.23Å
131	A	91	Very high	89.3	Confident	21 Å²	21	44.9 Å²	44.9	17%	0.174	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-45.9	179.2	0	0	0	0	0	112.4	V43 E127 D128 M134 F135	V43-A131 HydrophobicContact CG1-CB 4.48Å; V43-A131 HydrophobicContact CG2-CB 3.8Å; E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 2.94Å; D128-A131 PolarHBondContact O-N 2.94Å; A131-M134 PolarHBondContact O-N 3.24Å; A131-F135 WeakPolarHBondContact O-CB 3.23Å; A131-F135 PolarHBondContact O-N 3.48Å
132	V	91.4	Very high	90.7	Very high	22 Å²	22	38.1 Å²	38.1	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-41.5	176.2	177.3	0	0	0	0	111.2	L47 M83 L123 D128 M130 F135 M136	L47-V132 HydrophobicContact CD2-CG2 4.35Å; M83-V132 HydrophobicContact CE-CG1 4.45Å; M83-V132 HydrophobicContact SD-CG1 4.15Å; L123-V132 HydrophobicContact CD1-CG2 3.7Å; D128-V132 WeakPolarHBondContact O-CG2 3.29Å; D128-V132 PolarHBondContact O-N 3.49Å; M130-V132 PolarHBondContact O-N 3.43Å; V132-F135 PolarHBondContact O-N 3.49Å; V132-M136 HydrophobicContact CG1-CG 4.43Å; V132-M136 PolarHBondContact O-N 3.39Å
133	C	94.2	Very high	92	Very high	27 Å²	27	34.3 Å²	34.3	18%	0.182	21%	0.212	C	C	.	.	H	α-helix	trans	-55.2	-51.9	174.7	174.9	0	0	0	0	110.8	G129 M130 F135 M136 Q137 S192	G129-C133 WeakPolarHBondContact O-CB 3.48Å; G129-C133 PolarHBondContact O-N 3.44Å; M130-C133 WeakPolarHBondContact O-CB 3.28Å; M130-C133 PolarHBondContact O-N 3.22Å; C133-F135 PolarHBondContact O-N 3.2Å; C133-M136 PolarHBondContact O-N 3.31Å; C133-Q137 VanDerWaalsContact O-CB 3.28Å; C133-Q137 WeakPolarHBondContact O-CB 3.46Å; C133-Q137 VanDerWaalsContact O-CG 3.25Å; C133-Q137 WeakPolarHBondContact O-CG 3.2Å; C133-Q137 PolarHBondContact O-N 3.45Å; C133-Q137 PolarHBondContact SG-NE2 2.94Å; C133-S192 PolarHBondContact SG-O 3.02Å
134	M	94.9	Very high	93	Very high	28 Å²	28	33.6 Å²	33.6	14%	0.138	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-42.8	178.7	-67.8	172.6	89.8	0	0	111.9	Y32 H36 F38 M130 A131 N138	Y32-M134 HydrophobicContact CD1-CE 3.43Å; Y32-M134 VanDerWaalsContact CD1-CE 3.43Å; Y32-M134 HydrophobicContact CD2-CB 3.66Å; Y32-M134 HydrophobicContact CD2-CE 4.24Å; Y32-M134 HydrophobicContact CD2-CG 4.18Å; Y32-M134 WeakPolarHBondContact CD2-O 3.21Å; Y32-M134 HydrophobicContact CE1-CE 4.1Å; Y32-M134 HydrophobicContact CE1-CG 4.49Å; Y32-M134 HydrophobicContact CE2-CB 3.87Å; Y32-M134 HydrophobicContact CE2-CG 4.21Å; Y32-M134 WeakPolarHBondContact CE2-O 3.33Å; Y32-M134 HydrophobicContact CG-CB 4.19Å; Y32-M134 HydrophobicContact CG-CE 3.52Å; Y32-M134 HydrophobicContact CG-CG 4.36Å; H36-M134 HydrophobicContact CB-CE 3.6Å; H36-M134 WeakPolarHBondContact O-CE 3.36Å; F38-M134 HydrophobicContact CB-CE 3.6Å; F38-M134 HydrophobicContact CB-SD 4.27Å; F38-M134 HydrophobicContact CD2-CB 3.7Å; F38-M134 HydrophobicContact CD2-SD 4.33Å; F38-M134 HydrophobicContact CE2-CB 4Å; F38-M134 HydrophobicContact CG-CB 4.45Å; F38-M134 HydrophobicContact CG-CE 4.34Å; M130-M134 VanDerWaalsContact O-CG 3.25Å; M130-M134 WeakPolarHBondContact O-CG 3.39Å; M130-M134 PolarHBondContact O-N 3.23Å; A131-M134 PolarHBondContact O-N 3.24Å; M134-N138 VanDerWaalsContact O-CB 3.23Å; M134-N138 WeakPolarHBondContact O-CB 3.01Å; M134-N138 PolarHBondContact O-N 2.9Å
135	F	95.8	Very high	93.8	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-49.7	176.8	-175.6	-86.9	0	0	0	111.8	F38 V43 K44 L47 M83 L84 L87 A131 V132 C133 N138 T139	F38-F135 HydrophobicContact CE2-CB 4.14Å; F38-F135 HydrophobicContact CZ-CB 4.32Å; F38-F135 HydrophobicContact CZ-CD2 4.2Å; V43-F135 HydrophobicContact CG1-CB 4.01Å; V43-F135 HydrophobicContact CG1-CD2 4.14Å; V43-F135 HydrophobicContact CG1-CG 4.26Å; K44-F135 HydrophobicContact CG-CE2 4.19Å; L47-F135 HydrophobicContact CD1-CD1 3.8Å; L47-F135 HydrophobicContact CD1-CD2 4.17Å; L47-F135 HydrophobicContact CD1-CE1 3.9Å; L47-F135 HydrophobicContact CD1-CE2 4.24Å; L47-F135 HydrophobicContact CD1-CG 3.97Å; L47-F135 HydrophobicContact CD1-CZ 4.12Å; M83-F135 HydrophobicContact CB-CD1 4.39Å; M83-F135 HydrophobicContact CB-CE1 3.91Å; M83-F135 WeakPolarHBondContact O-CE1 3.37Å; L84-F135 HydrophobicContact CD2-CE2 4.12Å; L84-F135 HydrophobicContact CD2-CZ 3.83Å; L87-F135 HydrophobicContact CB-CZ 4.01Å; L87-F135 HydrophobicContact CD2-CE2 3.72Å; L87-F135 HydrophobicContact CD2-CZ 3.7Å; A131-F135 WeakPolarHBondContact O-CB 3.23Å; A131-F135 PolarHBondContact O-N 3.48Å; V132-F135 PolarHBondContact O-N 3.49Å; C133-F135 PolarHBondContact O-N 3.2Å; F135-N138 WeakPolarHBondContact O-CB 3.34Å; F135-N138 PolarHBondContact O-N 3.4Å; F135-T139 WeakPolarHBondContact O-CB 3.42Å; F135-T139 PolarHBondContact O-N 3.24Å; F135-T139 PolarHBondContact O-OG1 3.31Å
136	M	97.3	Very high	94.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-73.8	-35.5	-178	-70.5	-57.7	-64.8	0	0	113	M83 L86 V132 C133 N138 T139 L140 W193	M83-M136 HydrophobicContact CB-SD 3.82Å; M83-M136 HydrophobicContact CG-CE 4.43Å; M83-M136 HydrophobicContact CG-SD 3.59Å; M83-M136 VanDerWaalsContact CG-SD 3.59Å; M83-M136 HydrophobicContact SD-CG 3.99Å; M83-M136 HydrophobicContact SD-SD 3.85Å; L86-M136 HydrophobicContact CD2-CE 4.13Å; V132-M136 HydrophobicContact CG1-CG 4.43Å; V132-M136 PolarHBondContact O-N 3.39Å; C133-M136 PolarHBondContact O-N 3.31Å; M136-N138 VanDerWaalsContact C-N 3.31Å; M136-N138 PolarHBondContact O-N 2.93Å; M136-T139 PolarHBondContact O-N 3.49Å; M136-L140 HydrophobicContact CE-CG 4.38Å; M136-L140 WeakPolarHBondContact O-CB 3.47Å; M136-L140 WeakPolarHBondContact O-CG 3.1Å; M136-L140 PolarHBondContact O-N 3Å; M136-W193 HydrophobicContact CB-CB 4.19Å; M136-W193 VanDerWaalsContact CB-CD1 3.47Å; M136-W193 HydrophobicContact CB-CD2 3.99Å; M136-W193 HydrophobicContact CB-CG 3.64Å; M136-W193 HydrophobicContact CE-CD2 3.86Å; M136-W193 HydrophobicContact CE-CE3 3.69Å; M136-W193 HydrophobicContact CE-CH2 3.91Å; M136-W193 HydrophobicContact CE-CZ2 4.06Å; M136-W193 HydrophobicContact CE-CZ3 3.71Å; M136-W193 HydrophobicContact CG-CD2 4.13Å; M136-W193 HydrophobicContact CG-CG 4.26Å; M136-W193 HydrophobicContact CG-CZ2 4.18Å
137	Q	96.8	Very high	94.4	Very high	45 Å²	45	25.5 Å²	25.5	21%	0.21	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-42.1	171.6	-76.3	179	6	0	0	111.3	Y32 C133 T141 S192	Y32-Q137 HydrophobicContact CE2-CB 4Å; Y32-Q137 PolarHBondContact OH-OE1 3.47Å; C133-Q137 VanDerWaalsContact O-CB 3.28Å; C133-Q137 WeakPolarHBondContact O-CB 3.46Å; C133-Q137 VanDerWaalsContact O-CG 3.25Å; C133-Q137 WeakPolarHBondContact O-CG 3.2Å; C133-Q137 PolarHBondContact O-N 3.45Å; C133-Q137 PolarHBondContact SG-NE2 2.94Å; Q137-T141 WeakPolarHBondContact O-CB 3.2Å; Q137-T141 PolarHBondContact O-N 2.99Å; Q137-T141 PolarHBondContact O-OG1 3.21Å; Q137-S192 WeakPolarHBondContact CG-O 2.99Å; Q137-S192 PolarHBondContact NE2-O 3.33Å
138	N	95.8	Very high	94.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.3	-55.7	174.6	-176.2	49.1	0	0	0	111.5	S30 L31 Y32 M134 F135 M136 L140 T141 R142	S30-N138 WeakPolarHBondContact CA-OD1 3.47Å; S30-N138 PolarHBondContact OG-ND2 3.28Å; S30-N138 PolarHBondContact OG-OD1 3.5Å; L31-N138 PolarHBondContact N-OD1 2.48Å; Y32-N138 HydrophobicContact CD2-CB 4.15Å; Y32-N138 HydrophobicContact CE2-CB 4.37Å; M134-N138 VanDerWaalsContact O-CB 3.23Å; M134-N138 WeakPolarHBondContact O-CB 3.01Å; M134-N138 PolarHBondContact O-N 2.9Å; F135-N138 WeakPolarHBondContact O-CB 3.34Å; F135-N138 PolarHBondContact O-N 3.4Å; M136-N138 VanDerWaalsContact C-N 3.31Å; M136-N138 PolarHBondContact O-N 2.93Å; N138-L140 PolarHBondContact O-N 3Å; N138-T141 PolarHBondContact O-N 3.42Å; N138-R142 WeakPolarHBondContact O-CG 3.43Å; N138-R142 PolarHBondContact O-N 3.41Å
139	T	97.5	Very high	95.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57.5	-48.1	-178.3	-61.3	0	0	0	0	112	L86 L87 V90 F135 M136 T141 R142 F143	L86-T139 HydrophobicContact CB-CG2 4.33Å; L86-T139 HydrophobicContact CD2-CG2 3.87Å; L86-T139 HydrophobicContact CG-CG2 3.74Å; L87-T139 HydrophobicContact CB-CG2 4.1Å; L87-T139 HydrophobicContact CD1-CG2 4.41Å; V90-T139 HydrophobicContact CG2-CG2 4.31Å; F135-T139 WeakPolarHBondContact O-CB 3.42Å; F135-T139 PolarHBondContact O-N 3.24Å; F135-T139 PolarHBondContact O-OG1 3.31Å; M136-T139 PolarHBondContact O-N 3.49Å; T139-T141 PolarHBondContact O-N 3.18Å; T139-R142 PolarHBondContact O-N 3.06Å; T139-F143 WeakPolarHBondContact O-CB 3.33Å; T139-F143 PolarHBondContact O-N 2.65Å
140	L	98.3	Very high	95.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-73.9	-25.8	-179	-67.3	-171.1	0	0	0	113.6	L86 M136 N138 F143 M144 F165 A168 W193	L86-L140 HydrophobicContact CD2-CD2 3.94Å; M136-L140 HydrophobicContact CE-CG 4.38Å; M136-L140 WeakPolarHBondContact O-CB 3.47Å; M136-L140 WeakPolarHBondContact O-CG 3.1Å; M136-L140 PolarHBondContact O-N 3Å; N138-L140 PolarHBondContact O-N 3Å; L140-F143 WeakPolarHBondContact O-CB 3.01Å; L140-M144 WeakPolarHBondContact O-CB 3.43Å; L140-M144 PolarHBondContact O-N 2.6Å; L140-F165 HydrophobicContact CD1-CB 4.4Å; L140-F165 HydrophobicContact CD2-CB 4.5Å; L140-F165 HydrophobicContact CD2-CD1 4.46Å; L140-F165 HydrophobicContact CD2-CD2 3.43Å; L140-F165 VanDerWaalsContact CD2-CD2 3.43Å; L140-F165 HydrophobicContact CD2-CE2 3.7Å; L140-F165 HydrophobicContact CD2-CG 3.9Å; L140-F165 HydrophobicContact CD2-CZ 4.3Å; L140-A168 HydrophobicContact CB-CB 3.96Å; L140-A168 HydrophobicContact CD1-CB 4.46Å; L140-A168 HydrophobicContact CD2-CB 4.35Å; L140-W193 HydrophobicContact CD1-CB 3.86Å; L140-W193 HydrophobicContact CD1-CE3 4.19Å
141	T	96.1	Very high	96.1	Very high	15 Å²	15	13 Å²	13	9%	0.092	7%	0.067	C	C	.	.	H	α-helix	trans	-73.9	-39.8	172.9	-58.1	0	0	0	0	111.1	L31 Q137 N138 T139 F143 M144 R145 R198	L31-T141 HydrophobicContact CD1-CG2 3.82Å; L31-T141 WeakPolarHBondContact CD1-OG1 3.49Å; L31-T141 HydrophobicContact CD2-CG2 4.08Å; L31-T141 HydrophobicContact CG-CG2 4.23Å; Q137-T141 WeakPolarHBondContact O-CB 3.2Å; Q137-T141 PolarHBondContact O-N 2.99Å; Q137-T141 PolarHBondContact O-OG1 3.21Å; N138-T141 PolarHBondContact O-N 3.42Å; T139-T141 PolarHBondContact O-N 3.18Å; T141-F143 VanDerWaalsContact C-N 3.32Å; T141-M144 HydrophobicContact CG2-CE 4.28Å; T141-M144 PolarHBondContact O-N 3.27Å; T141-R145 WeakPolarHBondContact O-CB 3.45Å; T141-R145 WeakPolarHBondContact O-CG 3.49Å; T141-R145 PolarHBondContact O-N 2.9Å; T141-R198 PolarHBondContact OG1-NH2 3.26Å
142	R	96.4	Very high	96.5	Very high	21 Å²	21	12 Å²	12	8%	0.079	6%	0.059	C	C	.	.	H	α-helix	trans	-61.9	-41.7	170.5	-71.4	177.8	62.6	179.2	2.2	111.5	V90 E94 N138 T139 M144 R145 L146	V90-R142 HydrophobicContact CG1-CB 3.64Å; E94-R142 VanDerWaalsContact CD-NH2 3.29Å; E94-R142 IonicContact OE1-CZ 2.63Å; E94-R142 IonicContact OE1-NE 2.7Å; E94-R142 PolarHBondContact OE1-NE 2.79Å; E94-R142 IonicContact OE1-NH2 3.27Å; E94-R142 PolarHBondContact OE1-NH2 3.08Å; E94-R142 VanDerWaalsContact OE1-NH2 3.17Å; E94-R142 IonicContact OE2-CZ 3.44Å; E94-R142 IonicContact OE2-NE 3.61Å; E94-R142 IonicContact OE2-NH2 3.17Å; E94-R142 PolarHBondContact OE2-NH2 3.38Å; N138-R142 WeakPolarHBondContact O-CG 3.43Å; N138-R142 PolarHBondContact O-N 3.41Å; T139-R142 PolarHBondContact O-N 3.06Å; R142-M144 PolarHBondContact O-N 3.14Å; R142-R145 CarbonylContact O-C 3.57Å; R142-R145 PolarHBondContact O-N 3.34Å; R142-R145 VanDerWaalsContact O-N 3.17Å; R142-L146 PolarHBondContact O-N 3.3Å; R142-L146 VanDerWaalsContact O-N 3.12Å
143	F	98	Very high	96.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-55.4	-51.6	172.1	-174	-79.6	0	0	0	111.7	L67 V90 L102 V104 T139 L140 T141 R145 L146 F165 A168	L67-F143 HydrophobicContact CD2-CE2 3.9Å; V90-F143 HydrophobicContact CG2-CB 3.9Å; V90-F143 HydrophobicContact CG2-CD2 3.8Å; V90-F143 HydrophobicContact CG2-CG 4.36Å; L102-F143 HydrophobicContact CD2-CE1 4.5Å; L102-F143 HydrophobicContact CD2-CE2 3.56Å; L102-F143 HydrophobicContact CD2-CZ 3.45Å; L102-F143 VanDerWaalsContact CD2-CZ 3.45Å; L102-F143 HydrophobicContact CG-CZ 4.48Å; V104-F143 HydrophobicContact CG2-CE1 4.26Å; V104-F143 HydrophobicContact CG2-CE2 3.99Å; V104-F143 HydrophobicContact CG2-CZ 3.35Å; T139-F143 WeakPolarHBondContact O-CB 3.33Å; T139-F143 PolarHBondContact O-N 2.65Å; L140-F143 WeakPolarHBondContact O-CB 3.01Å; T141-F143 VanDerWaalsContact C-N 3.32Å; F143-R145 PolarHBondContact O-N 3.18Å; F143-L146 HydrophobicContact CD2-CD1 3.88Å; F143-L146 HydrophobicContact CE2-CD1 4.05Å; F143-L146 HydrophobicContact CG-CD1 4.14Å; F143-L146 HydrophobicContact CZ-CD1 4.47Å; F143-L146 VanDerWaalsContact O-CB 3.22Å; F143-L146 WeakPolarHBondContact O-CB 3.15Å; F143-L146 WeakPolarHBondContact O-CD1 3.28Å; F143-L146 WeakPolarHBondContact O-CG 3.35Å; F143-L146 PolarHBondContact O-N 2.87Å; F143-F165 AromaticContact CD1-CE2 3.95Å; F143-F165 HydrophobicContact CD1-CE2 3.95Å; F143-F165 AromaticContact CD2-CE2 3.94Å; F143-F165 HydrophobicContact CD2-CE2 3.94Å; F143-F165 HydrophobicContact CD2-CZ 4.1Å; F143-F165 AromaticContact CE1-CE2 3.93Å; F143-F165 HydrophobicContact CE1-CE2 3.93Å; F143-F165 AromaticContact CE2-CE2 3.9Å; F143-F165 HydrophobicContact CE2-CE2 3.9Å; F143-F165 AromaticContact CE2-CZ 3.92Å; F143-F165 HydrophobicContact CE2-CZ 3.92Å; F143-F165 AromaticContact CG-CE2 3.99Å; F143-F165 HydrophobicContact CG-CE2 3.99Å; F143-F165 AromaticContact CZ-CE2 3.92Å; F143-F165 HydrophobicContact CZ-CE2 3.92Å; F143-F165 HydrophobicContact CZ-CZ 4.26Å; F143-A168 HydrophobicContact CD1-CB 4.4Å
144	M	96.3	Very high	97.1	Very high	12 Å²	12	9.6 Å²	9.6	6%	0.059	4%	0.044	C	C	.	.	H	α-helix	trans	-60.7	-28.2	179.4	-173.9	-172.1	69.2	0	0	113.1	L140 T141 R142 A168 R198 K264 R271	L140-M144 WeakPolarHBondContact O-CB 3.43Å; L140-M144 PolarHBondContact O-N 2.6Å; T141-M144 HydrophobicContact CG2-CE 4.28Å; T141-M144 PolarHBondContact O-N 3.27Å; R142-M144 PolarHBondContact O-N 3.14Å; M144-A168 VanDerWaalsContact CA-O 3.3Å; M144-A168 WeakPolarHBondContact CA-O 3.31Å; M144-A168 WeakPolarHBondContact CB-O 3.4Å; M144-R198 HydrophobicContact SD-CG 4.36Å; M144-K264 PolarHBondContact O-NZ 3.46Å; M144-R271 VanDerWaalsContact CE-NH2 3.25Å; M144-R271 VanDerWaalsContact CG-NH2 3.31Å; M144-R271 PolarHBondContact SD-NH2 3.05Å
145	R	95.2	Very high	97.2	Very high	51 Å²	51	8.3 Å²	8.3	19%	0.192	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	1	177.4	-70.2	177.3	-179.6	163.1	5.1	114	T141 R142 F143 E272	T141-R145 WeakPolarHBondContact O-CB 3.45Å; T141-R145 WeakPolarHBondContact O-CG 3.49Å; T141-R145 PolarHBondContact O-N 2.9Å; R142-R145 CarbonylContact O-C 3.57Å; R142-R145 PolarHBondContact O-N 3.34Å; R142-R145 VanDerWaalsContact O-N 3.17Å; F143-R145 PolarHBondContact O-N 3.18Å; R145-E272 IonicContact CZ-OE1 3.89Å; R145-E272 VanDerWaalsContact CZ-OE1 3.26Å; R145-E272 IonicContact CZ-OE2 3.26Å; R145-E272 VanDerWaalsContact NE-CD 3.28Å; R145-E272 IonicContact NE-OE1 3.69Å; R145-E272 PolarHBondContact NE-OE1 3.13Å; R145-E272 IonicContact NE-OE2 2.69Å; R145-E272 PolarHBondContact NE-OE2 2.61Å; R145-E272 IonicContact NH2-OE1 2.86Å; R145-E272 PolarHBondContact NH2-OE1 3.48Å; R145-E272 IonicContact NH2-OE2 3.37Å; R145-E272 PolarHBondContact NH2-OE2 3.06Å
