A0A077ZDC5_TRITR Loading...

Phosphopantothenoylcysteine decarboxylase

AlphaFold DB , UniProt , Accession A0A077ZDC5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 233 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	32.5	Very low	241 Å²	241	145.4 Å²	145.4	100%	1.187	85%	0.845	S	S	*	*				0	128.3	0	-88.7	164.3	68.9	0	0	107.2
2	A	32.7	Very low	32.4	Very low	99 Å²	99	143.6 Å²	143.6	82%	0.818	84%	0.842	S	S	*	*			trans	-67.5	142.2	172.1	0	0	0	0	0	109.6
3	E	35.9	Very low	32.3	Very low	192 Å²	192	143.2 Å²	143.2	90%	0.897	84%	0.843	S	S	*	*			trans	-150.6	112.5	149.4	-112.1	168.7	-160	0	0	108.4
4	S	27.8	Very low	32.2	Very low	115 Å²	115	145.2 Å²	145.2	80%	0.804	85%	0.847	S	S	*	*			trans	-73.2	130	167.4	48.7	0	0	0	0	109.4
5	C	35.4	Very low	32.2	Very low	135 Å²	135	149.1 Å²	149.1	91%	0.912	85%	0.849	S	S	*	*			trans	-133.5	128.3	157.7	-106.2	0	0	0	0	109.6
6	S	31	Very low	32.2	Very low	100 Å²	100	154.4 Å²	154.4	70%	0.699	85%	0.851	S	S	*	*			trans	-79.2	150.3	-171.6	45	0	0	0	0	114
7	H	30.2	Very low	32.4	Very low	164 Å²	164	149.7 Å²	149.7	76%	0.759	83%	0.83	S	S	*	*			trans	35.7	118.3	142.8	-62.8	-71	0	0	0	119.9
8	D	33.9	Very low	32.7	Very low	161 Å²	161	146.6 Å²	146.6	86%	0.861	82%	0.819	S	S	*	*				-142.9	104.9	129.2	-136.7	-12.5	0	0	0	110.1
9	E	29.6	Very low	32.9	Very low	166 Å²	166	142.7 Å²	142.7	78%	0.776	81%	0.807	S	S	*	*			trans	-83.8	114.7	172.6	-77.3	-178.4	152.3	0	0	108.9
10	T	32.4	Very low	33	Very low	133 Å²	133	139.1 Å²	139.1	82%	0.816	80%	0.796	S	S	*	*			trans	-133.9	76.5	154.2	42.7	0	0	0	0	109.2
11	A	32.2	Very low	33.1	Very low	93 Å²	93	138.8 Å²	138.8	77%	0.769	79%	0.789	S	S	*	*			trans	-72.5	135.7	164.4	0	0	0	0	0	109.2	T13	A11-T13 PolarHBondContact O-N 3.22Å
12	P	31.6	Very low	32.6	Very low	124 Å²	124	133.3 Å²	133.3	81%	0.805	76%	0.761	S	S	*	*			trans	-68.3	132	-171.8	25.7	-32.7	0	0	0	111.7	L14	P12-L14 PolarHBondContact O-N 3.4Å; P12-L14 VanDerWaalsContact O-N 3.09Å
13	T	30.9	Very low	32.5	Very low	139 Å²	139	131.3 Å²	131.3	85%	0.853	75%	0.745	S	S	*	*			trans	-56	110.2	174.1	7	0	0	0	0	110.3	A11 K15	A11-T13 PolarHBondContact O-N 3.22Å; T13-K15 PolarHBondContact O-N 3.08Å
14	L	31	Very low	32.7	Very low	171 Å²	171	125.1 Å²	125.1	90%	0.895	73%	0.726	S	S	*	*			trans	-53	112.4	164.7	-82.1	150.6	0	0	0	108.2	P12 R16	P12-L14 PolarHBondContact O-N 3.4Å; P12-L14 VanDerWaalsContact O-N 3.09Å; L14-R16 PolarHBondContact O-N 3.26Å
15	K	31.5	Very low	33.2	Very low	203 Å²	203	125.2 Å²	125.2	88%	0.883	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-52.7	118	171.8	-82.7	-179.7	175.2	176.8	0	108.2	T13	T13-K15 PolarHBondContact O-N 3.08Å
16	R	32.5	Very low	33.4	Very low	234 Å²	234	121.7 Å²	121.7	88%	0.883	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-48.9	128.1	172.4	-126.1	178	177.4	-166.1	-2.4	108.7	L14 C18	L14-R16 PolarHBondContact O-N 3.26Å; R16-C18 PolarHBondContact O-N 3.22Å
17	P	34.9	Very low	34.2	Very low	75 Å²	75	121.3 Å²	121.3	49%	0.487	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-58	138.4	173.5	-18.3	30.1	0	0	0	109.4	A19	P17-A19 PolarHBondContact O-N 2.58Å