146	L	96.5	Very high	97.3	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.047	C	C	.	.	S	Bend	trans	-51.4	143.3	176	-76.5	170.6	0	0	0	110.1	V90 L93 E94 L102 R142 F143 L148 K264	V90-L146 HydrophobicContact CG1-CD2 4.45Å; L93-L146 HydrophobicContact CB-CD1 4.15Å; L93-L146 HydrophobicContact CB-CD2 3.67Å; L93-L146 HydrophobicContact CD1-CD1 4.09Å; E94-L146 HydrophobicContact CB-CD2 4.39Å; E94-L146 HydrophobicContact CG-CD2 3.68Å; L102-L146 HydrophobicContact CD2-CD1 3.92Å; R142-L146 PolarHBondContact O-N 3.3Å; R142-L146 VanDerWaalsContact O-N 3.12Å; F143-L146 HydrophobicContact CD2-CD1 3.88Å; F143-L146 HydrophobicContact CE2-CD1 4.05Å; F143-L146 HydrophobicContact CG-CD1 4.14Å; F143-L146 HydrophobicContact CZ-CD1 4.47Å; F143-L146 VanDerWaalsContact O-CB 3.22Å; F143-L146 WeakPolarHBondContact O-CB 3.15Å; F143-L146 WeakPolarHBondContact O-CD1 3.28Å; F143-L146 WeakPolarHBondContact O-CG 3.35Å; F143-L146 PolarHBondContact O-N 2.87Å; L146-L148 HydrophobicContact CB-CB 4.39Å; L146-L148 HydrophobicContact CB-CG 4.45Å; L146-L148 PolarHBondContact O-N 3.06Å; L146-K264 WeakPolarHBondContact O-CE 3.47Å; L146-K264 WeakPolarHBondContact O-CG 3.27Å
147	P	94.1	Very high	97.3	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.013	6%	0.062	C	C	.	.	S	Bend	trans	-75.4	34.9	174.8	35.1	-37	0	0	0	111.3	R261	P147-R261 HydrophobicContact CB-CB 4.24Å; P147-R261 HydrophobicContact CB-CG 4.22Å; P147-R261 VanDerWaalsContact O-CG 3.25Å; P147-R261 WeakPolarHBondContact O-CG 3.45Å
148	L	97.6	Very high	97.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-129.7	141.6	-176.1	-54.8	174.1	0	0	0	107.8	L93 W96 G99 L102 L146 S150 K264	L93-L148 HydrophobicContact CB-CD1 4.05Å; L93-L148 HydrophobicContact CD2-CD1 3.74Å; L93-L148 HydrophobicContact CG-CD1 4.38Å; W96-L148 HydrophobicContact CE3-CD1 4.1Å; W96-L148 HydrophobicContact CE3-CD2 4.28Å; W96-L148 HydrophobicContact CZ3-CD1 4.42Å; G99-L148 VanDerWaalsContact O-CD2 3.29Å; G99-L148 WeakPolarHBondContact O-CD2 3.24Å; L102-L148 HydrophobicContact CB-CB 4.31Å; L102-L148 HydrophobicContact CB-CD1 4.27Å; L146-L148 HydrophobicContact CB-CB 4.39Å; L146-L148 HydrophobicContact CB-CG 4.45Å; L146-L148 PolarHBondContact O-N 3.06Å; L148-S150 PolarHBondContact O-N 3.49Å; L148-K264 VanDerWaalsContact O-CE 3.31Å; L148-K264 WeakPolarHBondContact O-CE 3.42Å
149	I	98.4	Very high	97.5	Very high	26 Å²	26	12.7 Å²	12.7	13%	0.133	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	112.6	169.5	-60.2	-178.4	0	0	0	107.8	K100 G101 L102 F171 L249 F252 I253 I260	K100-I149 PolarHBondContact O-N 2.93Å; G101-I149 CarbonylContact C-O 3.59Å; G101-I149 VanDerWaalsContact CA-O 3.29Å; G101-I149 WeakPolarHBondContact CA-O 3.39Å; L102-I149 PolarHBondContact N-O 3.05Å; I149-F171 HydrophobicContact CG2-CD2 3.86Å; I149-F171 HydrophobicContact CG2-CE2 3.6Å; I149-L249 HydrophobicContact CB-CD1 4.13Å; I149-L249 HydrophobicContact CG2-CD1 3.73Å; I149-F252 HydrophobicContact CD1-CB 4.12Å; I149-I253 HydrophobicContact CB-CG2 4.3Å; I149-I253 HydrophobicContact CD1-CG2 4.1Å; I149-I253 HydrophobicContact CG1-CG2 4.49Å; I149-I260 HydrophobicContact CD1-CG2 3.93Å; I149-I260 HydrophobicContact CG1-CG2 4.17Å
150	S	98.8	Very high	97.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.4	-172	59.7	0	0	0	0	113	L102 L148 C169 D170 F171	L102-S150 CarbonylContact O-C 3.54Å; L102-S150 VanDerWaalsContact O-CA 3.3Å; L102-S150 WeakPolarHBondContact O-CA 3.47Å; L148-S150 PolarHBondContact O-N 3.49Å; S150-C169 WeakPolarHBondContact OG-CA 3.45Å; S150-D170 PolarHBondContact N-OD2 3.45Å; S150-D170 WeakPolarHBondContact O-CA 3.46Å; S150-D170 VanDerWaalsContact O-CB 3.3Å; S150-D170 WeakPolarHBondContact O-CB 3.31Å; S150-D170 PolarHBondContact O-N 3.3Å; S150-D170 PolarHBondContact OG-N 2.82Å; S150-D170 PolarHBondContact OG-OD2 3.31Å; S150-F171 PolarHBondContact O-N 2.82Å
151	V	98.9	Very high	97.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.7	-178.9	-173.2	0	0	0	0	109.9	L102 I103 V104 F171 L173 W248 L249	L102-V151 PolarHBondContact O-N 3.23Å; I103-V151 CarbonylContact C-O 3.58Å; I103-V151 WeakPolarHBondContact CA-O 3.39Å; V104-V151 PolarHBondContact N-O 3.08Å; V151-F171 CarbonylContact C-O 3.48Å; V151-F171 WeakPolarHBondContact CA-O 3.39Å; V151-F171 HydrophobicContact CG1-CB 4.4Å; V151-F171 HydrophobicContact CG2-CB 4.24Å; V151-F171 HydrophobicContact CG2-CD2 4.38Å; V151-L173 HydrophobicContact CG1-CB 4.47Å; V151-L173 HydrophobicContact CG1-CD1 3.66Å; V151-L173 HydrophobicContact CG1-CG 3.65Å; V151-W248 HydrophobicContact CG2-CE3 4.21Å; V151-W248 HydrophobicContact CG2-CZ3 3.86Å; V151-L249 HydrophobicContact CG2-CB 4.4Å; V151-L249 HydrophobicContact CG2-CD1 3.79Å; V151-L249 HydrophobicContact CG2-CD2 4.15Å; V151-L249 HydrophobicContact CG2-CG 4.33Å
152	A	98.9	Very high	97.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	111.6	167.7	0	0	0	0	0	109.7	F111 V154 T166 C169 F171 R172 L173	F111-A152 HydrophobicContact CE2-CB 4.17Å; F111-A152 HydrophobicContact CZ-CB 4.35Å; A152-V154 HydrophobicContact CB-CG2 4.24Å; A152-V154 PolarHBondContact O-N 2.84Å; A152-T166 HydrophobicContact CB-CG2 4.31Å; A152-C169 HydrophobicContact CB-CB 4Å; A152-F171 PolarHBondContact N-O 2.95Å; A152-R172 HydrophobicContact CB-CG 4Å; A152-R172 CarbonylContact O-C 3.57Å; A152-R172 WeakPolarHBondContact O-CA 3.21Å; A152-L173 PolarHBondContact O-N 3.14Å
153	L	98.9	Very high	97.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	95.3	168.8	173.2	56.6	0	0	0	109.1	I103 V104 R105 F111 Q155 L233 L242 A245	I103-L153 HydrophobicContact CG2-CB 3.89Å; I103-L153 HydrophobicContact CG2-CD2 4.47Å; V104-L153 PolarHBondContact O-N 3.14Å; R105-L153 HydrophobicContact CB-CB 4.2Å; R105-L153 HydrophobicContact CB-CD2 4.37Å; R105-L153 HydrophobicContact CB-CG 4.47Å; F111-L153 WeakPolarHBondContact CD2-O 2.98Å; L153-Q155 HydrophobicContact CD1-CG 4.2Å; L153-Q155 HydrophobicContact CD2-CG 4.44Å; L153-Q155 HydrophobicContact CG-CG 3.97Å; L153-Q155 PolarHBondContact O-N 2.68Å; L153-Q155 VanDerWaalsContact O-N 3.17Å; L153-L233 HydrophobicContact CD1-CD1 3.53Å; L153-L242 HydrophobicContact CD2-CB 4.16Å; L153-L242 HydrophobicContact CD2-CD1 4.18Å; L153-A245 HydrophobicContact CD1-CB 4.22Å; L153-A245 HydrophobicContact CD2-CB 4.04Å; L153-A245 HydrophobicContact CG-CB 4.49Å
154	V	98.8	Very high	97.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	90.1	-177.4	-175.7	0	0	0	0	109.9	F111 A152 A158 T166 L173 M174 T175 S178 I180	F111-V154 HydrophobicContact CB-CG1 4.29Å; F111-V154 HydrophobicContact CD2-CG2 4.36Å; A152-V154 HydrophobicContact CB-CG2 4.24Å; A152-V154 PolarHBondContact O-N 2.84Å; V154-A158 HydrophobicContact CG1-CB 4.02Å; V154-T166 HydrophobicContact CG2-CG2 3.69Å; V154-L173 PolarHBondContact N-O 2.92Å; V154-M174 HydrophobicContact CB-CG 3.91Å; V154-M174 HydrophobicContact CG1-CG 4.29Å; V154-T175 PolarHBondContact O-N 3.16Å; V154-S178 WeakPolarHBondContact O-CB 3.48Å; V154-S178 PolarHBondContact O-OG 3.16Å; V154-I180 HydrophobicContact CG1-CG1 4.04Å; V154-I180 HydrophobicContact CG2-CD1 4.29Å
155	Q	97.3	Very high	97.9	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.053	C	C	.	.			trans	-89	131.9	167.7	-62.4	161.7	-55.3	0	0	109.1	N109 T110 F111 L153 W157 T175 E238 S241	N109-Q155 CarbonylContact C-O 3.38Å; N109-Q155 HydrophobicContact CB-CB 4.39Å; N109-Q155 CarbonylContact O-C 3.47Å; N109-Q155 PolarHBondContact OD1-NE2 3.39Å; T110-Q155 CarbonylContact C-O 3.53Å; T110-Q155 VanDerWaalsContact C-O 3.29Å; T110-Q155 WeakPolarHBondContact CA-O 3.47Å; F111-Q155 PolarHBondContact N-O 3Å; L153-Q155 HydrophobicContact CD1-CG 4.2Å; L153-Q155 HydrophobicContact CD2-CG 4.44Å; L153-Q155 HydrophobicContact CG-CG 3.97Å; L153-Q155 PolarHBondContact O-N 2.68Å; L153-Q155 VanDerWaalsContact O-N 3.17Å; Q155-W157 PolarHBondContact O-N 2.98Å; Q155-T175 HydrophobicContact CB-CG2 4.44Å; Q155-T175 HydrophobicContact CG-CG2 3.8Å; Q155-E238 PolarHBondContact NE2-O 3.2Å; Q155-S241 PolarHBondContact NE2-OG 3.33Å
156	G	96.9	Very high	98	Very high	19 Å²	19	8.3 Å²	8.3	20%	0.196	4%	0.044	C	C	.	.	S	Bend	trans	61.8	-117.1	-180	0	0	0	0	0	113.6	N109 S178 K179	N109-G156 WeakPolarHBondContact O-CA 3.27Å; N109-G156 PolarHBondContact O-N 3.48Å; G156-S178 CarbonylContact O-C 3.5Å; G156-S178 WeakPolarHBondContact O-CA 3.37Å; G156-S178 WeakPolarHBondContact O-CB 3.2Å; G156-K179 PolarHBondContact O-N 3.05Å
157	W	98.3	Very high	98.1	Very high	86 Å²	86	8.5 Å²	8.5	33%	0.326	5%	0.045	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.8	-172.7	-70	94.6	0	0	0	114.1	T110 F111 S112 Q155 L159 K179 K217	T110-W157 HydrophobicContact CG2-CB 4.39Å; F111-W157 WeakPolarHBondContact CB-O 3.46Å; F111-W157 PolarHBondContact N-O 2.97Å; S112-W157 PolarHBondContact N-O 3.44Å; Q155-W157 PolarHBondContact O-N 2.98Å; W157-L159 HydrophobicContact CB-CD1 4.43Å; W157-L159 HydrophobicContact CB-CG 4.18Å; W157-L159 HydrophobicContact CD2-CD2 4.35Å; W157-L159 HydrophobicContact CE3-CD2 3.46Å; W157-L159 VanDerWaalsContact CE3-CD2 3.46Å; W157-L159 HydrophobicContact CE3-CG 4.2Å; W157-L159 HydrophobicContact CZ3-CD2 3.89Å; W157-K179 WeakPolarHBondContact CA-O 3.37Å; W157-K179 HydrophobicContact CD2-CB 4.05Å; W157-K179 HydrophobicContact CD2-CD 4.28Å; W157-K179 HydrophobicContact CE3-CB 3.44Å; W157-K179 VanDerWaalsContact CE3-CB 3.44Å; W157-K179 HydrophobicContact CE3-CD 4.23Å; W157-K179 HydrophobicContact CE3-CG 4.36Å; W157-K179 HydrophobicContact CH2-CB 4.17Å; W157-K179 HydrophobicContact CH2-CD 3.73Å; W157-K179 HydrophobicContact CH2-CG 4.27Å; W157-K179 HydrophobicContact CZ2-CD 3.69Å; W157-K179 HydrophobicContact CZ3-CB 3.51Å; W157-K179 HydrophobicContact CZ3-CD 3.97Å; W157-K179 HydrophobicContact CZ3-CG 4.08Å; W157-K217 HydrophobicContact CH2-CD 4.02Å; W157-K217 VanDerWaalsContact CH2-CE 3.45Å; W157-K217 HydrophobicContact CH2-CG 4.38Å; W157-K217 HydrophobicContact CZ3-CD 4.39Å; W157-K217 HydrophobicContact CZ3-CG 4.26Å
158	A	98.8	Very high	98.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	110.4	159.2	0	0	0	0	0	109.2	F111 S112 V154 T166 K179 I180 R181	F111-A158 HydrophobicContact CB-CB 4.06Å; F111-A158 HydrophobicContact CD1-CB 3.8Å; F111-A158 HydrophobicContact CG-CB 4.21Å; S112-A158 CarbonylContact O-C 3.5Å; S112-A158 WeakPolarHBondContact O-CA 3.3Å; V154-A158 HydrophobicContact CG1-CB 4.02Å; A158-T166 HydrophobicContact CB-CG2 3.86Å; A158-K179 PolarHBondContact N-O 2.93Å; A158-I180 HydrophobicContact CB-CG1 4.24Å; A158-I180 CarbonylContact O-C 3.55Å; A158-I180 WeakPolarHBondContact O-CA 3.38Å; A158-R181 PolarHBondContact O-N 3.4Å
159	L	98.2	Very high	98.4	Very high	33 Å²	33	8.6 Å²	8.6	17%	0.173	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145	-175.8	-55.3	172	0	0	0	111.4	S112 S113 G114 W157 G161 G162 A163 R181 V183	S112-L159 PolarHBondContact O-N 2.86Å; S113-L159 CarbonylContact C-O 3.49Å; G114-L159 PolarHBondContact N-O 2.65Å; W157-L159 HydrophobicContact CB-CD1 4.43Å; W157-L159 HydrophobicContact CB-CG 4.18Å; W157-L159 HydrophobicContact CD2-CD2 4.35Å; W157-L159 HydrophobicContact CE3-CD2 3.46Å; W157-L159 VanDerWaalsContact CE3-CD2 3.46Å; W157-L159 HydrophobicContact CE3-CG 4.2Å; W157-L159 HydrophobicContact CZ3-CD2 3.89Å; L159-G161 PolarHBondContact O-N 3.31Å; L159-G162 WeakPolarHBondContact O-CA 3.46Å; L159-G162 PolarHBondContact O-N 3.42Å; L159-A163 PolarHBondContact O-N 3.44Å; L159-R181 CarbonylContact C-O 3.58Å; L159-R181 WeakPolarHBondContact CA-O 3.36Å; L159-R181 HydrophobicContact CD2-CB 3.66Å; L159-V183 HydrophobicContact CD2-CG1 4.47Å
160	G	97.4	Very high	98.4	Very high	3 Å²	3	8.9 Å²	8.9	3%	0.031	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-125.4	171.5	0	0	0	0	0	111.4	G162 A163 E164 R181 H184	G160-G162 PolarHBondContact O-N 3.43Å; G160-A163 WeakPolarHBondContact O-CA 3.29Å; G160-A163 VanDerWaalsContact O-CB 3.31Å; G160-A163 WeakPolarHBondContact O-CB 3.48Å; G160-A163 PolarHBondContact O-N 3.47Å; G160-E164 PolarHBondContact O-N 3.22Å; G160-R181 PolarHBondContact N-O 3.33Å; G160-H184 VanDerWaalsContact C-CE1 3.42Å
161	G	97.6	Very high	98.4	Very high	4 Å²	4	11.8 Å²	11.8	4%	0.041	6%	0.06	C	C	.	.	H	α-helix	trans	-56.5	-29.1	173.9	0	0	0	0	0	114.3	L159 E164 F165 W193	L159-G161 PolarHBondContact O-N 3.31Å; G161-E164 WeakPolarHBondContact O-CB 3.25Å; G161-E164 PolarHBondContact O-N 3.1Å; G161-F165 PolarHBondContact O-N 2.87Å; G161-W193 VanDerWaalsContact C-CZ3 3.42Å; G161-W193 VanDerWaalsContact CA-CE3 3.41Å; G161-W193 VanDerWaalsContact O-CZ3 3.31Å; G161-W193 WeakPolarHBondContact O-CZ3 3.46Å
162	G	98.3	Very high	98.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.6	-40.6	172.9	0	0	0	0	0	111.8	F111 G114 L159 G160 E164 F165 T166	F111-G162 VanDerWaalsContact CE1-O 3.31Å; F111-G162 WeakPolarHBondContact CE1-O 3.38Å; G114-G162 VanDerWaalsContact CA-N 3.26Å; L159-G162 WeakPolarHBondContact O-CA 3.46Å; L159-G162 PolarHBondContact O-N 3.42Å; G160-G162 PolarHBondContact O-N 3.43Å; G162-E164 VanDerWaalsContact C-N 3.35Å; G162-F165 PolarHBondContact O-N 3.34Å; G162-T166 WeakPolarHBondContact O-CG2 3.49Å; G162-T166 PolarHBondContact O-N 2.89Å
163	A	98.7	Very high	98.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.3	-39.9	170.8	0	0	0	0	0	111.3	L159 G160 F165 T166 I180 F182	L159-A163 PolarHBondContact O-N 3.44Å; G160-A163 WeakPolarHBondContact O-CA 3.29Å; G160-A163 VanDerWaalsContact O-CB 3.31Å; G160-A163 WeakPolarHBondContact O-CB 3.48Å; G160-A163 PolarHBondContact O-N 3.47Å; A163-F165 VanDerWaalsContact C-N 3.33Å; A163-F165 PolarHBondContact O-N 2.94Å; A163-T166 PolarHBondContact O-N 3.29Å; A163-T166 PolarHBondContact O-OG1 3.06Å; A163-I180 HydrophobicContact CB-CG2 3.69Å; A163-F182 HydrophobicContact CB-CD1 3.96Å; A163-F182 HydrophobicContact CB-CD2 4.34Å; A163-F182 HydrophobicContact CB-CE1 3.84Å; A163-F182 HydrophobicContact CB-CE2 4.23Å; A163-F182 HydrophobicContact CB-CG 4.21Å; A163-F182 HydrophobicContact CB-CZ 3.97Å
164	E	98.8	Very high	98.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.5	-37.7	175.3	-58.1	-167.2	81.7	0	0	112.4	G160 G161 G162 T166 T167 F182 H184 P191 S192 W193 G194 G195	G160-E164 PolarHBondContact O-N 3.22Å; G161-E164 WeakPolarHBondContact O-CB 3.25Å; G161-E164 PolarHBondContact O-N 3.1Å; G162-E164 VanDerWaalsContact C-N 3.35Å; E164-T166 VanDerWaalsContact C-N 3.31Å; E164-T166 PolarHBondContact O-N 2.85Å; E164-T167 WeakPolarHBondContact O-CB 3.48Å; E164-T167 PolarHBondContact O-N 3.05Å; E164-T167 VanDerWaalsContact O-N 3.09Å; E164-T167 PolarHBondContact O-OG1 2.68Å; E164-F182 HydrophobicContact CG-CD1 4.22Å; E164-F182 HydrophobicContact CG-CE1 4.07Å; E164-H184 IonicContact OE2-CE1 3.9Å; E164-H184 PolarHBondContact OE2-CE1 3.14Å; E164-H184 IonicContact OE2-NE2 3.65Å; E164-H184 PolarHBondContact OE2-NE2 3.27Å; E164-P191 HydrophobicContact CG-CB 4.17Å; E164-P191 WeakPolarHBondContact OE1-CB 3.34Å; E164-S192 PolarHBondContact OE1-N 3.09Å; E164-S192 VanDerWaalsContact OE1-N 3.15Å; E164-S192 PolarHBondContact OE2-N 2.83Å; E164-S192 VanDerWaalsContact OE2-N 3.16Å; E164-W193 HydrophobicContact CB-CB 3.94Å; E164-W193 VanDerWaalsContact CD-N 3.27Å; E164-W193 HydrophobicContact CG-CB 4.42Å; E164-W193 WeakPolarHBondContact OE1-CA 3.43Å; E164-W193 PolarHBondContact OE1-N 2.59Å; E164-W193 PolarHBondContact OE2-N 3.12Å; E164-W193 VanDerWaalsContact OE2-N 3.11Å; E164-G194 PolarHBondContact OE1-N 2.92Å; E164-G195 WeakPolarHBondContact OE1-CA 3.42Å; E164-G195 PolarHBondContact OE1-N 2.97Å
165	F	98.8	Very high	98.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.9	-36.9	176.2	-167.4	179.4	0	0	0	111.6	L67 L69 F78 L86 V104 F111 L140 F143 G161 G162 A163 T167 A168	L67-F165 HydrophobicContact CD2-CZ 4.23Å; L69-F165 HydrophobicContact CD1-CD1 4.11Å; L69-F165 HydrophobicContact CD1-CE1 4.25Å; L69-F165 HydrophobicContact CD2-CD1 4.48Å; L69-F165 HydrophobicContact CD2-CE1 3.86Å; F78-F165 HydrophobicContact CE2-CD1 4.17Å; F78-F165 AromaticContact CZ-CD1 3.8Å; F78-F165 HydrophobicContact CZ-CD1 3.8Å; F78-F165 AromaticContact CZ-CE1 3.9Å; F78-F165 HydrophobicContact CZ-CE1 3.9Å; L86-F165 HydrophobicContact CD1-CE1 3.99Å; L86-F165 HydrophobicContact CD1-CZ 3.79Å; L86-F165 HydrophobicContact CD2-CE1 4.01Å; L86-F165 HydrophobicContact CD2-CZ 4.22Å; V104-F165 HydrophobicContact CG1-CE1 4.02Å; V104-F165 HydrophobicContact CG1-CZ 3.93Å; V104-F165 HydrophobicContact CG2-CZ 4.36Å; F111-F165 HydrophobicContact CE1-CB 4.26Å; L140-F165 HydrophobicContact CD1-CB 4.4Å; L140-F165 HydrophobicContact CD2-CB 4.5Å; L140-F165 HydrophobicContact CD2-CD1 4.46Å; L140-F165 HydrophobicContact CD2-CD2 3.43Å; L140-F165 VanDerWaalsContact CD2-CD2 3.43Å; L140-F165 HydrophobicContact CD2-CE2 3.7Å; L140-F165 HydrophobicContact CD2-CG 3.9Å; L140-F165 HydrophobicContact CD2-CZ 4.3Å; F143-F165 AromaticContact CD1-CE2 3.95Å; F143-F165 HydrophobicContact CD1-CE2 3.95Å; F143-F165 AromaticContact CD2-CE2 3.94Å; F143-F165 HydrophobicContact CD2-CE2 3.94Å; F143-F165 HydrophobicContact CD2-CZ 4.1Å; F143-F165 AromaticContact CE1-CE2 3.93Å; F143-F165 HydrophobicContact CE1-CE2 3.93Å; F143-F165 AromaticContact CE2-CE2 3.9Å; F143-F165 HydrophobicContact CE2-CE2 3.9Å; F143-F165 AromaticContact CE2-CZ 3.92Å; F143-F165 HydrophobicContact CE2-CZ 3.92Å; F143-F165 AromaticContact CG-CE2 3.99Å; F143-F165 HydrophobicContact CG-CE2 3.99Å; F143-F165 AromaticContact CZ-CE2 3.92Å; F143-F165 HydrophobicContact CZ-CE2 3.92Å; F143-F165 HydrophobicContact CZ-CZ 4.26Å; G161-F165 PolarHBondContact O-N 2.87Å; G162-F165 PolarHBondContact O-N 3.34Å; A163-F165 VanDerWaalsContact C-N 3.33Å; A163-F165 PolarHBondContact O-N 2.94Å; F165-T167 PolarHBondContact O-N 3.04Å; F165-T167 VanDerWaalsContact O-N 3.1Å; F165-A168 HydrophobicContact CD2-CB 4.29Å; F165-A168 PolarHBondContact O-N 3.19Å
166	T	98.8	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-57.6	-30.5	174.3	73.4	0	0	0	0	113.1	F111 A152 V154 A158 G162 A163 E164 A168 C169 R172 M228	F111-T166 HydrophobicContact CD1-CG2 3.97Å; F111-T166 HydrophobicContact CE1-CG2 3.67Å; F111-T166 HydrophobicContact CZ-CG2 4.02Å; A152-T166 HydrophobicContact CB-CG2 4.31Å; V154-T166 HydrophobicContact CG2-CG2 3.69Å; A158-T166 HydrophobicContact CB-CG2 3.86Å; G162-T166 WeakPolarHBondContact O-CG2 3.49Å; G162-T166 PolarHBondContact O-N 2.89Å; A163-T166 PolarHBondContact O-N 3.29Å; A163-T166 PolarHBondContact O-OG1 3.06Å; E164-T166 VanDerWaalsContact C-N 3.31Å; E164-T166 PolarHBondContact O-N 2.85Å; T166-A168 VanDerWaalsContact C-N 3.31Å; T166-A168 PolarHBondContact O-N 3.11Å; T166-C169 PolarHBondContact O-N 2.66Å; T166-R172 WeakPolarHBondContact O-CD 3.17Å; T166-R172 WeakPolarHBondContact O-CG 3.31Å; T166-R172 PolarHBondContact O-NH1 2.82Å; T166-M228 WeakPolarHBondContact OG1-CE 3.34Å
167	T	98.7	Very high	98.4	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.025	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.6	177.7	72.6	0	0	0	0	113.9	E164 F165 F182 R198 L199 I202 M228	E164-T167 WeakPolarHBondContact O-CB 3.48Å; E164-T167 PolarHBondContact O-N 3.05Å; E164-T167 VanDerWaalsContact O-N 3.09Å; E164-T167 PolarHBondContact O-OG1 2.68Å; F165-T167 PolarHBondContact O-N 3.04Å; F165-T167 VanDerWaalsContact O-N 3.1Å; T167-F182 HydrophobicContact CG2-CE1 4.28Å; T167-F182 HydrophobicContact CG2-CZ 3.81Å; T167-R198 VanDerWaalsContact O-CD 3.29Å; T167-R198 WeakPolarHBondContact O-CD 3.33Å; T167-L199 HydrophobicContact CG2-CD1 4.49Å; T167-I202 HydrophobicContact CG2-CD1 4.13Å; T167-M228 HydrophobicContact CG2-CE 4.17Å
168	A	98.4	Very high	98.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-12	175.6	0	0	0	0	0	112.9	L140 F143 M144 F165 T166	L140-A168 HydrophobicContact CB-CB 3.96Å; L140-A168 HydrophobicContact CD1-CB 4.46Å; L140-A168 HydrophobicContact CD2-CB 4.35Å; F143-A168 HydrophobicContact CD1-CB 4.4Å; M144-A168 VanDerWaalsContact CA-O 3.3Å; M144-A168 WeakPolarHBondContact CA-O 3.31Å; M144-A168 WeakPolarHBondContact CB-O 3.4Å; F165-A168 HydrophobicContact CD2-CB 4.29Å; F165-A168 PolarHBondContact O-N 3.19Å; T166-A168 VanDerWaalsContact C-N 3.31Å; T166-A168 PolarHBondContact O-N 3.11Å
169	C	98.8	Very high	98.4	Very high	5 Å²	5	17.4 Å²	17.4	3%	0.034	9%	0.088	C	C	.	.	S	Bend	trans	-79.8	157.4	170	-61.8	0	0	0	0	110.7	S150 A152 T166 F171 R172	S150-C169 WeakPolarHBondContact OG-CA 3.45Å; A152-C169 HydrophobicContact CB-CB 4Å; T166-C169 PolarHBondContact O-N 2.66Å; C169-F171 WeakPolarHBondContact CB-O 3.3Å; C169-R172 PolarHBondContact O-NH1 2.89Å
170	D	98.6	Very high	98.4	Very high	31 Å²	31	15.9 Å²	15.9	17%	0.166	8%	0.08	C	C	.	.	S	Bend	trans	-69.3	-44.7	176.2	-62.5	-55.2	0	0	0	111.3	S150 R172 K264	S150-D170 PolarHBondContact N-OD2 3.45Å; S150-D170 WeakPolarHBondContact O-CA 3.46Å; S150-D170 VanDerWaalsContact O-CB 3.3Å; S150-D170 WeakPolarHBondContact O-CB 3.31Å; S150-D170 PolarHBondContact O-N 3.3Å; S150-D170 PolarHBondContact OG-N 2.82Å; S150-D170 PolarHBondContact OG-OD2 3.31Å; D170-R172 PolarHBondContact O-NH1 3.44Å; D170-R172 PolarHBondContact O-NH2 3.46Å; D170-K264 IonicContact OD1-NZ 2.88Å; D170-K264 PolarHBondContact OD1-NZ 3.16Å; D170-K264 WeakPolarHBondContact OD2-CE 3.42Å; D170-K264 IonicContact OD2-NZ 2.8Å; D170-K264 PolarHBondContact OD2-NZ 3.39Å; D170-K264 VanDerWaalsContact OD2-NZ 3.12Å
171	F	98.8	Very high	98.5	Very high	62 Å²	62	18.5 Å²	18.5	27%	0.272	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	164.4	-179.8	-52.8	-64.2	0	0	0	111.1	I149 S150 V151 A152 C169 E230 W248	I149-F171 HydrophobicContact CG2-CD2 3.86Å; I149-F171 HydrophobicContact CG2-CE2 3.6Å; S150-F171 PolarHBondContact O-N 2.82Å; V151-F171 CarbonylContact C-O 3.48Å; V151-F171 WeakPolarHBondContact CA-O 3.39Å; V151-F171 HydrophobicContact CG1-CB 4.4Å; V151-F171 HydrophobicContact CG2-CB 4.24Å; V151-F171 HydrophobicContact CG2-CD2 4.38Å; A152-F171 PolarHBondContact N-O 2.95Å; C169-F171 WeakPolarHBondContact CB-O 3.3Å; F171-E230 WeakPolarHBondContact CA-OE2 3.45Å; F171-E230 HydrophobicContact CB-CG 4.34Å; F171-E230 HydrophobicContact CD1-CG 3.72Å; F171-E230 HydrophobicContact CG-CG 4.43Å; F171-W248 HydrophobicContact CB-CH2 3.81Å; F171-W248 HydrophobicContact CB-CZ3 4.04Å; F171-W248 HydrophobicContact CD1-CH2 4.14Å; F171-W248 AromaticContact CD2-CH2 3.69Å; F171-W248 HydrophobicContact CD2-CH2 3.69Å; F171-W248 AromaticContact CD2-CZ3 3.79Å; F171-W248 HydrophobicContact CD2-CZ3 3.79Å; F171-W248 HydrophobicContact CE2-CH2 4.26Å; F171-W248 HydrophobicContact CE2-CZ3 4.5Å; F171-W248 AromaticContact CG-CH2 3.61Å; F171-W248 HydrophobicContact CG-CH2 3.61Å; F171-W248 HydrophobicContact CG-CZ3 4.03Å
172	R	98.8	Very high	98.5	Very high	9 Å²	9	18.4 Å²	18.4	3%	0.034	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	126.6	-178.8	-68	139.1	-66.1	-77.8	-7.9	108.6	A152 T166 C169 D170 M228 V229 E230	A152-R172 HydrophobicContact CB-CG 4Å; A152-R172 CarbonylContact O-C 3.57Å; A152-R172 WeakPolarHBondContact O-CA 3.21Å; T166-R172 WeakPolarHBondContact O-CD 3.17Å; T166-R172 WeakPolarHBondContact O-CG 3.31Å; T166-R172 PolarHBondContact O-NH1 2.82Å; C169-R172 PolarHBondContact O-NH1 2.89Å; D170-R172 PolarHBondContact O-NH1 3.44Å; D170-R172 PolarHBondContact O-NH2 3.46Å; R172-M228 WeakPolarHBondContact CD-O 3.38Å; R172-M228 PolarHBondContact NE-O 3.3Å; R172-V229 HydrophobicContact CB-CB 4.15Å; R172-V229 HydrophobicContact CB-CG1 3.71Å; R172-V229 WeakPolarHBondContact O-CB 3.44Å; R172-E230 IonicContact CZ-OE1 2.79Å; R172-E230 PolarHBondContact N-OE2 2.69Å; R172-E230 IonicContact NE-OE2 3.78Å; R172-E230 IonicContact NH2-OE1 3.6Å; R172-E230 PolarHBondContact NH2-OE1 3Å; R172-E230 IonicContact NH2-OE2 2.6Å; R172-E230 PolarHBondContact O-N 2.71Å
173	L	98.9	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.9	172.1	-56.8	174.6	0	0	0	108	V151 A152 V154 E231 L233 A245 W248	V151-L173 HydrophobicContact CG1-CB 4.47Å; V151-L173 HydrophobicContact CG1-CD1 3.66Å; V151-L173 HydrophobicContact CG1-CG 3.65Å; A152-L173 PolarHBondContact O-N 3.14Å; V154-L173 PolarHBondContact N-O 2.92Å; L173-E231 WeakPolarHBondContact CA-O 2.97Å; L173-E231 HydrophobicContact CD2-CB 3.73Å; L173-L233 HydrophobicContact CB-CD1 4.25Å; L173-L233 HydrophobicContact CB-CD2 4.41Å; L173-L233 HydrophobicContact CB-CG 4.2Å; L173-L233 HydrophobicContact CD1-CD2 4.29Å; L173-A245 HydrophobicContact CD1-CB 3.81Å; L173-W248 HydrophobicContact CD1-CB 4.04Å; L173-W248 HydrophobicContact CD1-CD2 4.01Å; L173-W248 HydrophobicContact CD1-CE3 4.12Å; L173-W248 HydrophobicContact CD1-CG 3.96Å; L173-W248 HydrophobicContact CD2-CD2 3.92Å; L173-W248 HydrophobicContact CD2-CE3 4.43Å; L173-W248 HydrophobicContact CD2-CG 4.14Å; L173-W248 HydrophobicContact CD2-CZ2 4.33Å; L173-W248 HydrophobicContact CG-CD2 4.5Å
174	M	98.8	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.9	178.5	-83.7	178.7	80.1	0	0	110.8	V154 S178 I180 A223 V229 E231 V232 L233	V154-M174 HydrophobicContact CB-CG 3.91Å; V154-M174 HydrophobicContact CG1-CG 4.29Å; M174-S178 VanDerWaalsContact CB-OG 3.27Å; M174-S178 WeakPolarHBondContact CB-OG 3.47Å; M174-S178 WeakPolarHBondContact CE-O 3.33Å; M174-S178 WeakPolarHBondContact CE-OG 3.35Å; M174-S178 VanDerWaalsContact CG-OG 3.31Å; M174-S178 WeakPolarHBondContact CG-OG 3.34Å; M174-I180 HydrophobicContact CE-CG1 4.24Å; M174-I180 HydrophobicContact SD-CD1 3.94Å; M174-I180 HydrophobicContact SD-CG1 4.1Å; M174-A223 HydrophobicContact CE-CB 4.43Å; M174-A223 HydrophobicContact SD-CB 3.59Å; M174-A223 VanDerWaalsContact SD-CB 3.59Å; M174-V229 HydrophobicContact CG-CB 4.47Å; M174-V229 HydrophobicContact CG-CG1 3.81Å; M174-V229 HydrophobicContact CG-CG2 4.45Å; M174-V229 HydrophobicContact SD-CB 4.36Å; M174-V229 HydrophobicContact SD-CG1 3.5Å; M174-V229 WeakPolarHBondContact SD-CG1 3.33Å; M174-V229 HydrophobicContact SD-CG2 4.07Å; M174-E231 PolarHBondContact N-O 2.64Å; M174-E231 VanDerWaalsContact N-O 3.07Å; M174-V232 CarbonylContact O-C 3.59Å; M174-V232 VanDerWaalsContact O-CA 3.26Å; M174-V232 WeakPolarHBondContact O-CA 3.24Å; M174-L233 PolarHBondContact O-N 3.49Å
175	T	98.6	Very high	98.2	Very high	4 Å²	4	26.2 Å²	26.2	3%	0.025	12%	0.123	C	C	.	.			trans	-78.3	160.1	162.7	73.8	0	0	0	0	110.6	V154 Q155 E177 S178 S235 S236	V154-T175 PolarHBondContact O-N 3.16Å; Q155-T175 HydrophobicContact CB-CG2 4.44Å; Q155-T175 HydrophobicContact CG-CG2 3.8Å; T175-E177 VanDerWaalsContact C-N 3.33Å; T175-E177 PolarHBondContact O-N 2.79Å; T175-S178 PolarHBondContact N-OG 2.97Å; T175-S178 WeakPolarHBondContact O-CB 3.46Å; T175-S178 PolarHBondContact O-N 2.77Å; T175-S178 VanDerWaalsContact O-N 3.08Å; T175-S178 PolarHBondContact O-OG 2.93Å; T175-S235 WeakPolarHBondContact CG2-O 3.4Å; T175-S236 VanDerWaalsContact CB-OG 3.29Å; T175-S236 WeakPolarHBondContact CB-OG 3.38Å; T175-S236 PolarHBondContact OG1-OG 3.27Å
176	P	98.1	Very high	98	Very high	44 Å²	44	32 Å²	32	29%	0.286	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-40.5	-172.1	-31.3	37.3	0	0	0	115.3	S220 V232 L233 S236	P176-S220 PolarHBondContact O-OG 3.16Å; P176-V232 HydrophobicContact CG-CG1 4.37Å; P176-L233 VanDerWaalsContact CD-O 3.28Å; P176-L233 WeakPolarHBondContact CD-O 3.35Å; P176-L233 VanDerWaalsContact CG-O 3.31Å; P176-L233 WeakPolarHBondContact CG-O 3.42Å; P176-S236 WeakPolarHBondContact CD-OG 3.29Å
177	E	96.2	Very high	97.6	Very high	120 Å²	120	36.4 Å²	36.4	56%	0.561	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.3	-177.5	-64.8	71	-146.2	0	0	114.5	T175 K179 S236	T175-E177 VanDerWaalsContact C-N 3.33Å; T175-E177 PolarHBondContact O-N 2.79Å; E177-K179 WeakPolarHBondContact O-CE 3.45Å; E177-K179 PolarHBondContact O-NZ 3.12Å; E177-S236 VanDerWaalsContact OE2-CB 3.27Å; E177-S236 WeakPolarHBondContact OE2-CB 3.25Å; E177-S236 PolarHBondContact OE2-OG 2.95Å
178	S	98.3	Very high	97.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.			trans	-72.4	157.4	-172.8	82.4	0	0	0	0	112.3	V154 G156 M174 T175 S220	V154-S178 WeakPolarHBondContact O-CB 3.48Å; V154-S178 PolarHBondContact O-OG 3.16Å; G156-S178 CarbonylContact O-C 3.5Å; G156-S178 WeakPolarHBondContact O-CA 3.37Å; G156-S178 WeakPolarHBondContact O-CB 3.2Å; M174-S178 VanDerWaalsContact CB-OG 3.27Å; M174-S178 WeakPolarHBondContact CB-OG 3.47Å; M174-S178 WeakPolarHBondContact CE-O 3.33Å; M174-S178 WeakPolarHBondContact CE-OG 3.35Å; M174-S178 VanDerWaalsContact CG-OG 3.31Å; M174-S178 WeakPolarHBondContact CG-OG 3.34Å; T175-S178 PolarHBondContact N-OG 2.97Å; T175-S178 WeakPolarHBondContact O-CB 3.46Å; T175-S178 PolarHBondContact O-N 2.77Å; T175-S178 VanDerWaalsContact O-N 3.08Å; T175-S178 PolarHBondContact O-OG 2.93Å; S178-S220 PolarHBondContact O-N 2.98Å
179	K	98.6	Very high	97.1	Very high	47 Å²	47	43.9 Å²	43.9	20%	0.204	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.2	-179.5	-73.4	119.3	-172.8	165.8	0	112.1	G156 W157 A158 E177 K217 L218 D219	G156-K179 PolarHBondContact O-N 3.05Å; W157-K179 WeakPolarHBondContact CA-O 3.37Å; W157-K179 HydrophobicContact CD2-CB 4.05Å; W157-K179 HydrophobicContact CD2-CD 4.28Å; W157-K179 HydrophobicContact CE3-CB 3.44Å; W157-K179 VanDerWaalsContact CE3-CB 3.44Å; W157-K179 HydrophobicContact CE3-CD 4.23Å; W157-K179 HydrophobicContact CE3-CG 4.36Å; W157-K179 HydrophobicContact CH2-CB 4.17Å; W157-K179 HydrophobicContact CH2-CD 3.73Å; W157-K179 HydrophobicContact CH2-CG 4.27Å; W157-K179 HydrophobicContact CZ2-CD 3.69Å; W157-K179 HydrophobicContact CZ3-CB 3.51Å; W157-K179 HydrophobicContact CZ3-CD 3.97Å; W157-K179 HydrophobicContact CZ3-CG 4.08Å; A158-K179 PolarHBondContact N-O 2.93Å; E177-K179 WeakPolarHBondContact O-CE 3.45Å; E177-K179 PolarHBondContact O-NZ 3.12Å; K179-K217 HydrophobicContact CB-CG 4.31Å; K179-K217 HydrophobicContact CG-CD 4.29Å; K179-K217 HydrophobicContact CG-CG 3.91Å; K179-L218 CarbonylContact C-O 3.51Å; K179-L218 VanDerWaalsContact CA-O 3.22Å; K179-L218 WeakPolarHBondContact CA-O 3.49Å; K179-D219 HydrophobicContact CG-CB 4.39Å
180	I	98.9	Very high	97	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.4	167.9	-56.2	178.6	0	0	0	108.8	V154 A158 A163 M174 F182 L218 M228 V229	V154-I180 HydrophobicContact CG1-CG1 4.04Å; V154-I180 HydrophobicContact CG2-CD1 4.29Å; A158-I180 HydrophobicContact CB-CG1 4.24Å; A158-I180 CarbonylContact O-C 3.55Å; A158-I180 WeakPolarHBondContact O-CA 3.38Å; A163-I180 HydrophobicContact CB-CG2 3.69Å; M174-I180 HydrophobicContact CE-CG1 4.24Å; M174-I180 HydrophobicContact SD-CD1 3.94Å; M174-I180 HydrophobicContact SD-CG1 4.1Å; I180-F182 HydrophobicContact CG2-CE2 4.16Å; I180-L218 HydrophobicContact CB-CB 4.36Å; I180-L218 PolarHBondContact N-O 2.88Å; I180-L218 WeakPolarHBondContact O-CB 3.44Å; I180-L218 PolarHBondContact O-N 2.92Å; I180-M228 HydrophobicContact CD1-CE 3.8Å; I180-M228 HydrophobicContact CD1-CG 4.2Å; I180-M228 HydrophobicContact CG2-CE 4.21Å; I180-V229 HydrophobicContact CD1-CG1 4.08Å
181	R	98.6	Very high	96.9	Very high	59 Å²	59	49 Å²	49	22%	0.223	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	125.6	177.8	-168.9	-178.9	-171.9	-132.7	-2.8	112.9	A158 L159 G160 V183 E186 A215	A158-R181 PolarHBondContact O-N 3.4Å; L159-R181 CarbonylContact C-O 3.58Å; L159-R181 WeakPolarHBondContact CA-O 3.36Å; L159-R181 HydrophobicContact CD2-CB 3.66Å; G160-R181 PolarHBondContact N-O 3.33Å; R181-V183 HydrophobicContact CB-CG1 4.38Å; R181-V183 HydrophobicContact CG-CG1 3.8Å; R181-V183 PolarHBondContact O-N 3.36Å; R181-E186 IonicContact CZ-OE1 2.86Å; R181-E186 IonicContact CZ-OE2 3.12Å; R181-E186 VanDerWaalsContact CZ-OE2 3.22Å; R181-E186 IonicContact NH1-OE1 2.77Å; R181-E186 IonicContact NH1-OE2 3.27Å; R181-E186 PolarHBondContact NH1-OE2 2.86Å; R181-E186 IonicContact NH2-OE1 3.26Å; R181-E186 PolarHBondContact NH2-OE1 3.34Å; R181-E186 IonicContact NH2-OE2 3.4Å; R181-E186 PolarHBondContact NH2-OE2 3.39Å; R181-A215 PolarHBondContact NE-O 3.15Å; R181-A215 PolarHBondContact NH2-O 3.31Å
182	F	98.5	Very high	96.7	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.009	25%	0.253	C	S	.	.			trans	-88.9	102.1	171.9	-61	-94	0	0	0	109.5	A163 E164 T167 I180 L199 V211 L212	A163-F182 HydrophobicContact CB-CD1 3.96Å; A163-F182 HydrophobicContact CB-CD2 4.34Å; A163-F182 HydrophobicContact CB-CE1 3.84Å; A163-F182 HydrophobicContact CB-CE2 4.23Å; A163-F182 HydrophobicContact CB-CG 4.21Å; A163-F182 HydrophobicContact CB-CZ 3.97Å; E164-F182 HydrophobicContact CG-CD1 4.22Å; E164-F182 HydrophobicContact CG-CE1 4.07Å; T167-F182 HydrophobicContact CG2-CE1 4.28Å; T167-F182 HydrophobicContact CG2-CZ 3.81Å; I180-F182 HydrophobicContact CG2-CE2 4.16Å; F182-L199 HydrophobicContact CD2-CD2 4.3Å; F182-L199 HydrophobicContact CE2-CD1 4.13Å; F182-L199 HydrophobicContact CE2-CD2 3.89Å; F182-L199 HydrophobicContact CZ-CD1 4.16Å; F182-L199 HydrophobicContact CZ-CD2 4.11Å; F182-V211 HydrophobicContact CD2-CG1 3.77Å; F182-V211 HydrophobicContact CE2-CG1 4.26Å; F182-L212 HydrophobicContact CB-CD2 3.58Å; F182-L212 HydrophobicContact CD1-CD2 3.89Å; F182-L212 HydrophobicContact CD2-CD2 4.1Å; F182-L212 HydrophobicContact CG-CD2 3.59Å
183	V	96.9	Very high	96.6	Very high	21 Å²	21	47.4 Å²	47.4	13%	0.127	25%	0.252	C	S	.	.			trans	-92.8	-0.3	-172.3	-62.3	0	0	0	0	114.5	L159 R181 K185 E186 M187	L159-V183 HydrophobicContact CD2-CG1 4.47Å; R181-V183 HydrophobicContact CB-CG1 4.38Å; R181-V183 HydrophobicContact CG-CG1 3.8Å; R181-V183 PolarHBondContact O-N 3.36Å; V183-K185 VanDerWaalsContact C-N 3.29Å; V183-K185 PolarHBondContact O-N 2.86Å; V183-K185 VanDerWaalsContact O-N 3.15Å; V183-E186 WeakPolarHBondContact O-CB 3.27Å; V183-E186 PolarHBondContact O-N 3.14Å; V183-M187 HydrophobicContact CG2-SD 3.9Å; V183-M187 PolarHBondContact O-N 3.42Å
184	H	96.4	Very high	96.5	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.046	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-51.6	-42.1	-172.2	-59.8	97.7	0	0	0	114.1	G160 E164 E186 M187 G188 I189 P191	G160-H184 VanDerWaalsContact C-CE1 3.42Å; E164-H184 IonicContact OE2-CE1 3.9Å; E164-H184 PolarHBondContact OE2-CE1 3.14Å; E164-H184 IonicContact OE2-NE2 3.65Å; E164-H184 PolarHBondContact OE2-NE2 3.27Å; H184-E186 VanDerWaalsContact C-N 3.28Å; H184-E186 PolarHBondContact O-N 2.68Å; H184-M187 CarbonylContact O-C 3.31Å; H184-M187 WeakPolarHBondContact O-CA 3.48Å; H184-M187 WeakPolarHBondContact O-CB 3.28Å; H184-M187 PolarHBondContact O-N 3.1Å; H184-G188 PolarHBondContact O-N 3.27Å; H184-G188 VanDerWaalsContact O-N 3.14Å; H184-I189 CarbonylContact C-O 3.57Å; H184-I189 HydrophobicContact CB-CG1 4.1Å; H184-I189 WeakPolarHBondContact CB-O 3.49Å; H184-I189 CarbonylContact O-C 3.43Å; H184-I189 PolarHBondContact O-N 3.25Å; H184-P191 HydrophobicContact CB-CG 4.37Å
185	K	96.1	Very high	96.4	Very high	133 Å²	133	47.9 Å²	47.9	58%	0.578	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-56.5	-42.4	177.2	179.5	-171.5	173.4	-164.5	0	112.1	V183 M187 G188 I189 S213	V183-K185 VanDerWaalsContact C-N 3.29Å; V183-K185 PolarHBondContact O-N 2.86Å; V183-K185 VanDerWaalsContact O-N 3.15Å; K185-M187 PolarHBondContact O-N 2.88Å; K185-G188 PolarHBondContact O-N 3.17Å; K185-G188 VanDerWaalsContact O-N 3.12Å; K185-I189 PolarHBondContact N-O 2.77Å; K185-S213 WeakPolarHBondContact CD-O 3.16Å; K185-S213 WeakPolarHBondContact CE-O 3.22Å; K185-S213 PolarHBondContact NZ-O 3.36Å
186	E	94.1	Very high	96.3	Very high	121 Å²	121	50.1 Å²	50.1	57%	0.565	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-69.7	-24.7	179.3	-57.4	-176.4	146.7	0	0	111.7	R181 V183 H184 G188 A215	R181-E186 IonicContact CZ-OE1 2.86Å; R181-E186 IonicContact CZ-OE2 3.12Å; R181-E186 VanDerWaalsContact CZ-OE2 3.22Å; R181-E186 IonicContact NH1-OE1 2.77Å; R181-E186 IonicContact NH1-OE2 3.27Å; R181-E186 PolarHBondContact NH1-OE2 2.86Å; R181-E186 IonicContact NH2-OE1 3.26Å; R181-E186 PolarHBondContact NH2-OE1 3.34Å; R181-E186 IonicContact NH2-OE2 3.4Å; R181-E186 PolarHBondContact NH2-OE2 3.39Å; V183-E186 WeakPolarHBondContact O-CB 3.27Å; V183-E186 PolarHBondContact O-N 3.14Å; H184-E186 VanDerWaalsContact C-N 3.28Å; H184-E186 PolarHBondContact O-N 2.68Å; E186-G188 VanDerWaalsContact C-N 3.3Å; E186-A215 HydrophobicContact CG-CB 4.06Å
187	M	91.2	Very high	96.2	Very high	92 Å²	92	52.8 Å²	52.8	45%	0.453	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-86.5	2.3	174	-60	177.8	65.2	0	0	113.1	L117 V183 H184 K185 I189	L117-M187 HydrophobicContact CD2-CE 3.94Å; V183-M187 HydrophobicContact CG2-SD 3.9Å; V183-M187 PolarHBondContact O-N 3.42Å; H184-M187 CarbonylContact O-C 3.31Å; H184-M187 WeakPolarHBondContact O-CA 3.48Å; H184-M187 WeakPolarHBondContact O-CB 3.28Å; H184-M187 PolarHBondContact O-N 3.1Å; K185-M187 PolarHBondContact O-N 2.88Å; M187-I189 VanDerWaalsContact C-N 3.32Å; M187-I189 HydrophobicContact CB-CG1 4.03Å; M187-I189 PolarHBondContact O-N 3.43Å
188	G	92.7	Very high	96.3	Very high	71 Å²	71	47.9 Å²	47.9	73%	0.732	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	19.4	-179.1	0	0	0	0	0	114.7	H184 K185 E186	H184-G188 PolarHBondContact O-N 3.27Å; H184-G188 VanDerWaalsContact O-N 3.14Å; K185-G188 PolarHBondContact O-N 3.17Å; K185-G188 VanDerWaalsContact O-N 3.12Å; E186-G188 VanDerWaalsContact C-N 3.3Å
189	I	93.1	Very high	96.3	Very high	90 Å²	90	47.9 Å²	47.9	46%	0.462	26%	0.262	S	S	.	.	S	Bend	trans	-132	177	-179.8	58.9	170.2	0	0	0	111.3	H184 K185 M187	H184-I189 CarbonylContact C-O 3.57Å; H184-I189 HydrophobicContact CB-CG1 4.1Å; H184-I189 WeakPolarHBondContact CB-O 3.49Å; H184-I189 CarbonylContact O-C 3.43Å; H184-I189 PolarHBondContact O-N 3.25Å; K185-I189 PolarHBondContact N-O 2.77Å; M187-I189 VanDerWaalsContact C-N 3.32Å; M187-I189 HydrophobicContact CB-CG1 4.03Å; M187-I189 PolarHBondContact O-N 3.43Å
190	I	96	Very high	96.3	Very high	129 Å²	129	48.2 Å²	48.2	66%	0.662	27%	0.268	S	S	*	.			trans	-104	162.2	170.2	64.4	168.4	0	0	0	110.2	S192	I190-S192 PolarHBondContact O-N 3.15Å
191	P	97.2	Very high	96.2	Very high	15 Å²	15	53.2 Å²	53.2	10%	0.097	30%	0.295	C	S	.	.			trans	-54.2	129.8	167.6	-19.4	29.8	0	0	0	110.4	E164 H184 T196 L212	E164-P191 HydrophobicContact CG-CB 4.17Å; E164-P191 WeakPolarHBondContact OE1-CB 3.34Å; H184-P191 HydrophobicContact CB-CG 4.37Å; P191-T196 WeakPolarHBondContact CD-OG1 3.24Å; P191-T196 WeakPolarHBondContact CG-OG1 3.32Å; P191-L212 HydrophobicContact CG-CD1 4.45Å; P191-L212 HydrophobicContact CG-CD2 3.7Å
192	S	94.7	Very high	96.2	Very high	35 Å²	35	52.6 Å²	52.6	25%	0.245	30%	0.295	C	S	.	.			trans	-121.7	-7.6	-169.9	65.9	0	0	0	0	113.7	C133 Q137 E164 I190 G194	C133-S192 PolarHBondContact SG-O 3.02Å; Q137-S192 WeakPolarHBondContact CG-O 2.99Å; Q137-S192 PolarHBondContact NE2-O 3.33Å; E164-S192 PolarHBondContact OE1-N 3.09Å; E164-S192 VanDerWaalsContact OE1-N 3.15Å; E164-S192 PolarHBondContact OE2-N 2.83Å; E164-S192 VanDerWaalsContact OE2-N 3.16Å; I190-S192 PolarHBondContact O-N 3.15Å; S192-G194 VanDerWaalsContact C-N 3.3Å
193	W	97.1	Very high	96.2	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.011	30%	0.3	C	S	.	.	S	Bend	trans	-92.9	10.3	175.1	-60.6	-0.3	0	0	0	113.1	F78 M83 S115 M136 L140 G161 E164 R198	F78-W193 HydrophobicContact CB-CH2 3.99Å; F78-W193 AromaticContact CD2-CH2 3.96Å; F78-W193 HydrophobicContact CD2-CH2 3.96Å; F78-W193 HydrophobicContact CD2-CZ3 4.16Å; F78-W193 HydrophobicContact CE2-CZ3 4.44Å; F78-W193 AromaticContact CG-CH2 3.97Å; F78-W193 HydrophobicContact CG-CH2 3.97Å; F78-W193 HydrophobicContact CG-CZ3 4.48Å; M83-W193 HydrophobicContact CE-CH2 4.22Å; M83-W193 HydrophobicContact CE-CZ2 3.63Å; S115-W193 WeakPolarHBondContact OG-CZ2 3.38Å; M136-W193 HydrophobicContact CB-CB 4.19Å; M136-W193 VanDerWaalsContact CB-CD1 3.47Å; M136-W193 HydrophobicContact CB-CD2 3.99Å; M136-W193 HydrophobicContact CB-CG 3.64Å; M136-W193 HydrophobicContact CE-CD2 3.86Å; M136-W193 HydrophobicContact CE-CE3 3.69Å; M136-W193 HydrophobicContact CE-CH2 3.91Å; M136-W193 HydrophobicContact CE-CZ2 4.06Å; M136-W193 HydrophobicContact CE-CZ3 3.71Å; M136-W193 HydrophobicContact CG-CD2 4.13Å; M136-W193 HydrophobicContact CG-CG 4.26Å; M136-W193 HydrophobicContact CG-CZ2 4.18Å; L140-W193 HydrophobicContact CD1-CB 3.86Å; L140-W193 HydrophobicContact CD1-CE3 4.19Å; G161-W193 VanDerWaalsContact C-CZ3 3.42Å; G161-W193 VanDerWaalsContact CA-CE3 3.41Å; G161-W193 VanDerWaalsContact O-CZ3 3.31Å; G161-W193 WeakPolarHBondContact O-CZ3 3.46Å; E164-W193 HydrophobicContact CB-CB 3.94Å; E164-W193 VanDerWaalsContact CD-N 3.27Å; E164-W193 HydrophobicContact CG-CB 4.42Å; E164-W193 WeakPolarHBondContact OE1-CA 3.43Å; E164-W193 PolarHBondContact OE1-N 2.59Å; E164-W193 PolarHBondContact OE2-N 3.12Å; E164-W193 VanDerWaalsContact OE2-N 3.11Å; W193-R198 PolarHBondContact O-NH1 3.44Å
194	G	96.6	Very high	96.2	Very high	10 Å²	10	54 Å²	54	10%	0.103	31%	0.31	C	S	.	.	S	Bend	trans	97.9	7.6	178.6	0	0	0	0	0	114.1	E164 S192 T196 T197 R198	E164-G194 PolarHBondContact OE1-N 2.92Å; S192-G194 VanDerWaalsContact C-N 3.3Å; G194-T196 VanDerWaalsContact C-N 3.31Å; G194-T196 PolarHBondContact O-N 3.31Å; G194-T197 PolarHBondContact O-N 3.31Å; G194-R198 PolarHBondContact O-N 2.94Å; G194-R198 VanDerWaalsContact O-N 3.14Å
195	G	96.1	Very high	96.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-32.9	-177.1	0	0	0	0	0	113.6	E164 L199	E164-G195 WeakPolarHBondContact OE1-CA 3.42Å; E164-G195 PolarHBondContact OE1-N 2.97Å; G195-L199 WeakPolarHBondContact O-CB 3.43Å; G195-L199 PolarHBondContact O-N 3.37Å
196	T	97.6	Very high	96.4	Very high	50 Å²	50	60.5 Å²	60.5	31%	0.307	34%	0.344	S	S	.	.	H	α-helix	trans	-59.6	-52.9	174.9	-57.6	0	0	0	0	111.2	P191 G194 L199 V200 L212	P191-T196 WeakPolarHBondContact CD-OG1 3.24Å; P191-T196 WeakPolarHBondContact CG-OG1 3.32Å; G194-T196 VanDerWaalsContact C-N 3.31Å; G194-T196 PolarHBondContact O-N 3.31Å; T196-L199 PolarHBondContact O-N 3.16Å; T196-V200 WeakPolarHBondContact O-CG2 3.35Å; T196-V200 PolarHBondContact O-N 3.2Å; T196-L212 HydrophobicContact CG2-CD1 3.88Å
197	T	96.1	Very high	96.6	Very high	101 Å²	101	56.5 Å²	56.5	62%	0.62	33%	0.325	S	S	*	.	H	α-helix	trans	-63.4	-51.1	-176.6	-51.5	0	0	0	0	111.1	G194 L199 V200	G194-T197 PolarHBondContact O-N 3.31Å; T197-L199 VanDerWaalsContact C-N 3.33Å; T197-L199 PolarHBondContact O-N 3.11Å; T197-V200 WeakPolarHBondContact O-CB 3.17Å; T197-V200 PolarHBondContact O-N 2.84Å
198	R	97.8	Very high	97	Very high	17 Å²	17	52.1 Å²	52.1	6%	0.064	30%	0.303	C	S	.	.	H	α-helix	trans	-66.8	-34.3	-177.9	-61.6	-176.9	-165.8	109	4.2	112.3	T141 M144 T167 W193 G194 V200 D201 I202	T141-R198 PolarHBondContact OG1-NH2 3.26Å; M144-R198 HydrophobicContact SD-CG 4.36Å; T167-R198 VanDerWaalsContact O-CD 3.29Å; T167-R198 WeakPolarHBondContact O-CD 3.33Å; W193-R198 PolarHBondContact O-NH1 3.44Å; G194-R198 PolarHBondContact O-N 2.94Å; G194-R198 VanDerWaalsContact O-N 3.14Å; R198-V200 VanDerWaalsContact C-N 3.31Å; R198-V200 PolarHBondContact O-N 3.15Å; R198-D201 PolarHBondContact O-N 2.92Å; R198-I202 WeakPolarHBondContact O-CD1 3.45Å; R198-I202 VanDerWaalsContact O-CG1 3.27Å; R198-I202 WeakPolarHBondContact O-CG1 3.42Å; R198-I202 PolarHBondContact O-N 2.81Å
199	L	98.2	Very high	97.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-34.7	177.4	-171.7	66.9	0	0	0	112.2	T167 F182 G195 T196 T197 D201 I202 I203 A208 V211 L212 M228	T167-L199 HydrophobicContact CG2-CD1 4.49Å; F182-L199 HydrophobicContact CD2-CD2 4.3Å; F182-L199 HydrophobicContact CE2-CD1 4.13Å; F182-L199 HydrophobicContact CE2-CD2 3.89Å; F182-L199 HydrophobicContact CZ-CD1 4.16Å; F182-L199 HydrophobicContact CZ-CD2 4.11Å; G195-L199 WeakPolarHBondContact O-CB 3.43Å; G195-L199 PolarHBondContact O-N 3.37Å; T196-L199 PolarHBondContact O-N 3.16Å; T197-L199 VanDerWaalsContact C-N 3.33Å; T197-L199 PolarHBondContact O-N 3.11Å; L199-D201 VanDerWaalsContact C-N 3.28Å; L199-D201 PolarHBondContact O-N 2.76Å; L199-I202 PolarHBondContact O-N 3.43Å; L199-I203 HydrophobicContact CD1-CD1 3.53Å; L199-I203 HydrophobicContact CD1-CG1 3.87Å; L199-I203 HydrophobicContact CD2-CD1 4.16Å; L199-I203 HydrophobicContact CG-CD1 3.72Å; L199-I203 HydrophobicContact CG-CG1 3.9Å; L199-I203 WeakPolarHBondContact O-CG1 3.46Å; L199-I203 PolarHBondContact O-N 3.23Å; L199-A208 HydrophobicContact CB-CB 4.42Å; L199-A208 HydrophobicContact CD2-CB 4.06Å; L199-A208 HydrophobicContact CG-CB 3.94Å; L199-V211 HydrophobicContact CD2-CB 4.37Å; L199-V211 HydrophobicContact CD2-CG1 4.15Å; L199-L212 HydrophobicContact CD2-CD1 4.25Å; L199-L212 HydrophobicContact CD2-CD2 3.89Å; L199-L212 HydrophobicContact CD2-CG 3.89Å; L199-M228 HydrophobicContact CD1-CE 4.42Å; L199-M228 HydrophobicContact CD1-SD 3.59Å; L199-M228 VanDerWaalsContact CD1-SD 3.59Å
200	V	98.3	Very high	97.5	Very high	53 Å²	53	55 Å²	55	32%	0.321	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-40.2	174.7	171	0	0	0	0	110.9	T196 T197 R198 I202 G204 A208	T196-V200 WeakPolarHBondContact O-CG2 3.35Å; T196-V200 PolarHBondContact O-N 3.2Å; T197-V200 WeakPolarHBondContact O-CB 3.17Å; T197-V200 PolarHBondContact O-N 2.84Å; R198-V200 VanDerWaalsContact C-N 3.31Å; R198-V200 PolarHBondContact O-N 3.15Å; V200-I202 VanDerWaalsContact C-N 3.33Å; V200-G204 CarbonylContact O-C 3.46Å; V200-G204 WeakPolarHBondContact O-CA 3.48Å; V200-G204 PolarHBondContact O-N 3.12Å; V200-A208 HydrophobicContact CG2-CB 3.87Å
201	D	96.4	Very high	97.6	Very high	105 Å²	105	48.9 Å²	48.9	56%	0.561	27%	0.266	S	S	*	.	H	α-helix	trans	-69.1	-32.3	178	-63.8	-21.2	0	0	0	112.4	R198 L199	R198-D201 PolarHBondContact O-N 2.92Å; L199-D201 VanDerWaalsContact C-N 3.28Å; L199-D201 PolarHBondContact O-N 2.76Å
202	I	98.3	Very high	97.7	Very high	46 Å²	46	49.5 Å²	49.5	24%	0.236	27%	0.268	C	S	.	.	H	α-helix	trans	-79.1	-51.1	-176.8	-63	163.4	0	0	0	111.6	T167 R198 L199 V200 G227 M228	T167-I202 HydrophobicContact CG2-CD1 4.13Å; R198-I202 WeakPolarHBondContact O-CD1 3.45Å; R198-I202 VanDerWaalsContact O-CG1 3.27Å; R198-I202 WeakPolarHBondContact O-CG1 3.42Å; R198-I202 PolarHBondContact O-N 2.81Å; L199-I202 PolarHBondContact O-N 3.43Å; V200-I202 VanDerWaalsContact C-N 3.33Å; I202-G227 WeakPolarHBondContact CG2-O 3.28Å; I202-M228 HydrophobicContact CG2-SD 4.32Å
203	I	98.5	Very high	97.9	Very high	21 Å²	21	50.6 Å²	50.6	11%	0.108	28%	0.276	C	S	.	.	H	α-helix	trans	-117.6	4.1	-171.2	64.9	178.6	0	0	0	113.9	L199 Q207 A208 V211 I226 M228	L199-I203 HydrophobicContact CD1-CD1 3.53Å; L199-I203 HydrophobicContact CD1-CG1 3.87Å; L199-I203 HydrophobicContact CD2-CD1 4.16Å; L199-I203 HydrophobicContact CG-CD1 3.72Å; L199-I203 HydrophobicContact CG-CG1 3.9Å; L199-I203 WeakPolarHBondContact O-CG1 3.46Å; L199-I203 PolarHBondContact O-N 3.23Å; I203-Q207 HydrophobicContact CB-CB 4.28Å; I203-Q207 HydrophobicContact CB-CG 4.24Å; I203-Q207 HydrophobicContact CD1-CB 4.23Å; I203-Q207 HydrophobicContact CD1-CG 3.86Å; I203-Q207 HydrophobicContact CG1-CB 4.12Å; I203-Q207 HydrophobicContact CG1-CG 4.19Å; I203-Q207 VanDerWaalsContact O-CB 3.25Å; I203-Q207 WeakPolarHBondContact O-CB 3.36Å; I203-A208 HydrophobicContact CG1-CB 4.24Å; I203-V211 HydrophobicContact CD1-CG2 3.92Å; I203-I226 HydrophobicContact CD1-CD1 4.12Å; I203-I226 HydrophobicContact CG2-CG1 4.34Å; I203-I226 VanDerWaalsContact CG2-O 3.27Å; I203-I226 WeakPolarHBondContact CG2-O 3.41Å; I203-M228 HydrophobicContact CG2-CB 4.01Å; I203-M228 HydrophobicContact CG2-SD 4.49Å
204	G	98.5	Very high	97.9	Very high	33 Å²	33	52.2 Å²	52.2	34%	0.34	29%	0.293	S	S	.	.			trans	79.7	153.5	-177.2	0	0	0	0	0	113.7	V200 R206 Q207 A208	V200-G204 CarbonylContact O-C 3.46Å; V200-G204 WeakPolarHBondContact O-CA 3.48Å; V200-G204 PolarHBondContact O-N 3.12Å; G204-R206 PolarHBondContact O-N 3.14Å; G204-Q207 PolarHBondContact O-N 3.2Å; G204-A208 WeakPolarHBondContact O-CB 3.35Å; G204-A208 PolarHBondContact O-N 3.03Å
205	S	98.2	Very high	97.9	Very high	85 Å²	85	51.9 Å²	51.9	59%	0.594	29%	0.29	S	S	*	.	H	α-helix	trans	-59	-41.5	-171.7	61.7	0	0	0	0	114.3	L209	S205-L209 WeakPolarHBondContact O-CB 3.31Å; S205-L209 PolarHBondContact O-N 3.21Å
206	R	98.4	Very high	98	Very high	194 Å²	194	54.6 Å²	54.6	73%	0.732	30%	0.304	S	S	*	.	H	α-helix	trans	-65.7	-42.8	-179.5	-174.6	176.7	-175.4	169.1	0.4	112	G204 K210	G204-R206 PolarHBondContact O-N 3.14Å; R206-K210 PolarHBondContact O-N 3.3Å
207	Q	98.5	Very high	98.1	Very high	36 Å²	36	57.3 Å²	57.3	17%	0.168	31%	0.312	C	S	.	.	H	α-helix	trans	-74.4	-41.8	-179.6	-168.8	62.2	24.2	0	0	110.5	I203 G204 L209 K210 V211 Y222 I226	I203-Q207 HydrophobicContact CB-CB 4.28Å; I203-Q207 HydrophobicContact CB-CG 4.24Å; I203-Q207 HydrophobicContact CD1-CB 4.23Å; I203-Q207 HydrophobicContact CD1-CG 3.86Å; I203-Q207 HydrophobicContact CG1-CB 4.12Å; I203-Q207 HydrophobicContact CG1-CG 4.19Å; I203-Q207 VanDerWaalsContact O-CB 3.25Å; I203-Q207 WeakPolarHBondContact O-CB 3.36Å; G204-Q207 PolarHBondContact O-N 3.2Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 2.82Å; Q207-K210 WeakPolarHBondContact O-CB 3.4Å; Q207-K210 PolarHBondContact O-N 2.95Å; Q207-K210 VanDerWaalsContact O-N 3.12Å; Q207-V211 WeakPolarHBondContact O-CG2 3.34Å; Q207-V211 PolarHBondContact O-N 3.23Å; Q207-Y222 PolarHBondContact NE2-OH 2.9Å; Q207-I226 HydrophobicContact CG-CB 4.16Å; Q207-I226 HydrophobicContact CG-CD1 4.18Å; Q207-I226 HydrophobicContact CG-CG2 4.42Å
208	A	98.6	Very high	98.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-54.8	-46.4	172.5	0	0	0	0	0	111.4	L199 V200 I203 G204 K210 V211 L212	L199-A208 HydrophobicContact CB-CB 4.42Å; L199-A208 HydrophobicContact CD2-CB 4.06Å; L199-A208 HydrophobicContact CG-CB 3.94Å; V200-A208 HydrophobicContact CG2-CB 3.87Å; I203-A208 HydrophobicContact CG1-CB 4.24Å; G204-A208 WeakPolarHBondContact O-CB 3.35Å; G204-A208 PolarHBondContact O-N 3.03Å; A208-K210 PolarHBondContact O-N 3.49Å; A208-V211 PolarHBondContact O-N 3.24Å; A208-L212 WeakPolarHBondContact O-CB 3.49Å; A208-L212 VanDerWaalsContact O-CG 3.28Å; A208-L212 WeakPolarHBondContact O-CG 3.37Å; A208-L212 PolarHBondContact O-N 2.89Å
209	L	98.6	Very high	98.2	Very high	120 Å²	120	55 Å²	55	63%	0.628	30%	0.297	S	S	*	.	H	α-helix	trans	-59.7	-43.7	176.6	-178.3	60.3	0	0	0	112	S205 Q207 S213	S205-L209 WeakPolarHBondContact O-CB 3.31Å; S205-L209 PolarHBondContact O-N 3.21Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 2.82Å; L209-S213 WeakPolarHBondContact O-CB 3.42Å; L209-S213 PolarHBondContact O-N 3.19Å; L209-S213 PolarHBondContact O-OG 2.88Å
210	K	98.4	Very high	98.2	Very high	102 Å²	102	55.3 Å²	55.3	44%	0.443	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-47.1	175.1	-74.9	176.3	174.6	-178.7	0	111.9	R206 Q207 A208 G214	R206-K210 PolarHBondContact O-N 3.3Å; Q207-K210 WeakPolarHBondContact O-CB 3.4Å; Q207-K210 PolarHBondContact O-N 2.95Å; Q207-K210 VanDerWaalsContact O-N 3.12Å; A208-K210 PolarHBondContact O-N 3.49Å; K210-G214 WeakPolarHBondContact O-CA 3.34Å; K210-G214 PolarHBondContact O-N 3.01Å
211	V	98.6	Very high	98.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-50.3	-179.1	171.2	0	0	0	0	110.9	F182 L199 I203 Q207 A208 A215 L216 L218 I226	F182-V211 HydrophobicContact CD2-CG1 3.77Å; F182-V211 HydrophobicContact CE2-CG1 4.26Å; L199-V211 HydrophobicContact CD2-CB 4.37Å; L199-V211 HydrophobicContact CD2-CG1 4.15Å; I203-V211 HydrophobicContact CD1-CG2 3.92Å; Q207-V211 WeakPolarHBondContact O-CG2 3.34Å; Q207-V211 PolarHBondContact O-N 3.23Å; A208-V211 PolarHBondContact O-N 3.24Å; V211-A215 WeakPolarHBondContact O-CA 3.49Å; V211-A215 PolarHBondContact O-N 3.12Å; V211-L216 HydrophobicContact CG2-CD1 4.44Å; V211-L216 PolarHBondContact O-N 3.33Å; V211-L218 HydrophobicContact CG1-CD1 4.12Å; V211-L218 HydrophobicContact CG1-CD2 4.36Å; V211-L218 HydrophobicContact CG2-CD1 4.44Å; V211-L218 HydrophobicContact CG2-CD2 4Å; V211-I226 HydrophobicContact CG2-CD1 4.19Å
212	L	98.6	Very high	98.4	Very high	27 Å²	27	59.4 Å²	59.4	14%	0.141	31%	0.306	C	S	.	.	H	α-helix	trans	-72.6	-46.8	-175.6	-63.1	176.6	0	0	0	112.2	F182 P191 T196 L199 A208 G214 A215	F182-L212 HydrophobicContact CB-CD2 3.58Å; F182-L212 HydrophobicContact CD1-CD2 3.89Å; F182-L212 HydrophobicContact CD2-CD2 4.1Å; F182-L212 HydrophobicContact CG-CD2 3.59Å; P191-L212 HydrophobicContact CG-CD1 4.45Å; P191-L212 HydrophobicContact CG-CD2 3.7Å; T196-L212 HydrophobicContact CG2-CD1 3.88Å; L199-L212 HydrophobicContact CD2-CD1 4.25Å; L199-L212 HydrophobicContact CD2-CD2 3.89Å; L199-L212 HydrophobicContact CD2-CG 3.89Å; A208-L212 WeakPolarHBondContact O-CB 3.49Å; A208-L212 VanDerWaalsContact O-CG 3.28Å; A208-L212 WeakPolarHBondContact O-CG 3.37Å; A208-L212 PolarHBondContact O-N 2.89Å; L212-G214 VanDerWaalsContact C-N 3.3Å; L212-G214 PolarHBondContact O-N 3.05Å; L212-A215 PolarHBondContact O-N 3.17Å
213	S	98	Very high	98.4	Very high	58 Å²	58	57.2 Å²	57.2	41%	0.406	30%	0.295	S	S	.	.	H	α-helix	trans	-71.3	-25.7	179.7	68.4	0	0	0	0	112.9	K185 L209	K185-S213 WeakPolarHBondContact CD-O 3.16Å; K185-S213 WeakPolarHBondContact CE-O 3.22Å; K185-S213 PolarHBondContact NZ-O 3.36Å; L209-S213 WeakPolarHBondContact O-CB 3.42Å; L209-S213 PolarHBondContact O-N 3.19Å; L209-S213 PolarHBondContact O-OG 2.88Å
214	G	97.6	Very high	98.4	Very high	37 Å²	37	60 Å²	60	38%	0.381	31%	0.31	S	S	.	.	H	α-helix	trans	-90.2	-9.7	175.3	0	0	0	0	0	114.4	K210 L212 L216	K210-G214 WeakPolarHBondContact O-CA 3.34Å; K210-G214 PolarHBondContact O-N 3.01Å; L212-G214 VanDerWaalsContact C-N 3.3Å; L212-G214 PolarHBondContact O-N 3.05Å; G214-L216 PolarHBondContact O-N 3.12Å
215	A	97.6	Very high	98.4	Very high	4 Å²	4	65.8 Å²	65.8	3%	0.033	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	45	43.5	-165.9	0	0	0	0	0	111.6	R181 E186 V211 L212	R181-A215 PolarHBondContact NE-O 3.15Å; R181-A215 PolarHBondContact NH2-O 3.31Å; E186-A215 HydrophobicContact CG-CB 4.06Å; V211-A215 WeakPolarHBondContact O-CA 3.49Å; V211-A215 PolarHBondContact O-N 3.12Å; L212-A215 PolarHBondContact O-N 3.17Å
216	L	98.1	Very high	98.4	Very high	57 Å²	57	63 Å²	63	30%	0.298	31%	0.306	S	S	.	.			trans	-64.4	137.9	-170	-59.1	-175.5	0	0	0	110.5	V211 G214 L218 Y222	V211-L216 HydrophobicContact CG2-CD1 4.44Å; V211-L216 PolarHBondContact O-N 3.33Å; G214-L216 PolarHBondContact O-N 3.12Å; L216-L218 HydrophobicContact CB-CD2 4.09Å; L216-L218 PolarHBondContact O-N 2.72Å; L216-Y222 HydrophobicContact CD1-CE1 4.37Å
217	K	98.3	Very high	98.4	Very high	106 Å²	106	55.5 Å²	55.5	46%	0.461	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.1	169.9	-179.6	-177.5	176.4	-177.2	0	108.3	W157 K179	W157-K217 HydrophobicContact CH2-CD 4.02Å; W157-K217 VanDerWaalsContact CH2-CE 3.45Å; W157-K217 HydrophobicContact CH2-CG 4.38Å; W157-K217 HydrophobicContact CZ3-CD 4.39Å; W157-K217 HydrophobicContact CZ3-CG 4.26Å; K179-K217 HydrophobicContact CB-CG 4.31Å; K179-K217 HydrophobicContact CG-CD 4.29Å; K179-K217 HydrophobicContact CG-CG 3.91Å
218	L	98.7	Very high	98.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	99.8	177.1	-45	-177.7	0	0	0	107.7	K179 I180 V211 L216 Y222 A223 I226 M228	K179-L218 CarbonylContact C-O 3.51Å; K179-L218 VanDerWaalsContact CA-O 3.22Å; K179-L218 WeakPolarHBondContact CA-O 3.49Å; I180-L218 HydrophobicContact CB-CB 4.36Å; I180-L218 PolarHBondContact N-O 2.88Å; I180-L218 WeakPolarHBondContact O-CB 3.44Å; I180-L218 PolarHBondContact O-N 2.92Å; V211-L218 HydrophobicContact CG1-CD1 4.12Å; V211-L218 HydrophobicContact CG1-CD2 4.36Å; V211-L218 HydrophobicContact CG2-CD1 4.44Å; V211-L218 HydrophobicContact CG2-CD2 4Å; L216-L218 HydrophobicContact CB-CD2 4.09Å; L216-L218 PolarHBondContact O-N 2.72Å; L218-Y222 HydrophobicContact CD2-CD1 3.53Å; L218-Y222 HydrophobicContact CD2-CE1 3.47Å; L218-Y222 VanDerWaalsContact CD2-CE1 3.47Å; L218-A223 HydrophobicContact CB-CB 4.12Å; L218-I226 HydrophobicContact CD1-CD1 4.17Å; L218-I226 HydrophobicContact CD2-CD1 4.13Å; L218-M228 HydrophobicContact CD1-CB 4.49Å; L218-M228 HydrophobicContact CD1-CG 4.05Å
219	D	98.7	Very high	98.4	Very high	69 Å²	69	53.9 Å²	53.9	37%	0.369	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	167	165	64.2	32.5	0	0	0	110.6	K179 K221 Y222 A223	K179-D219 HydrophobicContact CG-CB 4.39Å; D219-K221 VanDerWaalsContact C-N 3.26Å; D219-K221 PolarHBondContact O-N 3.27Å; D219-K221 PolarHBondContact OD1-N 3.12Å; D219-Y222 PolarHBondContact O-N 3.18Å; D219-Y222 WeakPolarHBondContact OD1-CB 3.47Å; D219-Y222 PolarHBondContact OD1-N 3.37Å; D219-A223 WeakPolarHBondContact O-CB 3.22Å; D219-A223 PolarHBondContact O-N 3.17Å
220	S	98.4	Very high	98.4	Very high	7 Å²	7	51.4 Å²	51.4	5%	0.049	27%	0.266	C	S	.	.	H	α-helix	trans	-52.4	-41.9	-175.8	57.6	0	0	0	0	113.3	P176 S178 L224 V232	P176-S220 PolarHBondContact O-OG 3.16Å; S178-S220 PolarHBondContact O-N 2.98Å; S220-L224 WeakPolarHBondContact O-CB 3.37Å; S220-L224 PolarHBondContact O-N 3.29Å; S220-V232 WeakPolarHBondContact O-CG2 3.39Å
221	K	98.5	Very high	98.4	Very high	170 Å²	170	50.8 Å²	50.8	74%	0.739	27%	0.265	S	S	*	.	H	α-helix	trans	-68.8	-47.8	179.9	-65.7	-177.9	-179.7	179.8	0	112	D219 L224 H225	D219-K221 VanDerWaalsContact C-N 3.26Å; D219-K221 PolarHBondContact O-N 3.27Å; D219-K221 PolarHBondContact OD1-N 3.12Å; K221-L224 PolarHBondContact O-N 2.84Å; K221-H225 WeakPolarHBondContact O-CB 3.33Å; K221-H225 PolarHBondContact O-N 3.21Å
222	Y	98.6	Very high	98.4	Very high	75 Å²	75	52.7 Å²	52.7	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-69.1	-39.1	179.6	-176.7	-128.5	0	0	0	111.6	Q207 L216 L218 D219 L224 H225 I226	Q207-Y222 PolarHBondContact NE2-OH 2.9Å; L216-Y222 HydrophobicContact CD1-CE1 4.37Å; L218-Y222 HydrophobicContact CD2-CD1 3.53Å; L218-Y222 HydrophobicContact CD2-CE1 3.47Å; L218-Y222 VanDerWaalsContact CD2-CE1 3.47Å; D219-Y222 PolarHBondContact O-N 3.18Å; D219-Y222 WeakPolarHBondContact OD1-CB 3.47Å; D219-Y222 PolarHBondContact OD1-N 3.37Å; Y222-L224 VanDerWaalsContact C-N 3.34Å; Y222-L224 PolarHBondContact O-N 3.48Å; Y222-H225 PolarHBondContact O-N 2.95Å; Y222-I226 HydrophobicContact CD2-CG2 3.92Å; Y222-I226 HydrophobicContact CE1-CD1 4.37Å; Y222-I226 HydrophobicContact CE2-CG2 3.46Å; Y222-I226 VanDerWaalsContact CE2-CG2 3.46Å; Y222-I226 WeakPolarHBondContact O-CG1 3.47Å; Y222-I226 PolarHBondContact O-N 3.18Å; Y222-I226 VanDerWaalsContact O-N 3.1Å
223	A	98.8	Very high	98.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-44.6	175.2	0	0	0	0	0	111.4	M174 L218 D219 I226 G227 M228 V229	M174-A223 HydrophobicContact CE-CB 4.43Å; M174-A223 HydrophobicContact SD-CB 3.59Å; M174-A223 VanDerWaalsContact SD-CB 3.59Å; L218-A223 HydrophobicContact CB-CB 4.12Å; D219-A223 WeakPolarHBondContact O-CB 3.22Å; D219-A223 PolarHBondContact O-N 3.17Å; A223-I226 PolarHBondContact O-N 3.47Å; A223-G227 PolarHBondContact O-N 2.84Å; A223-M228 HydrophobicContact CB-CB 4.13Å; A223-M228 HydrophobicContact CB-CG 4.42Å; A223-M228 WeakPolarHBondContact O-CB 3Å; A223-M228 PolarHBondContact O-N 3.48Å; A223-V229 HydrophobicContact CB-CG1 4.14Å; A223-V229 HydrophobicContact CB-CG2 3.88Å; A223-V229 PolarHBondContact O-N 2.83Å
224	L	98.8	Very high	98.4	Very high	79 Å²	79	57.3 Å²	57.3	41%	0.414	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-46.9	175.4	-178	65	0	0	0	111.1	S220 K221 Y222 I226 G227 V229 E230 V232	S220-L224 WeakPolarHBondContact O-CB 3.37Å; S220-L224 PolarHBondContact O-N 3.29Å; K221-L224 PolarHBondContact O-N 2.84Å; Y222-L224 VanDerWaalsContact C-N 3.34Å; Y222-L224 PolarHBondContact O-N 3.48Å; L224-I226 VanDerWaalsContact C-N 3.27Å; L224-I226 PolarHBondContact O-N 2.79Å; L224-G227 PolarHBondContact O-N 2.92Å; L224-G227 VanDerWaalsContact O-N 3.09Å; L224-V229 HydrophobicContact CB-CG2 4.09Å; L224-V229 HydrophobicContact CD1-CG2 4.49Å; L224-V229 WeakPolarHBondContact CD1-O 3.39Å; L224-E230 WeakPolarHBondContact CD1-O 3.17Å; L224-V232 HydrophobicContact CB-CG2 4.24Å; L224-V232 HydrophobicContact CD2-CG2 4.22Å
225	H	98.6	Very high	98.2	Very high	155 Å²	155	56.7 Å²	56.7	72%	0.718	28%	0.281	S	S	*	.	H	α-helix	trans	-57.9	-36.7	-178.8	176.1	65.9	0	0	0	113.5	K221 Y222	K221-H225 WeakPolarHBondContact O-CB 3.33Å; K221-H225 PolarHBondContact O-N 3.21Å; Y222-H225 PolarHBondContact O-N 2.95Å
226	I	98.3	Very high	98.1	Very high	26 Å²	26	58.3 Å²	58.3	13%	0.133	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	4	-178.5	71.9	175.1	0	0	0	113.6	I203 Q207 V211 L218 Y222 A223 L224 M228	I203-I226 HydrophobicContact CD1-CD1 4.12Å; I203-I226 HydrophobicContact CG2-CG1 4.34Å; I203-I226 VanDerWaalsContact CG2-O 3.27Å; I203-I226 WeakPolarHBondContact CG2-O 3.41Å; Q207-I226 HydrophobicContact CG-CB 4.16Å; Q207-I226 HydrophobicContact CG-CD1 4.18Å; Q207-I226 HydrophobicContact CG-CG2 4.42Å; V211-I226 HydrophobicContact CG2-CD1 4.19Å; L218-I226 HydrophobicContact CD1-CD1 4.17Å; L218-I226 HydrophobicContact CD2-CD1 4.13Å; Y222-I226 HydrophobicContact CD2-CG2 3.92Å; Y222-I226 HydrophobicContact CE1-CD1 4.37Å; Y222-I226 HydrophobicContact CE2-CG2 3.46Å; Y222-I226 VanDerWaalsContact CE2-CG2 3.46Å; Y222-I226 WeakPolarHBondContact O-CG1 3.47Å; Y222-I226 PolarHBondContact O-N 3.18Å; Y222-I226 VanDerWaalsContact O-N 3.1Å; A223-I226 PolarHBondContact O-N 3.47Å; L224-I226 VanDerWaalsContact C-N 3.27Å; L224-I226 PolarHBondContact O-N 2.79Å; I226-M228 VanDerWaalsContact C-N 3.33Å; I226-M228 HydrophobicContact CD1-CB 4.24Å; I226-M228 HydrophobicContact CG1-CB 3.95Å
227	G	98.3	Very high	98	Very high	37 Å²	37	59.2 Å²	59.2	38%	0.381	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	19	-177.8	0	0	0	0	0	114.5	I202 A223 L224 V229	I202-G227 WeakPolarHBondContact CG2-O 3.28Å; A223-G227 PolarHBondContact O-N 2.84Å; L224-G227 PolarHBondContact O-N 2.92Å; L224-G227 VanDerWaalsContact O-N 3.09Å; G227-V229 VanDerWaalsContact C-N 3.34Å
228	M	98.3	Very high	97.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-72.5	-30.8	174.9	178	60.5	-164.9	0	0	111.6	T166 T167 R172 I180 L199 I202 I203 L218 A223 I226	T166-M228 WeakPolarHBondContact OG1-CE 3.34Å; T167-M228 HydrophobicContact CG2-CE 4.17Å; R172-M228 WeakPolarHBondContact CD-O 3.38Å; R172-M228 PolarHBondContact NE-O 3.3Å; I180-M228 HydrophobicContact CD1-CE 3.8Å; I180-M228 HydrophobicContact CD1-CG 4.2Å; I180-M228 HydrophobicContact CG2-CE 4.21Å; L199-M228 HydrophobicContact CD1-CE 4.42Å; L199-M228 HydrophobicContact CD1-SD 3.59Å; L199-M228 VanDerWaalsContact CD1-SD 3.59Å; I202-M228 HydrophobicContact CG2-SD 4.32Å; I203-M228 HydrophobicContact CG2-CB 4.01Å; I203-M228 HydrophobicContact CG2-SD 4.49Å; L218-M228 HydrophobicContact CD1-CB 4.49Å; L218-M228 HydrophobicContact CD1-CG 4.05Å; A223-M228 HydrophobicContact CB-CB 4.13Å; A223-M228 HydrophobicContact CB-CG 4.42Å; A223-M228 WeakPolarHBondContact O-CB 3Å; A223-M228 PolarHBondContact O-N 3.48Å; I226-M228 VanDerWaalsContact C-N 3.33Å; I226-M228 HydrophobicContact CD1-CB 4.24Å; I226-M228 HydrophobicContact CG1-CB 3.95Å
229	V	98.7	Very high	97.6	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.018	31%	0.31	C	S	.	.			trans	-132.4	148.9	179.1	-57.3	0	0	0	0	110.6	R172 M174 I180 A223 L224 G227	R172-V229 HydrophobicContact CB-CB 4.15Å; R172-V229 HydrophobicContact CB-CG1 3.71Å; R172-V229 WeakPolarHBondContact O-CB 3.44Å; M174-V229 HydrophobicContact CG-CB 4.47Å; M174-V229 HydrophobicContact CG-CG1 3.81Å; M174-V229 HydrophobicContact CG-CG2 4.45Å; M174-V229 HydrophobicContact SD-CB 4.36Å; M174-V229 HydrophobicContact SD-CG1 3.5Å; M174-V229 WeakPolarHBondContact SD-CG1 3.33Å; M174-V229 HydrophobicContact SD-CG2 4.07Å; I180-V229 HydrophobicContact CD1-CG1 4.08Å; A223-V229 HydrophobicContact CB-CG1 4.14Å; A223-V229 HydrophobicContact CB-CG2 3.88Å; A223-V229 PolarHBondContact O-N 2.83Å; L224-V229 HydrophobicContact CB-CG2 4.09Å; L224-V229 HydrophobicContact CD1-CG2 4.49Å; L224-V229 WeakPolarHBondContact CD1-O 3.39Å; G227-V229 VanDerWaalsContact C-N 3.34Å
230	E	98.5	Very high	97.6	Very high	67 Å²	67	62.8 Å²	62.8	31%	0.313	32%	0.317	S	S	.	.	S	Bend	trans	-80.6	-36.9	-176.7	-72	69.2	-155.6	0	0	111.4	F171 R172 L224 W248	F171-E230 WeakPolarHBondContact CA-OE2 3.45Å; F171-E230 HydrophobicContact CB-CG 4.34Å; F171-E230 HydrophobicContact CD1-CG 3.72Å; F171-E230 HydrophobicContact CG-CG 4.43Å; R172-E230 IonicContact CZ-OE1 2.79Å; R172-E230 PolarHBondContact N-OE2 2.69Å; R172-E230 IonicContact NE-OE2 3.78Å; R172-E230 IonicContact NH2-OE1 3.6Å; R172-E230 PolarHBondContact NH2-OE1 3Å; R172-E230 IonicContact NH2-OE2 2.6Å; R172-E230 PolarHBondContact O-N 2.71Å; L224-E230 WeakPolarHBondContact CD1-O 3.17Å; E230-W248 HydrophobicContact CB-CZ2 4.1Å
231	E	98.5	Very high	97.5	Very high	90 Å²	90	62.5 Å²	62.5	42%	0.421	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	151.6	-178	-162.9	168.4	154.3	0	0	112.9	L173 M174 W248	L173-E231 WeakPolarHBondContact CA-O 2.97Å; L173-E231 HydrophobicContact CD2-CB 3.73Å; M174-E231 PolarHBondContact N-O 2.64Å; M174-E231 VanDerWaalsContact N-O 3.07Å; E231-W248 PolarHBondContact OE2-NE1 2.99Å
232	V	98.7	Very high	97.5	Very high	39 Å²	39	55.5 Å²	55.5	24%	0.236	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.2	169.9	-177.4	0	0	0	0	108.1	M174 P176 S220 L224	M174-V232 CarbonylContact O-C 3.59Å; M174-V232 VanDerWaalsContact O-CA 3.26Å; M174-V232 WeakPolarHBondContact O-CA 3.24Å; P176-V232 HydrophobicContact CG-CG1 4.37Å; S220-V232 WeakPolarHBondContact O-CG2 3.39Å; L224-V232 HydrophobicContact CB-CG2 4.24Å; L224-V232 HydrophobicContact CD2-CG2 4.22Å
233	L	98.4	Very high	97.5	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.037	30%	0.297	C	S	.	.			trans	-68.8	162.9	-179	-60.9	-174.9	0	0	0	111.9	L153 L173 M174 P176 S241 E244 A245	L153-L233 HydrophobicContact CD1-CD1 3.53Å; L173-L233 HydrophobicContact CB-CD1 4.25Å; L173-L233 HydrophobicContact CB-CD2 4.41Å; L173-L233 HydrophobicContact CB-CG 4.2Å; L173-L233 HydrophobicContact CD1-CD2 4.29Å; M174-L233 PolarHBondContact O-N 3.49Å; P176-L233 VanDerWaalsContact CD-O 3.28Å; P176-L233 WeakPolarHBondContact CD-O 3.35Å; P176-L233 VanDerWaalsContact CG-O 3.31Å; P176-L233 WeakPolarHBondContact CG-O 3.42Å; L233-S241 WeakPolarHBondContact CD1-O 3.45Å; L233-E244 WeakPolarHBondContact CB-OE2 3.31Å; L233-E244 HydrophobicContact CD1-CB 4.22Å; L233-E244 HydrophobicContact CD2-CB 4.13Å; L233-A245 HydrophobicContact CD1-CB 4.38Å
234	Q	97.4	Very high	97.5	Very high	176 Å²	176	59.6 Å²	59.6	82%	0.822	31%	0.307	S	S	*	.	S	Bend	trans	-81.6	-44.5	-177.3	-60.7	-175.8	-4	0	0	111.6	E244	Q234-E244 PolarHBondContact N-OE2 3.44Å
235	S	95.3	Very high	97.5	Very high	23 Å²	23	55.8 Å²	55.8	16%	0.161	29%	0.288	C	S	.	.			trans	-93.1	145.8	-178	-169.3	0	0	0	0	112.9	T175 D237 K240 S241 E244	T175-S235 WeakPolarHBondContact CG2-O 3.4Å; S235-D237 WeakPolarHBondContact OG-CB 3.33Å; S235-D237 PolarHBondContact OG-N 3.3Å; S235-K240 WeakPolarHBondContact OG-CB 3.25Å; S235-S241 WeakPolarHBondContact O-CB 3.41Å; S235-E244 WeakPolarHBondContact CB-OE1 3.41Å; S235-E244 PolarHBondContact N-OE1 3.5Å
236	S	94.4	Very high	97.5	Very high	38 Å²	38	49.6 Å²	49.6	27%	0.266	26%	0.259	S	S	.	.			trans	-103.5	0.3	163.1	-82.7	0	0	0	0	113.1	N109 T175 P176 E177	N109-S236 PolarHBondContact ND2-O 3.36Å; T175-S236 VanDerWaalsContact CB-OG 3.29Å; T175-S236 WeakPolarHBondContact CB-OG 3.38Å; T175-S236 PolarHBondContact OG1-OG 3.27Å; P176-S236 WeakPolarHBondContact CD-OG 3.29Å; E177-S236 VanDerWaalsContact OE2-CB 3.27Å; E177-S236 WeakPolarHBondContact OE2-CB 3.25Å; E177-S236 PolarHBondContact OE2-OG 2.95Å
237	D	95.4	Very high	97.5	Very high	77 Å²	77	53.2 Å²	53.2	41%	0.412	28%	0.276	S	S	.	.	S	Bend	trans	-65.9	140.5	170.5	173.8	-102.3	0	0	0	110.5	S235 T239 K240 S241	S235-D237 WeakPolarHBondContact OG-CB 3.33Å; S235-D237 PolarHBondContact OG-N 3.3Å; D237-T239 VanDerWaalsContact C-N 3.34Å; D237-T239 PolarHBondContact O-N 2.88Å; D237-T239 PolarHBondContact OD1-N 3.1Å; D237-T239 VanDerWaalsContact OD1-N 3.13Å; D237-K240 HydrophobicContact CB-CB 4.18Å; D237-K240 HydrophobicContact CB-CD 4.29Å; D237-K240 HydrophobicContact CB-CG 4.36Å; D237-K240 WeakPolarHBondContact OD1-CG 3.21Å; D237-K240 PolarHBondContact OD1-N 3.17Å; D237-S241 WeakPolarHBondContact O-CB 3.28Å; D237-S241 PolarHBondContact O-N 2.84Å; D237-S241 PolarHBondContact O-OG 2.89Å
238	E	93.3	Very high	97.5	Very high	47 Å²	47	52.6 Å²	52.6	22%	0.22	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-42.7	-170.5	-169	170.1	-178.1	0	0	112.5	R105 K108 N109 Q155	R105-E238 IonicContact CZ-OE1 2.65Å; R105-E238 IonicContact NH1-OE1 2.59Å; R105-E238 VanDerWaalsContact NH2-CD 3.29Å; R105-E238 IonicContact NH2-OE1 3.76Å; R105-E238 PolarHBondContact NH2-OE1 3.14Å; K108-E238 PolarHBondContact N-OE1 3.32Å; N109-E238 VanDerWaalsContact OD1-CA 3.25Å; N109-E238 WeakPolarHBondContact OD1-CA 3.33Å; N109-E238 VanDerWaalsContact OD1-CB 3.27Å; N109-E238 WeakPolarHBondContact OD1-CB 3.06Å; N109-E238 WeakPolarHBondContact OD1-CG 3.34Å; Q155-E238 PolarHBondContact NE2-O 3.2Å
239	T	96.3	Very high	97.5	Very high	84 Å²	84	52.6 Å²	52.6	52%	0.515	26%	0.262	S	S	.	.	H	α-helix	trans	-79.6	-49.3	-177.5	-57.4	0	0	0	0	110.5	D237 S241 L242 E243	D237-T239 VanDerWaalsContact C-N 3.34Å; D237-T239 PolarHBondContact O-N 2.88Å; D237-T239 PolarHBondContact OD1-N 3.1Å; D237-T239 VanDerWaalsContact OD1-N 3.13Å; T239-S241 PolarHBondContact O-N 3.29Å; T239-L242 WeakPolarHBondContact O-CB 3.15Å; T239-L242 PolarHBondContact O-N 3.41Å; T239-L242 VanDerWaalsContact O-N 3.11Å; T239-E243 PolarHBondContact O-N 3.45Å
240	K	97.8	Very high	97.4	Very high	119 Å²	119	56.2 Å²	56.2	52%	0.517	28%	0.277	S	S	.	.	H	α-helix	trans	-63.3	-40.5	-176.7	-68.1	-180	179.4	-177.4	0	112.9	S235 D237 L242 E243 E244	S235-K240 WeakPolarHBondContact OG-CB 3.25Å; D237-K240 HydrophobicContact CB-CB 4.18Å; D237-K240 HydrophobicContact CB-CD 4.29Å; D237-K240 HydrophobicContact CB-CG 4.36Å; D237-K240 WeakPolarHBondContact OD1-CG 3.21Å; D237-K240 PolarHBondContact OD1-N 3.17Å; K240-L242 VanDerWaalsContact C-N 3.27Å; K240-L242 PolarHBondContact O-N 2.99Å; K240-E243 WeakPolarHBondContact O-CB 3.45Å; K240-E243 PolarHBondContact O-N 2.69Å; K240-E244 WeakPolarHBondContact O-CG 3.18Å; K240-E244 PolarHBondContact O-N 2.94Å
241	S	97.9	Very high	97.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.1	-27.4	177.2	55.8	0	0	0	0	112.9	Q155 L233 S235 D237 T239 A245	Q155-S241 PolarHBondContact NE2-OG 3.33Å; L233-S241 WeakPolarHBondContact CD1-O 3.45Å; S235-S241 WeakPolarHBondContact O-CB 3.41Å; D237-S241 WeakPolarHBondContact O-CB 3.28Å; D237-S241 PolarHBondContact O-N 2.84Å; D237-S241 PolarHBondContact O-OG 2.89Å; T239-S241 PolarHBondContact O-N 3.29Å; S241-A245 WeakPolarHBondContact O-CB 3.41Å; S241-A245 PolarHBondContact O-N 3.23Å
242	L	98.3	Very high	97.1	Very high	24 Å²	24	58.8 Å²	58.8	13%	0.126	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-44.1	170.2	176.2	58.3	0	0	0	111.3	I66 I103 L153 T239 K240 E244 A245 Q246	I66-L242 HydrophobicContact CD1-CD1 4.37Å; I66-L242 HydrophobicContact CD1-CD2 4.22Å; I66-L242 HydrophobicContact CG2-CD1 4.5Å; I103-L242 HydrophobicContact CD1-CD1 4.25Å; I103-L242 HydrophobicContact CG2-CD1 4.11Å; L153-L242 HydrophobicContact CD2-CB 4.16Å; L153-L242 HydrophobicContact CD2-CD1 4.18Å; T239-L242 WeakPolarHBondContact O-CB 3.15Å; T239-L242 PolarHBondContact O-N 3.41Å; T239-L242 VanDerWaalsContact O-N 3.11Å; K240-L242 VanDerWaalsContact C-N 3.27Å; K240-L242 PolarHBondContact O-N 2.99Å; L242-E244 VanDerWaalsContact C-N 3.34Å; L242-E244 PolarHBondContact O-N 3.4Å; L242-A245 PolarHBondContact O-N 2.86Å; L242-Q246 HydrophobicContact CD1-CG 4.33Å; L242-Q246 WeakPolarHBondContact O-CG 3.47Å; L242-Q246 PolarHBondContact O-N 3.28Å
243	E	98.3	Very high	97	Very high	111 Å²	111	57.2 Å²	57.2	52%	0.519	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-44.7	174.7	-68.3	171	179.2	0	0	111.6	T239 K240 Q246 E247	T239-E243 PolarHBondContact O-N 3.45Å; K240-E243 WeakPolarHBondContact O-CB 3.45Å; K240-E243 PolarHBondContact O-N 2.69Å; E243-Q246 PolarHBondContact O-N 3.3Å; E243-E247 PolarHBondContact O-N 2.76Å
244	E	98.4	Very high	96.7	Very high	49 Å²	49	64.6 Å²	64.6	23%	0.229	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-44.7	174.6	-73.1	177.2	-124.7	0	0	111.7	L233 Q234 S235 K240 L242 Q246 E247 W248	L233-E244 WeakPolarHBondContact CB-OE2 3.31Å; L233-E244 HydrophobicContact CD1-CB 4.22Å; L233-E244 HydrophobicContact CD2-CB 4.13Å; Q234-E244 PolarHBondContact N-OE2 3.44Å; S235-E244 WeakPolarHBondContact CB-OE1 3.41Å; S235-E244 PolarHBondContact N-OE1 3.5Å; K240-E244 WeakPolarHBondContact O-CG 3.18Å; K240-E244 PolarHBondContact O-N 2.94Å; L242-E244 VanDerWaalsContact C-N 3.34Å; L242-E244 PolarHBondContact O-N 3.4Å; E244-Q246 VanDerWaalsContact C-N 3.35Å; E244-Q246 PolarHBondContact O-N 2.95Å; E244-E247 PolarHBondContact O-N 3.25Å; E244-W248 WeakPolarHBondContact O-CB 3.34Å; E244-W248 PolarHBondContact O-N 3.26Å
245	A	98.6	Very high	96.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-36.5	176.9	0	0	0	0	0	112.7	I103 L153 L173 L233 S241 L242 W248 L249	I103-A245 HydrophobicContact CD1-CB 4.08Å; L153-A245 HydrophobicContact CD1-CB 4.22Å; L153-A245 HydrophobicContact CD2-CB 4.04Å; L153-A245 HydrophobicContact CG-CB 4.49Å; L173-A245 HydrophobicContact CD1-CB 3.81Å; L233-A245 HydrophobicContact CD1-CB 4.38Å; S241-A245 WeakPolarHBondContact O-CB 3.41Å; S241-A245 PolarHBondContact O-N 3.23Å; L242-A245 PolarHBondContact O-N 2.86Å; A245-W248 PolarHBondContact O-N 3.46Å; A245-L249 WeakPolarHBondContact O-CB 3.47Å; A245-L249 PolarHBondContact O-N 3.31Å
246	Q	98.5	Very high	96.3	Very high	24 Å²	24	59.3 Å²	59.3	11%	0.112	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-44.2	173.4	-73.8	175.3	-75.1	0	0	111.1	E60 I64 I103 L242 E243 E244 W248 L249 K250	E60-Q246 PolarHBondContact OE1-NE2 3.25Å; E60-Q246 PolarHBondContact OE2-NE2 2.88Å; I64-Q246 HydrophobicContact CD1-CB 4.49Å; I103-Q246 HydrophobicContact CD1-CB 4.28Å; I103-Q246 HydrophobicContact CD1-CG 3.56Å; L242-Q246 HydrophobicContact CD1-CG 4.33Å; L242-Q246 WeakPolarHBondContact O-CG 3.47Å; L242-Q246 PolarHBondContact O-N 3.28Å; E243-Q246 PolarHBondContact O-N 3.3Å; E244-Q246 VanDerWaalsContact C-N 3.35Å; E244-Q246 PolarHBondContact O-N 2.95Å; Q246-W248 VanDerWaalsContact C-N 3.35Å; Q246-L249 PolarHBondContact O-N 2.68Å; Q246-K250 WeakPolarHBondContact O-CB 3.26Å; Q246-K250 VanDerWaalsContact O-CG 3.22Å; Q246-K250 WeakPolarHBondContact O-CG 3.31Å; Q246-K250 PolarHBondContact O-N 3.09Å
247	E	98.1	Very high	96.2	Very high	103 Å²	103	59 Å²	59	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-65.8	-39.5	177.3	-167.7	55.3	-146.7	0	0	112.1	E243 E244 K250 Q251	E243-E247 PolarHBondContact O-N 2.76Å; E244-E247 PolarHBondContact O-N 3.25Å; E247-K250 PolarHBondContact O-N 3.1Å; E247-K250 WeakPolarHBondContact OE2-CD 3.33Å; E247-K250 IonicContact OE2-NZ 3.06Å; E247-K250 PolarHBondContact OE2-NZ 3.47Å; E247-Q251 PolarHBondContact O-NE2 2.63Å
248	W	98.4	Very high	96.2	Very high	23 Å²	23	59.4 Å²	59.4	9%	0.087	30%	0.297	C	S	.	.	H	α-helix	trans	-57.5	-52	172	-169.9	95.3	0	0	0	111.3	V151 F171 L173 E230 E231 E244 A245 Q246 K250 Q251 F252	V151-W248 HydrophobicContact CG2-CE3 4.21Å; V151-W248 HydrophobicContact CG2-CZ3 3.86Å; F171-W248 HydrophobicContact CB-CH2 3.81Å; F171-W248 HydrophobicContact CB-CZ3 4.04Å; F171-W248 HydrophobicContact CD1-CH2 4.14Å; F171-W248 AromaticContact CD2-CH2 3.69Å; F171-W248 HydrophobicContact CD2-CH2 3.69Å; F171-W248 AromaticContact CD2-CZ3 3.79Å; F171-W248 HydrophobicContact CD2-CZ3 3.79Å; F171-W248 HydrophobicContact CE2-CH2 4.26Å; F171-W248 HydrophobicContact CE2-CZ3 4.5Å; F171-W248 AromaticContact CG-CH2 3.61Å; F171-W248 HydrophobicContact CG-CH2 3.61Å; F171-W248 HydrophobicContact CG-CZ3 4.03Å; L173-W248 HydrophobicContact CD1-CB 4.04Å; L173-W248 HydrophobicContact CD1-CD2 4.01Å; L173-W248 HydrophobicContact CD1-CE3 4.12Å; L173-W248 HydrophobicContact CD1-CG 3.96Å; L173-W248 HydrophobicContact CD2-CD2 3.92Å; L173-W248 HydrophobicContact CD2-CE3 4.43Å; L173-W248 HydrophobicContact CD2-CG 4.14Å; L173-W248 HydrophobicContact CD2-CZ2 4.33Å; L173-W248 HydrophobicContact CG-CD2 4.5Å; E230-W248 HydrophobicContact CB-CZ2 4.1Å; E231-W248 PolarHBondContact OE2-NE1 2.99Å; E244-W248 WeakPolarHBondContact O-CB 3.34Å; E244-W248 PolarHBondContact O-N 3.26Å; A245-W248 PolarHBondContact O-N 3.46Å; Q246-W248 VanDerWaalsContact C-N 3.35Å; W248-K250 PolarHBondContact O-N 2.93Å; W248-Q251 WeakPolarHBondContact O-CB 3.29Å; W248-Q251 PolarHBondContact O-N 2.88Å; W248-F252 HydrophobicContact CD2-CD2 4.48Å; W248-F252 AromaticContact CD2-CE2 3.79Å; W248-F252 HydrophobicContact CD2-CE2 3.79Å; W248-F252 AromaticContact CE2-CE2 3.7Å; W248-F252 HydrophobicContact CE3-CD2 4Å; W248-F252 AromaticContact CE3-CE2 3.72Å; W248-F252 HydrophobicContact CE3-CE2 3.72Å; W248-F252 HydrophobicContact CH2-CD2 4.04Å; W248-F252 AromaticContact CH2-CE2 3.48Å; W248-F252 HydrophobicContact CH2-CE2 3.48Å; W248-F252 VanDerWaalsContact CH2-CE2 3.48Å; W248-F252 HydrophobicContact CH2-CZ 4.09Å; W248-F252 AromaticContact CZ2-CE2 3.57Å; W248-F252 HydrophobicContact CZ2-CE2 3.57Å; W248-F252 AromaticContact CZ2-CZ 3.96Å; W248-F252 HydrophobicContact CZ2-CZ 3.96Å; W248-F252 AromaticContact CZ3-CD2 3.76Å; W248-F252 HydrophobicContact CZ3-CD2 3.76Å; W248-F252 AromaticContact CZ3-CE2 3.56Å; W248-F252 HydrophobicContact CZ3-CE2 3.56Å; W248-F252 WeakPolarHBondContact O-CD2 3.28Å; W248-F252 WeakPolarHBondContact O-CE2 3.46Å
249	L	98.4	Very high	96.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.1	-37.2	-178	-178.6	53.9	0	0	0	112.6	I64 I103 I149 V151 A245 Q246 Q251 F252 I253	I64-L249 HydrophobicContact CD1-CD2 4.41Å; I64-L249 HydrophobicContact CG1-CD2 4.41Å; I64-L249 HydrophobicContact CG2-CD2 4.27Å; I103-L249 HydrophobicContact CD1-CD2 4.3Å; I103-L249 HydrophobicContact CG1-CD2 3.75Å; I149-L249 HydrophobicContact CB-CD1 4.13Å; I149-L249 HydrophobicContact CG2-CD1 3.73Å; V151-L249 HydrophobicContact CG2-CB 4.4Å; V151-L249 HydrophobicContact CG2-CD1 3.79Å; V151-L249 HydrophobicContact CG2-CD2 4.15Å; V151-L249 HydrophobicContact CG2-CG 4.33Å; A245-L249 WeakPolarHBondContact O-CB 3.47Å; A245-L249 PolarHBondContact O-N 3.31Å; Q246-L249 PolarHBondContact O-N 2.68Å; L249-Q251 PolarHBondContact O-N 3.17Å; L249-Q251 VanDerWaalsContact O-N 3.11Å; L249-F252 PolarHBondContact O-N 3.27Å; L249-I253 HydrophobicContact CD1-CG2 3.98Å; L249-I253 HydrophobicContact CG-CG2 4.31Å; L249-I253 WeakPolarHBondContact O-CG1 3.44Å; L249-I253 PolarHBondContact O-N 3.17Å
250	K	97.2	Very high	96.2	Very high	79 Å²	79	55.9 Å²	55.9	34%	0.343	28%	0.278	S	S	.	.	H	α-helix	trans	-52.6	-34.5	178.8	-83.5	173	-165.1	165.6	0	112.6	I64 Q246 E247 W248 F252 I253 Q254	I64-K250 HydrophobicContact CD1-CG 4.08Å; Q246-K250 WeakPolarHBondContact O-CB 3.26Å; Q246-K250 VanDerWaalsContact O-CG 3.22Å; Q246-K250 WeakPolarHBondContact O-CG 3.31Å; Q246-K250 PolarHBondContact O-N 3.09Å; E247-K250 PolarHBondContact O-N 3.1Å; E247-K250 WeakPolarHBondContact OE2-CD 3.33Å; E247-K250 IonicContact OE2-NZ 3.06Å; E247-K250 PolarHBondContact OE2-NZ 3.47Å; W248-K250 PolarHBondContact O-N 2.93Å; K250-F252 PolarHBondContact O-N 3.27Å; K250-I253 PolarHBondContact O-N 3.29Å; K250-Q254 WeakPolarHBondContact O-CG 3.46Å; K250-Q254 PolarHBondContact O-N 3.38Å
251	Q	95.6	Very high	96.1	Very high	120 Å²	120	52 Å²	52	56%	0.561	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.5	178.8	-62.6	173.1	61.7	0	0	112.9	E247 W248 L249	E247-Q251 PolarHBondContact O-NE2 2.63Å; W248-Q251 WeakPolarHBondContact O-CB 3.29Å; W248-Q251 PolarHBondContact O-N 2.88Å; L249-Q251 PolarHBondContact O-N 3.17Å; L249-Q251 VanDerWaalsContact O-N 3.11Å
252	F	95.4	Very high	95.9	Very high	92 Å²	92	52.5 Å²	52.5	40%	0.404	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-10.8	-176.7	-53.5	-73.4	0	0	0	113.8	I149 W248 L249 K250	I149-F252 HydrophobicContact CD1-CB 4.12Å; W248-F252 HydrophobicContact CD2-CD2 4.48Å; W248-F252 AromaticContact CD2-CE2 3.79Å; W248-F252 HydrophobicContact CD2-CE2 3.79Å; W248-F252 AromaticContact CE2-CE2 3.7Å; W248-F252 HydrophobicContact CE3-CD2 4Å; W248-F252 AromaticContact CE3-CE2 3.72Å; W248-F252 HydrophobicContact CE3-CE2 3.72Å; W248-F252 HydrophobicContact CH2-CD2 4.04Å; W248-F252 AromaticContact CH2-CE2 3.48Å; W248-F252 HydrophobicContact CH2-CE2 3.48Å; W248-F252 VanDerWaalsContact CH2-CE2 3.48Å; W248-F252 HydrophobicContact CH2-CZ 4.09Å; W248-F252 AromaticContact CZ2-CE2 3.57Å; W248-F252 HydrophobicContact CZ2-CE2 3.57Å; W248-F252 AromaticContact CZ2-CZ 3.96Å; W248-F252 HydrophobicContact CZ2-CZ 3.96Å; W248-F252 AromaticContact CZ3-CD2 3.76Å; W248-F252 HydrophobicContact CZ3-CD2 3.76Å; W248-F252 AromaticContact CZ3-CE2 3.56Å; W248-F252 HydrophobicContact CZ3-CE2 3.56Å; W248-F252 WeakPolarHBondContact O-CD2 3.28Å; W248-F252 WeakPolarHBondContact O-CE2 3.46Å; L249-F252 PolarHBondContact O-N 3.27Å; K250-F252 PolarHBondContact O-N 3.27Å
253	I	95.7	Very high	95.8	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.026	29%	0.286	C	S	.	.	S	Bend	trans	-115.8	15.5	-177.7	66.7	158.9	0	0	0	113.4	I64 K100 I149 L249 K250 G255 I260	I64-I253 HydrophobicContact CD1-CD1 3.77Å; I64-I253 HydrophobicContact CG1-CD1 3.32Å; K100-I253 HydrophobicContact CB-CB 3.9Å; K100-I253 HydrophobicContact CB-CD1 4.23Å; K100-I253 HydrophobicContact CB-CG2 4.12Å; I149-I253 HydrophobicContact CB-CG2 4.3Å; I149-I253 HydrophobicContact CD1-CG2 4.1Å; I149-I253 HydrophobicContact CG1-CG2 4.49Å; L249-I253 HydrophobicContact CD1-CG2 3.98Å; L249-I253 HydrophobicContact CG-CG2 4.31Å; L249-I253 WeakPolarHBondContact O-CG1 3.44Å; L249-I253 PolarHBondContact O-N 3.17Å; K250-I253 PolarHBondContact O-N 3.29Å; I253-G255 PolarHBondContact O-N 2.93Å; I253-I260 HydrophobicContact CB-CD1 4.27Å; I253-I260 VanDerWaalsContact O-CD1 3.28Å; I253-I260 WeakPolarHBondContact O-CD1 3.23Å
254	Q	91.9	Very high	95.7	Very high	163 Å²	163	52.1 Å²	52.1	76%	0.762	26%	0.264	S	S	*	.			trans	-72.7	115.4	168	-79.5	-179.1	22.2	0	0	109.9	K250	K250-Q254 WeakPolarHBondContact O-CG 3.46Å; K250-Q254 PolarHBondContact O-N 3.38Å
255	G	90.6	Very high	95.4	Very high	41 Å²	41	53.4 Å²	53.4	42%	0.423	27%	0.27	S	S	.	.	S	Bend	trans	138.3	-176.8	175.8	0	0	0	0	0	113.2	I253	I253-G255 PolarHBondContact O-N 2.93Å
256	P	93.5	Very high	95.2	Very high	47 Å²	47	54.5 Å²	54.5	31%	0.305	28%	0.277	S	S	.	.			trans	-64.2	129.8	-179.8	-22.2	35.6	0	0	0	111.5	E258 V259 I260 A294	P256-E258 VanDerWaalsContact C-N 3.28Å; P256-E258 VanDerWaalsContact CB-CD 3.5Å; P256-E258 WeakPolarHBondContact CB-OE1 3.21Å; P256-E258 WeakPolarHBondContact CB-OE2 3.33Å; P256-E258 PolarHBondContact O-N 3.43Å; P256-V259 HydrophobicContact CB-CG2 4.14Å; P256-V259 HydrophobicContact CG-CG2 4.46Å; P256-V259 PolarHBondContact O-N 3.09Å; P256-V259 VanDerWaalsContact O-N 3.1Å; P256-I260 PolarHBondContact O-N 3.25Å; P256-A294 HydrophobicContact CB-CB 3.69Å; P256-A294 HydrophobicContact CG-CB 3.45Å; P256-A294 VanDerWaalsContact CG-CB 3.45Å
257	P	93.8	Very high	95.1	Very high	31 Å²	31	58.6 Å²	58.6	20%	0.201	30%	0.303	C	S	.	.	H	α-helix	trans	-54	-41.6	-177.4	-24.6	31.6	0	0	0	113.5	K100 V259 I260 R261	K100-P257 HydrophobicContact CD-CB 4.32Å; K100-P257 HydrophobicContact CD-CG 4Å; K100-P257 HydrophobicContact CG-CB 3.87Å; K100-P257 HydrophobicContact CG-CG 4.06Å; P257-V259 VanDerWaalsContact C-N 3.25Å; P257-V259 PolarHBondContact O-N 3.45Å; P257-I260 PolarHBondContact O-N 2.86Å; P257-R261 WeakPolarHBondContact O-CB 3.33Å; P257-R261 WeakPolarHBondContact O-CD 3.35Å; P257-R261 WeakPolarHBondContact O-CG 3.16Å; P257-R261 PolarHBondContact O-N 3.21Å
258	E	93.8	Very high	94.8	Very high	86 Å²	86	54.1 Å²	54.1	40%	0.402	28%	0.283	S	S	.	.	H	α-helix	trans	-59.5	-34.9	-179.5	69.6	-80.5	-165.5	0	0	112.9	P256 A262 V289 A294	P256-E258 VanDerWaalsContact C-N 3.28Å; P256-E258 VanDerWaalsContact CB-CD 3.5Å; P256-E258 WeakPolarHBondContact CB-OE1 3.21Å; P256-E258 WeakPolarHBondContact CB-OE2 3.33Å; P256-E258 PolarHBondContact O-N 3.43Å; E258-A262 WeakPolarHBondContact O-CB 3.21Å; E258-A262 PolarHBondContact O-N 3.05Å; E258-V289 HydrophobicContact CG-CG1 4.46Å; E258-A294 VanDerWaalsContact OE1-CB 3.23Å; E258-A294 WeakPolarHBondContact OE1-CB 3.46Å
259	V	95.3	Very high	94.4	Very high	47 Å²	47	53.3 Å²	53.3	29%	0.285	28%	0.281	S	S	.	.	H	α-helix	trans	-75	-46.7	178.9	179.5	0	0	0	0	110.7	P256 P257 R261 A262 L263 V289 A294	P256-V259 HydrophobicContact CB-CG2 4.14Å; P256-V259 HydrophobicContact CG-CG2 4.46Å; P256-V259 PolarHBondContact O-N 3.09Å; P256-V259 VanDerWaalsContact O-N 3.1Å; P257-V259 VanDerWaalsContact C-N 3.25Å; P257-V259 PolarHBondContact O-N 3.45Å; V259-R261 VanDerWaalsContact C-N 3.3Å; V259-R261 PolarHBondContact O-N 2.88Å; V259-A262 PolarHBondContact O-N 3.33Å; V259-L263 HydrophobicContact CG1-CD1 4.25Å; V259-L263 WeakPolarHBondContact O-CG 3.4Å; V259-L263 PolarHBondContact O-N 3Å; V259-V289 HydrophobicContact CG2-CB 4.43Å; V259-V289 HydrophobicContact CG2-CG1 4.25Å; V259-A294 HydrophobicContact CG2-CB 4.28Å
260	I	95.6	Very high	94.1	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.051	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-44.8	177.9	-66.5	159.6	0	0	0	110.3	K100 I149 I253 P256 P257 A262 L263 K264	K100-I260 HydrophobicContact CB-CD1 4.3Å; K100-I260 HydrophobicContact CD-CD1 3.76Å; K100-I260 HydrophobicContact CG-CD1 4Å; I149-I260 HydrophobicContact CD1-CG2 3.93Å; I149-I260 HydrophobicContact CG1-CG2 4.17Å; I253-I260 HydrophobicContact CB-CD1 4.27Å; I253-I260 VanDerWaalsContact O-CD1 3.28Å; I253-I260 WeakPolarHBondContact O-CD1 3.23Å; P256-I260 PolarHBondContact O-N 3.25Å; P257-I260 PolarHBondContact O-N 2.86Å; I260-A262 PolarHBondContact O-N 3.33Å; I260-L263 PolarHBondContact O-N 2.88Å; I260-K264 PolarHBondContact O-N 2.87Å
261	R	94.3	Very high	93.7	Very high	36 Å²	36	57 Å²	57	14%	0.136	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-42.2	177.2	-65.7	163.7	77.6	94.7	-0.3	111.8	W96 T97 G99 P147 P257 V259 K265	W96-R261 PolarHBondContact O-NH1 3.42Å; T97-R261 PolarHBondContact O-NH1 2.83Å; T97-R261 VanDerWaalsContact O-NH1 3.11Å; G99-R261 PolarHBondContact O-NH1 2.81Å; P147-R261 HydrophobicContact CB-CB 4.24Å; P147-R261 HydrophobicContact CB-CG 4.22Å; P147-R261 VanDerWaalsContact O-CG 3.25Å; P147-R261 WeakPolarHBondContact O-CG 3.45Å; P257-R261 WeakPolarHBondContact O-CB 3.33Å; P257-R261 WeakPolarHBondContact O-CD 3.35Å; P257-R261 WeakPolarHBondContact O-CG 3.16Å; P257-R261 PolarHBondContact O-N 3.21Å; V259-R261 VanDerWaalsContact C-N 3.3Å; V259-R261 PolarHBondContact O-N 2.88Å; R261-K265 WeakPolarHBondContact O-CG 3.48Å; R261-K265 PolarHBondContact O-N 3.48Å
262	A	94.5	Very high	93.3	Very high	12 Å²	12	53.7 Å²	53.7	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-42.3	176.9	0	0	0	0	0	111.7	E258 V259 I260 K265 S266 L285 V289	E258-A262 WeakPolarHBondContact O-CB 3.21Å; E258-A262 PolarHBondContact O-N 3.05Å; V259-A262 PolarHBondContact O-N 3.33Å; I260-A262 PolarHBondContact O-N 3.33Å; A262-K265 PolarHBondContact O-N 3.28Å; A262-S266 PolarHBondContact O-N 2.94Å; A262-L285 HydrophobicContact CB-CD2 4.48Å; A262-V289 HydrophobicContact CB-CG1 4.17Å
263	L	95.8	Very high	93	Very high	112 Å²	112	50.3 Å²	50.3	59%	0.586	28%	0.279	S	S	*	.	H	α-helix	trans	-60.5	-49.8	175.7	-72.2	169.2	0	0	0	111.7	V259 I260 K265 S266 V267	V259-L263 HydrophobicContact CG1-CD1 4.25Å; V259-L263 WeakPolarHBondContact O-CG 3.4Å; V259-L263 PolarHBondContact O-N 3Å; I260-L263 PolarHBondContact O-N 2.88Å; L263-K265 VanDerWaalsContact C-N 3.29Å; L263-K265 PolarHBondContact O-N 3.23Å; L263-S266 PolarHBondContact O-N 2.7Å; L263-S266 VanDerWaalsContact O-N 3.13Å; L263-V267 WeakPolarHBondContact O-CG2 3.44Å; L263-V267 PolarHBondContact O-N 2.96Å
264	K	95.8	Very high	92.8	Very high	14 Å²	14	59.1 Å²	59.1	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-55	-44.8	176.2	170.9	56.9	177.2	153.1	0	111.5	M144 L146 L148 D170 I260 C268	M144-K264 PolarHBondContact O-NZ 3.46Å; L146-K264 WeakPolarHBondContact O-CE 3.47Å; L146-K264 WeakPolarHBondContact O-CG 3.27Å; L148-K264 VanDerWaalsContact O-CE 3.31Å; L148-K264 WeakPolarHBondContact O-CE 3.42Å; D170-K264 IonicContact OD1-NZ 2.88Å; D170-K264 PolarHBondContact OD1-NZ 3.16Å; D170-K264 WeakPolarHBondContact OD2-CE 3.42Å; D170-K264 IonicContact OD2-NZ 2.8Å; D170-K264 PolarHBondContact OD2-NZ 3.39Å; D170-K264 VanDerWaalsContact OD2-NZ 3.12Å; I260-K264 PolarHBondContact O-N 2.87Å; K264-C268 PolarHBondContact NZ-SG 3.37Å; K264-C268 PolarHBondContact O-N 2.83Å; K264-C268 PolarHBondContact O-SG 2.99Å; K264-C268 VanDerWaalsContact O-SG 3.34Å
265	K	93.6	Very high	92.9	Very high	77 Å²	77	57.8 Å²	57.8	34%	0.335	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-43.1	176.1	-73.4	177.5	-179.3	-174.6	0	112.7	R261 A262 L263 V267 C268 S269 L285	R261-K265 WeakPolarHBondContact O-CG 3.48Å; R261-K265 PolarHBondContact O-N 3.48Å; A262-K265 PolarHBondContact O-N 3.28Å; L263-K265 VanDerWaalsContact C-N 3.29Å; L263-K265 PolarHBondContact O-N 3.23Å; K265-V267 PolarHBondContact O-N 3.48Å; K265-C268 PolarHBondContact O-N 2.91Å; K265-S269 PolarHBondContact O-N 3.42Å; K265-S269 PolarHBondContact O-OG 3.47Å; K265-S269 VanDerWaalsContact O-OG 3.14Å; K265-L285 HydrophobicContact CB-CD1 3.77Å; K265-L285 HydrophobicContact CB-CD2 4.1Å; K265-L285 HydrophobicContact CD-CD2 4.01Å
266	S	94.4	Very high	93	Very high	22 Å²	22	63.3 Å²	63.3	15%	0.154	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-46.2	179.3	-162.5	0	0	0	0	111.5	A262 L263 C268 S269 G270 E282	A262-S266 PolarHBondContact O-N 2.94Å; L263-S266 PolarHBondContact O-N 2.7Å; L263-S266 VanDerWaalsContact O-N 3.13Å; S266-C268 PolarHBondContact O-N 3.4Å; S266-S269 WeakPolarHBondContact O-CB 3.46Å; S266-S269 PolarHBondContact O-N 2.93Å; S266-G270 PolarHBondContact O-N 2.99Å; S266-E282 PolarHBondContact OG-OE2 3.3Å
267	V	94.8	Very high	92.9	Very high	110 Å²	110	62.6 Å²	62.6	67%	0.667	32%	0.318	S	S	*	.	H	α-helix	trans	-62.5	-43.2	177.2	175	0	0	0	0	111.5	L263 K265 S269 G270 R271	L263-V267 WeakPolarHBondContact O-CG2 3.44Å; L263-V267 PolarHBondContact O-N 2.96Å; K265-V267 PolarHBondContact O-N 3.48Å; V267-S269 VanDerWaalsContact C-N 3.33Å; V267-S269 PolarHBondContact O-N 3.18Å; V267-G270 PolarHBondContact O-N 3.44Å; V267-R271 PolarHBondContact O-N 3.39Å
268	C	92.6	Very high	92.8	Very high	9 Å²	9	61.8 Å²	61.8	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-59.1	-44.4	174.7	-75.4	0	0	0	0	112	K264 K265 S266 G270 R271 E272	K264-C268 PolarHBondContact NZ-SG 3.37Å; K264-C268 PolarHBondContact O-N 2.83Å; K264-C268 PolarHBondContact O-SG 2.99Å; K264-C268 VanDerWaalsContact O-SG 3.34Å; K265-C268 PolarHBondContact O-N 2.91Å; S266-C268 PolarHBondContact O-N 3.4Å; C268-G270 PolarHBondContact O-N 3.32Å; C268-R271 PolarHBondContact O-N 3.36Å; C268-E272 PolarHBondContact O-N 2.99Å
269	S	90.7	Very high	92.9	Very high	6 Å²	6	61.4 Å²	61.4	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-61.3	-42.5	177.7	-66.5	0	0	0	0	112	H25 K265 S266 V267 R271 E272 L273 N281	H25-S269 PolarHBondContact CE1-OG 3.46Å; K265-S269 PolarHBondContact O-N 3.42Å; K265-S269 PolarHBondContact O-OG 3.47Å; K265-S269 VanDerWaalsContact O-OG 3.14Å; S266-S269 WeakPolarHBondContact O-CB 3.46Å; S266-S269 PolarHBondContact O-N 2.93Å; V267-S269 VanDerWaalsContact C-N 3.33Å; V267-S269 PolarHBondContact O-N 3.18Å; S269-R271 PolarHBondContact O-N 3.13Å; S269-E272 PolarHBondContact O-N 3.41Å; S269-L273 VanDerWaalsContact O-CB 3.28Å; S269-L273 WeakPolarHBondContact O-CB 3.31Å; S269-L273 WeakPolarHBondContact O-CG 3.26Å; S269-L273 PolarHBondContact O-N 3.45Å; S269-N281 WeakPolarHBondContact CB-OD1 3.45Å; S269-N281 VanDerWaalsContact OG-CG 3.25Å; S269-N281 PolarHBondContact OG-OD1 3.1Å
270	G	90.9	Very high	92.8	Very high	51 Å²	51	61.3 Å²	61.3	53%	0.526	31%	0.311	S	S	.	.	H	α-helix	trans	-61.8	-25.3	176.9	0	0	0	0	0	114.4	S266 V267 C268	S266-G270 PolarHBondContact O-N 2.99Å; V267-G270 PolarHBondContact O-N 3.44Å; C268-G270 PolarHBondContact O-N 3.32Å
271	R	88.6	Confident	92.6	Very high	106 Å²	106	62.2 Å²	62.2	40%	0.4	32%	0.316	S	S	.	.	H	α-helix	trans	-81.5	-33.8	175.1	-178.8	178.4	58.6	-159.9	-10.1	113	M144 V267 C268 S269	M144-R271 VanDerWaalsContact CE-NH2 3.25Å; M144-R271 VanDerWaalsContact CG-NH2 3.31Å; M144-R271 PolarHBondContact SD-NH2 3.05Å; V267-R271 PolarHBondContact O-N 3.39Å; C268-R271 PolarHBondContact O-N 3.36Å; S269-R271 PolarHBondContact O-N 3.13Å
272	E	88.1	Confident	92.6	Very high	51 Å²	51	65.4 Å²	65.4	24%	0.238	33%	0.333	C	S	.	.	H	α-helix	trans	-102	-17.3	-167.7	-63.9	-173.5	136	0	0	114	R145 C268 S269	R145-E272 IonicContact CZ-OE1 3.89Å; R145-E272 VanDerWaalsContact CZ-OE1 3.26Å; R145-E272 IonicContact CZ-OE2 3.26Å; R145-E272 VanDerWaalsContact NE-CD 3.28Å; R145-E272 IonicContact NE-OE1 3.69Å; R145-E272 PolarHBondContact NE-OE1 3.13Å; R145-E272 IonicContact NE-OE2 2.69Å; R145-E272 PolarHBondContact NE-OE2 2.61Å; R145-E272 IonicContact NH2-OE1 2.86Å; R145-E272 PolarHBondContact NH2-OE1 3.48Å; R145-E272 IonicContact NH2-OE2 3.37Å; R145-E272 PolarHBondContact NH2-OE2 3.06Å; C268-E272 PolarHBondContact O-N 2.99Å; S269-E272 PolarHBondContact O-N 3.41Å
273	L	88.2	Confident	92.7	Very high	21 Å²	21	71.6 Å²	71.6	11%	0.11	35%	0.353	C	S	.	.	S	Bend	trans	-112.2	162.2	-173.1	-59.7	-175.2	0	0	0	113.9	T21 L24 H25 S269 E277 A278 N281	T21-L273 HydrophobicContact CG2-CD2 3.94Å; L24-L273 HydrophobicContact CB-CD2 4.46Å; L24-L273 HydrophobicContact CD1-CD2 3.94Å; H25-L273 WeakPolarHBondContact CE1-CD1 3.37Å; H25-L273 WeakPolarHBondContact NE2-CD1 3.48Å; H25-L273 VanDerWaalsContact NE2-CD2 3.32Å; H25-L273 WeakPolarHBondContact NE2-CD2 3.41Å; S269-L273 VanDerWaalsContact O-CB 3.28Å; S269-L273 WeakPolarHBondContact O-CB 3.31Å; S269-L273 WeakPolarHBondContact O-CG 3.26Å; S269-L273 PolarHBondContact O-N 3.45Å; L273-E277 HydrophobicContact CB-CB 4.16Å; L273-E277 HydrophobicContact CD1-CB 3.86Å; L273-A278 HydrophobicContact CB-CB 4.15Å; L273-A278 HydrophobicContact CD1-CB 4.47Å; L273-N281 HydrophobicContact CD1-CB 4.48Å
274	Y	92.3	Very high	92.7	Very high	190 Å²	190	69.7 Å²	69.7	75%	0.745	34%	0.344	S	S	*	.			trans	-67.6	151.5	162.4	-64.9	-69.6	0	0	0	110.9	E276 E277 A278	Y274-E276 VanDerWaalsContact C-N 3.32Å; Y274-E276 PolarHBondContact O-N 3.24Å; Y274-E276 VanDerWaalsContact O-N 3.16Å; Y274-E277 PolarHBondContact O-N 3.06Å; Y274-A278 PolarHBondContact O-N 3.48Å
275	L	92.9	Very high	92.6	Very high	134 Å²	134	70.1 Å²	70.1	70%	0.702	35%	0.346	S	S	*	.	H	α-helix	trans	-50.2	-46.5	-171.3	-179.9	61.3	0	0	0	113.6	E277 A278 L279	L275-E277 PolarHBondContact O-N 3.24Å; L275-A278 PolarHBondContact O-N 2.92Å; L275-L279 HydrophobicContact CD1-CD1 4.09Å; L275-L279 HydrophobicContact CD1-CG 4.17Å; L275-L279 HydrophobicContact CG-CD1 4.05Å; L275-L279 WeakPolarHBondContact O-CB 3.36Å; L275-L279 VanDerWaalsContact O-CG 3.24Å; L275-L279 WeakPolarHBondContact O-CG 3.31Å; L275-L279 PolarHBondContact O-N 3.03Å
276	E	94.4	Very high	92.7	Very high	158 Å²	158	70.7 Å²	70.7	74%	0.738	35%	0.353	S	S	*	.	H	α-helix	trans	-65.3	-40.4	-178.1	-173.5	174.7	-173.1	0	0	112.6	Y274 L279 Q280	Y274-E276 VanDerWaalsContact C-N 3.32Å; Y274-E276 PolarHBondContact O-N 3.24Å; Y274-E276 VanDerWaalsContact O-N 3.16Å; E276-L279 PolarHBondContact O-N 3.27Å; E276-Q280 PolarHBondContact O-N 3.5Å
277	E	91	Very high	92.7	Very high	31 Å²	31	72.4 Å²	72.4	15%	0.145	37%	0.374	C	S	.	.	H	α-helix	trans	-69.6	-38.2	177.9	-57.8	175.2	133.3	0	0	110.6	L17 T21 L273 Y274 L275 Q280 N281	L17-E277 HydrophobicContact CD2-CG 3.72Å; L17-E277 VanDerWaalsContact CD2-OE1 3.31Å; L17-E277 WeakPolarHBondContact CD2-OE1 3.24Å; T21-E277 VanDerWaalsContact CB-OE1 3.24Å; T21-E277 WeakPolarHBondContact CB-OE1 3.49Å; T21-E277 HydrophobicContact CG2-CB 4.24Å; T21-E277 HydrophobicContact CG2-CG 4.09Å; T21-E277 WeakPolarHBondContact CG2-OE1 3.37Å; T21-E277 WeakPolarHBondContact CG2-OE2 3.36Å; T21-E277 PolarHBondContact OG1-OE1 3.1Å; L273-E277 HydrophobicContact CB-CB 4.16Å; L273-E277 HydrophobicContact CD1-CB 3.86Å; Y274-E277 PolarHBondContact O-N 3.06Å; L275-E277 PolarHBondContact O-N 3.24Å; E277-Q280 PolarHBondContact O-N 3.28Å; E277-N281 PolarHBondContact O-N 3.44Å
278	A	92.1	Very high	92.6	Very high	14 Å²	14	72 Å²	72	12%	0.116	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-45.5	175.3	0	0	0	0	0	111.2	L273 Y274 L275 Q280 N281 E282	L273-A278 HydrophobicContact CB-CB 4.15Å; L273-A278 HydrophobicContact CD1-CB 4.47Å; Y274-A278 PolarHBondContact O-N 3.48Å; L275-A278 PolarHBondContact O-N 2.92Å; A278-Q280 VanDerWaalsContact C-N 3.33Å; A278-Q280 PolarHBondContact O-N 3.01Å; A278-N281 PolarHBondContact O-N 3Å; A278-E282 PolarHBondContact O-N 3.48Å
279	L	94.7	Very high	92.8	Very high	78 Å²	78	72.8 Å²	72.8	41%	0.408	38%	0.376	S	S	.	.	H	α-helix	trans	-64.4	-36.8	176.2	-69.7	172.8	0	0	0	112.1	L275 E276 R283	L275-L279 HydrophobicContact CD1-CD1 4.09Å; L275-L279 HydrophobicContact CD1-CG 4.17Å; L275-L279 HydrophobicContact CG-CD1 4.05Å; L275-L279 WeakPolarHBondContact O-CB 3.36Å; L275-L279 VanDerWaalsContact O-CG 3.24Å; L275-L279 WeakPolarHBondContact O-CG 3.31Å; L275-L279 PolarHBondContact O-N 3.03Å; E276-L279 PolarHBondContact O-N 3.27Å; L279-R283 WeakPolarHBondContact O-CG 3.25Å; L279-R283 PolarHBondContact O-N 2.84Å; L279-R283 VanDerWaalsContact O-N 3.09Å
280	Q	93.8	Very high	93	Very high	45 Å²	45	81.2 Å²	81.2	21%	0.21	41%	0.407	C	S	.	.	H	α-helix	trans	-63.4	-47.3	172.6	179.7	60.9	48.9	0	0	111.2	E276 E277 A278 E282 R283 D284	E276-Q280 PolarHBondContact O-N 3.5Å; E277-Q280 PolarHBondContact O-N 3.28Å; A278-Q280 VanDerWaalsContact C-N 3.33Å; A278-Q280 PolarHBondContact O-N 3.01Å; Q280-E282 VanDerWaalsContact C-N 3.3Å; Q280-E282 PolarHBondContact O-N 3.36Å; Q280-R283 WeakPolarHBondContact O-CB 3.38Å; Q280-R283 PolarHBondContact O-N 3.47Å; Q280-D284 PolarHBondContact NE2-OD1 3.12Å; Q280-D284 PolarHBondContact NE2-OD2 3.33Å; Q280-D284 PolarHBondContact O-N 3.25Å
281	N	91.7	Very high	93.2	Very high	29 Å²	29	80.6 Å²	80.6	16%	0.155	40%	0.401	C	S	.	.	H	α-helix	trans	-60.5	-40.6	178.4	-171.1	-100.1	0	0	0	112	S269 L273 E277 A278 R283 D284 L285	S269-N281 WeakPolarHBondContact CB-OD1 3.45Å; S269-N281 VanDerWaalsContact OG-CG 3.25Å; S269-N281 PolarHBondContact OG-OD1 3.1Å; L273-N281 HydrophobicContact CD1-CB 4.48Å; E277-N281 PolarHBondContact O-N 3.44Å; A278-N281 PolarHBondContact O-N 3Å; N281-R283 PolarHBondContact O-N 3.22Å; N281-D284 PolarHBondContact O-N 3.4Å; N281-L285 WeakPolarHBondContact O-CB 3.34Å; N281-L285 VanDerWaalsContact O-CG 3.3Å; N281-L285 WeakPolarHBondContact O-CG 3.44Å; N281-L285 PolarHBondContact O-N 2.93Å; N281-L285 VanDerWaalsContact OD1-CD1 3.25Å; N281-L285 WeakPolarHBondContact OD1-CD1 3.49Å
282	E	94.3	Very high	93.5	Very high	104 Å²	104	76.4 Å²	76.4	49%	0.486	39%	0.39	S	S	.	.	H	α-helix	trans	-60.2	-44.2	174.9	-176.3	173.4	93.1	0	0	111.9	S266 A278 Q280 D284 L285 L286	S266-E282 PolarHBondContact OG-OE2 3.3Å; A278-E282 PolarHBondContact O-N 3.48Å; Q280-E282 VanDerWaalsContact C-N 3.3Å; Q280-E282 PolarHBondContact O-N 3.36Å; E282-D284 PolarHBondContact O-N 3.43Å; E282-L285 PolarHBondContact O-N 3.05Å; E282-L286 WeakPolarHBondContact O-CB 3.5Å; E282-L286 PolarHBondContact O-N 2.93Å
283	R	96.3	Very high	93.7	Very high	141 Å²	141	79.1 Å²	79.1	53%	0.532	41%	0.413	S	S	.	.	H	α-helix	trans	-60.8	-43.8	174.9	-72.6	-173	-65.3	-120	4.9	112.3	L279 Q280 N281 L286 G287	L279-R283 WeakPolarHBondContact O-CG 3.25Å; L279-R283 PolarHBondContact O-N 2.84Å; L279-R283 VanDerWaalsContact O-N 3.09Å; Q280-R283 WeakPolarHBondContact O-CB 3.38Å; Q280-R283 PolarHBondContact O-N 3.47Å; N281-R283 PolarHBondContact O-N 3.22Å; R283-L286 PolarHBondContact O-N 2.72Å; R283-G287 PolarHBondContact O-N 3.45Å
284	D	94.7	Very high	94	Very high	72 Å²	72	78.9 Å²	78.9	39%	0.385	41%	0.413	S	S	.	.	H	α-helix	trans	-64.8	-43.6	179.9	-66	-24.4	0	0	0	111	Q280 N281 E282 G287 T288	Q280-D284 PolarHBondContact NE2-OD1 3.12Å; Q280-D284 PolarHBondContact NE2-OD2 3.33Å; Q280-D284 PolarHBondContact O-N 3.25Å; N281-D284 PolarHBondContact O-N 3.4Å; E282-D284 PolarHBondContact O-N 3.43Å; D284-G287 PolarHBondContact O-N 3.2Å; D284-T288 WeakPolarHBondContact O-CG2 3.38Å; D284-T288 PolarHBondContact O-N 3.04Å
285	L	94.1	Very high	94.1	Very high	23 Å²	23	71.9 Å²	71.9	12%	0.12	39%	0.389	C	S	.	.	H	α-helix	trans	-62.8	-45.8	175.7	-72.7	169.9	0	0	0	111.6	A262 K265 N281 E282 G287 T288	A262-L285 HydrophobicContact CB-CD2 4.48Å; K265-L285 HydrophobicContact CB-CD1 3.77Å; K265-L285 HydrophobicContact CB-CD2 4.1Å; K265-L285 HydrophobicContact CD-CD2 4.01Å; N281-L285 WeakPolarHBondContact O-CB 3.34Å; N281-L285 VanDerWaalsContact O-CG 3.3Å; N281-L285 WeakPolarHBondContact O-CG 3.44Å; N281-L285 PolarHBondContact O-N 2.93Å; N281-L285 VanDerWaalsContact OD1-CD1 3.25Å; N281-L285 WeakPolarHBondContact OD1-CD1 3.49Å; E282-L285 PolarHBondContact O-N 3.05Å; L285-G287 PolarHBondContact O-N 3.41Å; L285-T288 WeakPolarHBondContact O-CB 3.36Å; L285-T288 PolarHBondContact O-N 2.89Å; L285-T288 PolarHBondContact O-OG1 3.22Å
286	L	95.9	Very high	94.2	Very high	89 Å²	89	70.4 Å²	70.4	47%	0.466	38%	0.381	S	S	.	.	H	α-helix	trans	-54.9	-42.8	174.2	179.2	65.7	0	0	0	111.1	E282 R283 T288 V289 W290	E282-L286 WeakPolarHBondContact O-CB 3.5Å; E282-L286 PolarHBondContact O-N 2.93Å; R283-L286 PolarHBondContact O-N 2.72Å; L286-T288 PolarHBondContact O-N 3.16Å; L286-T288 VanDerWaalsContact O-N 3.14Å; L286-V289 HydrophobicContact CD1-CG2 4.46Å; L286-V289 WeakPolarHBondContact O-CG2 3.34Å; L286-V289 PolarHBondContact O-N 3.41Å; L286-V289 VanDerWaalsContact O-N 3.08Å; L286-W290 HydrophobicContact CD1-CB 4.37Å; L286-W290 HydrophobicContact CD1-CE3 4.04Å; L286-W290 HydrophobicContact CG-CB 4.39Å; L286-W290 VanDerWaalsContact O-CB 3.29Å; L286-W290 WeakPolarHBondContact O-CB 3.04Å; L286-W290 PolarHBondContact O-N 2.87Å
287	G	95.4	Very high	94.1	Very high	58 Å²	58	67.7 Å²	67.7	60%	0.598	37%	0.368	S	S	*	.	H	α-helix	trans	-58.2	-24	177.2	0	0	0	0	0	114.5	R283 D284 L285	R283-G287 PolarHBondContact O-N 3.45Å; D284-G287 PolarHBondContact O-N 3.2Å; L285-G287 PolarHBondContact O-N 3.41Å
288	T	92.8	Very high	94.1	Very high	102 Å²	102	68.7 Å²	68.7	63%	0.626	38%	0.382	S	S	*	.	H	α-helix	trans	-81.8	-22.5	177.7	71.9	0	0	0	0	113.8	D284 L285 L286	D284-T288 WeakPolarHBondContact O-CG2 3.38Å; D284-T288 PolarHBondContact O-N 3.04Å; L285-T288 WeakPolarHBondContact O-CB 3.36Å; L285-T288 PolarHBondContact O-N 2.89Å; L285-T288 PolarHBondContact O-OG1 3.22Å; L286-T288 PolarHBondContact O-N 3.16Å; L286-T288 VanDerWaalsContact O-N 3.14Å
289	V	95.4	Very high	94.1	Very high	26 Å²	26	73.1 Å²	73.1	16%	0.158	40%	0.403	C	S	.	.	H	α-helix	trans	-112.3	-24.6	-175.8	-62	0	0	0	0	113.4	E258 V259 A262 L286 G291 G292 N295	E258-V289 HydrophobicContact CG-CG1 4.46Å; V259-V289 HydrophobicContact CG2-CB 4.43Å; V259-V289 HydrophobicContact CG2-CG1 4.25Å; A262-V289 HydrophobicContact CB-CG1 4.17Å; L286-V289 HydrophobicContact CD1-CG2 4.46Å; L286-V289 WeakPolarHBondContact O-CG2 3.34Å; L286-V289 PolarHBondContact O-N 3.41Å; L286-V289 VanDerWaalsContact O-N 3.08Å; V289-G291 PolarHBondContact O-N 2.74Å; V289-G292 PolarHBondContact O-N 2.8Å; V289-G292 VanDerWaalsContact O-N 3.08Å; V289-N295 WeakPolarHBondContact O-CB 3.44Å
290	W	95.6	Very high	93.9	Very high	183 Å²	183	73.4 Å²	73.4	69%	0.693	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	124.7	-179.4	-175.4	-87	0	0	0	111.6	L286 G292	L286-W290 HydrophobicContact CD1-CB 4.37Å; L286-W290 HydrophobicContact CD1-CE3 4.04Å; L286-W290 HydrophobicContact CG-CB 4.39Å; L286-W290 VanDerWaalsContact O-CB 3.29Å; L286-W290 WeakPolarHBondContact O-CB 3.04Å; L286-W290 PolarHBondContact O-N 2.87Å; W290-G292 PolarHBondContact O-N 3.35Å
291	G	94.6	Very high	93.5	Very high	37 Å²	37	78.5 Å²	78.5	38%	0.381	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	5.6	-174.2	0	0	0	0	0	114.6	V289 N295 L296	V289-G291 PolarHBondContact O-N 2.74Å; G291-N295 PolarHBondContact N-OD1 2.98Å; G291-L296 WeakPolarHBondContact O-CD1 3.42Å
292	G	94.4	Very high	92.3	Very high	18 Å²	18	82.4 Å²	82.4	19%	0.186	45%	0.454	C	S	.	.	S	Bend	trans	-71.4	171.4	172.1	0	0	0	0	0	112.8	V289 W290 A294 N295 L296	V289-G292 PolarHBondContact O-N 2.8Å; V289-G292 VanDerWaalsContact O-N 3.08Å; W290-G292 PolarHBondContact O-N 3.35Å; G292-A294 PolarHBondContact O-N 3.06Å; G292-N295 PolarHBondContact O-N 3.15Å; G292-L296 WeakPolarHBondContact O-CG 3.15Å; G292-L296 PolarHBondContact O-N 3.22Å
293	P	94	Very high	90.4	Very high	109 Å²	109	81.2 Å²	81.2	71%	0.708	47%	0.469	S	S	*	.	H	α-helix	trans	-52.7	-49.2	-175.6	-26.8	34.8	0	0	0	113.2	N295 L296 E297	P293-N295 VanDerWaalsContact C-N 3.34Å; P293-N295 PolarHBondContact O-N 3.12Å; P293-L296 PolarHBondContact O-N 2.87Å; P293-E297 WeakPolarHBondContact O-CB 3.37Å; P293-E297 PolarHBondContact O-N 3.14Å
294	A	93.5	Very high	88.3	Confident	15 Å²	15	82.8 Å²	82.8	12%	0.124	48%	0.48	C	S	.	.	H	α-helix	trans	-54.5	-45.3	175.1	0	0	0	0	0	113.7	P256 E258 V259 G292 A298	P256-A294 HydrophobicContact CB-CB 3.69Å; P256-A294 HydrophobicContact CG-CB 3.45Å; P256-A294 VanDerWaalsContact CG-CB 3.45Å; E258-A294 VanDerWaalsContact OE1-CB 3.23Å; E258-A294 WeakPolarHBondContact OE1-CB 3.46Å; V259-A294 HydrophobicContact CG2-CB 4.28Å; G292-A294 PolarHBondContact O-N 3.06Å; A294-A298 WeakPolarHBondContact O-CB 3.43Å; A294-A298 PolarHBondContact O-N 3.15Å
295	N	95	Very high	86.3	Confident	43 Å²	43	87.6 Å²	87.6	23%	0.23	50%	0.498	C	S	.	.	H	α-helix	trans	-68.9	-43.8	-178.8	177.7	-123.5	0	0	0	111.3	V289 G291 G292 P293 A298 I299	V289-N295 WeakPolarHBondContact O-CB 3.44Å; G291-N295 PolarHBondContact N-OD1 2.98Å; G292-N295 PolarHBondContact O-N 3.15Å; P293-N295 VanDerWaalsContact C-N 3.34Å; P293-N295 PolarHBondContact O-N 3.12Å; N295-A298 PolarHBondContact O-N 3.3Å; N295-I299 VanDerWaalsContact O-CG1 3.29Å; N295-I299 WeakPolarHBondContact O-CG1 3.43Å; N295-I299 PolarHBondContact O-N 2.94Å
296	L	94.3	Very high	84	Confident	103 Å²	103	93.3 Å²	93.3	54%	0.539	53%	0.529	S	S	.	.	H	α-helix	trans	-63.3	-42.1	177.2	-66.2	175.8	0	0	0	111.8	G291 G292 P293 I299 A300	G291-L296 WeakPolarHBondContact O-CD1 3.42Å; G292-L296 WeakPolarHBondContact O-CG 3.15Å; G292-L296 PolarHBondContact O-N 3.22Å; P293-L296 PolarHBondContact O-N 2.87Å; L296-I299 PolarHBondContact O-N 3.19Å; L296-A300 WeakPolarHBondContact O-CB 3.33Å; L296-A300 PolarHBondContact O-N 2.67Å
297	E	92.5	Very high	81.7	Confident	101 Å²	101	102.6 Å²	102.6	47%	0.472	57%	0.565	S	S	.	*	H	α-helix	trans	-62.4	-44	175.6	-170.7	-172.8	169	0	0	111.5	P293 I299 A300 K301	P293-E297 WeakPolarHBondContact O-CB 3.37Å; P293-E297 PolarHBondContact O-N 3.14Å; E297-I299 PolarHBondContact O-N 3.43Å; E297-A300 PolarHBondContact O-N 3.5Å; E297-K301 HydrophobicContact CG-CD 4.15Å; E297-K301 WeakPolarHBondContact O-CB 3.45Å; E297-K301 WeakPolarHBondContact O-CG 3.46Å; E297-K301 PolarHBondContact O-N 3.13Å; E297-K301 WeakPolarHBondContact OE1-CE 3.45Å; E297-K301 IonicContact OE1-NZ 3.4Å; E297-K301 PolarHBondContact OE1-NZ 3.15Å
298	A	91.4	Very high	81	Confident	53 Å²	53	104.8 Å²	104.8	44%	0.438	56%	0.563	S	S	.	*	H	α-helix	trans	-63	-41.5	177.6	0	0	0	0	0	112.5	A294 N295 K301 K302	A294-A298 WeakPolarHBondContact O-CB 3.43Å; A294-A298 PolarHBondContact O-N 3.15Å; N295-A298 PolarHBondContact O-N 3.3Å; A298-K301 PolarHBondContact O-N 2.97Å; A298-K302 PolarHBondContact O-N 3.05Å
299	I	91.8	Very high	80.3	Confident	106 Å²	106	104.9 Å²	104.9	54%	0.544	56%	0.56	S	S	.	*	H	α-helix	trans	-64.5	-43	175.7	-68.5	165.5	0	0	0	110.4	N295 L296 E297 K302	N295-I299 VanDerWaalsContact O-CG1 3.29Å; N295-I299 WeakPolarHBondContact O-CG1 3.43Å; N295-I299 PolarHBondContact O-N 2.94Å; L296-I299 PolarHBondContact O-N 3.19Å; E297-I299 PolarHBondContact O-N 3.43Å; I299-K302 CarbonylContact O-C 3.54Å; I299-K302 PolarHBondContact O-N 3.35Å
300	A	90	Very high	79.5	Confident	84 Å²	84	109.3 Å²	109.3	69%	0.694	58%	0.582	S	S	*	*	H	α-helix	trans	-65.9	-37.2	178.5	0	0	0	0	0	112.7	L296 E297 K302	L296-A300 WeakPolarHBondContact O-CB 3.33Å; L296-A300 PolarHBondContact O-N 2.67Å; E297-A300 PolarHBondContact O-N 3.5Å; A300-K302 VanDerWaalsContact C-N 3.29Å; A300-K302 PolarHBondContact O-N 3.36Å
301	K	85.1	Confident	78.6	Confident	153 Å²	153	105 Å²	105	67%	0.665	58%	0.576	S	S	*	*	H	α-helix	trans	-68.5	-23.8	176.8	-79.1	175	170.1	172.8	0	113.5	E297 A298	E297-K301 HydrophobicContact CG-CD 4.15Å; E297-K301 WeakPolarHBondContact O-CB 3.45Å; E297-K301 WeakPolarHBondContact O-CG 3.46Å; E297-K301 PolarHBondContact O-N 3.13Å; E297-K301 WeakPolarHBondContact OE1-CE 3.45Å; E297-K301 IonicContact OE1-NZ 3.4Å; E297-K301 PolarHBondContact OE1-NZ 3.15Å; A298-K301 PolarHBondContact O-N 2.97Å
302	K	66.5	Low	77.6	Confident	111 Å²	111	109.3 Å²	109.3	48%	0.483	59%	0.588	S	S	.	*			trans	-121.9	90.5	-176.6	-74.5	-172.4	176.8	179	0	112	A298 I299 A300 K304 F305	A298-K302 PolarHBondContact O-N 3.05Å; I299-K302 CarbonylContact O-C 3.54Å; I299-K302 PolarHBondContact O-N 3.35Å; A300-K302 VanDerWaalsContact C-N 3.29Å; A300-K302 PolarHBondContact O-N 3.36Å; K302-K304 PolarHBondContact O-N 3.02Å; K302-F305 HydrophobicContact CD-CD1 4.04Å; K302-F305 HydrophobicContact CD-CD2 4.31Å; K302-F305 HydrophobicContact CD-CE1 3.91Å; K302-F305 HydrophobicContact CD-CE2 4.17Å; K302-F305 HydrophobicContact CD-CG 4.24Å; K302-F305 HydrophobicContact CD-CZ 3.97Å
303	G	54.7	Low	76.4	Confident	79 Å²	79	115.3 Å²	115.3	81%	0.814	62%	0.615	S	S	*	*	S	Bend	trans	-63.8	86.3	148.2	0	0	0	0	0	109.6
304	K	52.8	Low	75.2	Confident	174 Å²	174	115.8 Å²	115.8	76%	0.757	61%	0.608	S	S	*	*	S	Bend	trans	68.4	128.6	179.9	-61.2	-179.6	176.8	179.6	0	115.5	K302 N306	K302-K304 PolarHBondContact O-N 3.02Å; K304-N306 PolarHBondContact O-N 3.24Å
305	F	53.2	Low	73.8	Confident	172 Å²	172	123.5 Å²	123.5	75%	0.754	65%	0.645	S	S	*	*			trans	-64	82.6	162.2	-72.1	-102.5	0	0	0	109	K302	K302-F305 HydrophobicContact CD-CD1 4.04Å; K302-F305 HydrophobicContact CD-CD2 4.31Å; K302-F305 HydrophobicContact CD-CE1 3.91Å; K302-F305 HydrophobicContact CD-CE2 4.17Å; K302-F305 HydrophobicContact CD-CG 4.24Å; K302-F305 HydrophobicContact CD-CZ 3.97Å
306	N	46	Very low	72	Confident	144 Å²	144	130.3 Å²	130.3	77%	0.77	68%	0.68	S	S	*	*			trans	-102.2	88.4	163.7	-78.4	0.1	0	0	0	107.7	K304	K304-N306 PolarHBondContact O-N 3.24Å
307	K	45.9	Very low	70	Confident	283 Å²	283	132.7 Å²	132.7	100%	1.23	69%	0.693	S	S	*	*			trans	-130.2	0	149.4	-87.5	-165.6	176.3	-173.9	0	106.8

Retrieved 307 of 307 residues in 125.7 ms (Link to these results)

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