18	C	37.5	Very low	35.2	Very low	94 Å²	94	115.9 Å²	115.9	64%	0.635	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-57.9	134	-178.5	-170.3	0	0	0	0	109.9	R16 A20 M21	R16-C18 PolarHBondContact O-N 3.22Å; C18-A20 PolarHBondContact O-N 3.41Å; C18-M21 WeakPolarHBondContact O-CB 3.24Å; C18-M21 PolarHBondContact O-N 2.88Å
19	A	36.7	Very low	36	Very low	72 Å²	72	112.7 Å²	112.7	60%	0.595	64%	0.641	S	S	*	*	H	α-helix	trans	-51.8	-22.3	-178.1	0	0	0	0	0	114.2	P17 M21 E22 A23	P17-A19 PolarHBondContact O-N 2.58Å; A19-M21 VanDerWaalsContact C-N 3.33Å; A19-M21 PolarHBondContact O-N 2.94Å; A19-E22 PolarHBondContact O-N 3.26Å; A19-A23 WeakPolarHBondContact O-CB 3.45Å; A19-A23 PolarHBondContact O-N 2.64Å
20	A	36	Very low	37.3	Very low	71 Å²	71	111.4 Å²	111.4	59%	0.587	64%	0.635	S	S	*	*	H	α-helix	trans	-62.5	-34.8	172.4	0	0	0	0	0	113.4	C18 A24	C18-A20 PolarHBondContact O-N 3.41Å; A20-A24 VanDerWaalsContact O-CB 3.26Å; A20-A24 WeakPolarHBondContact O-CB 3.29Å; A20-A24 PolarHBondContact O-N 3.1Å
21	M	34.7	Very low	38.9	Very low	133 Å²	133	110.8 Å²	110.8	66%	0.655	62%	0.621	S	S	*	*	H	α-helix	trans	-69.8	-43.6	175	-103.2	175.5	70	0	0	111.4	C18 A19 A24 H25	C18-M21 WeakPolarHBondContact O-CB 3.24Å; C18-M21 PolarHBondContact O-N 2.88Å; A19-M21 VanDerWaalsContact C-N 3.33Å; A19-M21 PolarHBondContact O-N 2.94Å; M21-A24 PolarHBondContact O-N 3.5Å; M21-H25 VanDerWaalsContact O-CB 3.3Å; M21-H25 WeakPolarHBondContact O-CB 3.35Å; M21-H25 PolarHBondContact O-N 3.42Å
22	E	26	Very low	40.9	Very low	125 Å²	125	107.2 Å²	107.2	58%	0.584	59%	0.589	S	S	*	*	H	α-helix	trans	-64.5	-42.5	177.5	-72.9	178.6	171.3	0	0	111.5	A19 H25 S26	A19-E22 PolarHBondContact O-N 3.26Å; E22-H25 PolarHBondContact O-N 3.48Å; E22-S26 WeakPolarHBondContact O-CB 3.32Å; E22-S26 PolarHBondContact O-N 3.42Å
23	A	31.6	Very low	43.2	Very low	58 Å²	58	104.9 Å²	104.9	48%	0.479	57%	0.565	S	S	.	*	H	α-helix	trans	-66.4	-40.6	176.3	0	0	0	0	0	112.5	A19 H25 N27	A19-A23 WeakPolarHBondContact O-CB 3.45Å; A19-A23 PolarHBondContact O-N 2.64Å; A23-H25 VanDerWaalsContact C-N 3.33Å; A23-N27 WeakPolarHBondContact O-CB 3.39Å; A23-N27 PolarHBondContact O-N 3.4Å
24	A	40	Very low	45.7	Very low	62 Å²	62	100.7 Å²	100.7	51%	0.512	54%	0.541	S	S	.	.	H	α-helix	trans	-65.6	-36.8	174	0	0	0	0	0	111.9	A20 M21 S28	A20-A24 VanDerWaalsContact O-CB 3.26Å; A20-A24 WeakPolarHBondContact O-CB 3.29Å; A20-A24 PolarHBondContact O-N 3.1Å; M21-A24 PolarHBondContact O-N 3.5Å; A24-S28 VanDerWaalsContact O-CB 3.29Å; A24-S28 WeakPolarHBondContact O-CB 3.49Å; A24-S28 PolarHBondContact O-N 3.05Å; A24-S28 PolarHBondContact O-OG 3.35Å
25	H	38.1	Very low	48.3	Very low	116 Å²	116	94 Å²	94	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-70.8	-42.5	177	-144.3	67.1	0	0	0	112.2	M21 E22 A23 S28 Q29	M21-H25 VanDerWaalsContact O-CB 3.3Å; M21-H25 WeakPolarHBondContact O-CB 3.35Å; M21-H25 PolarHBondContact O-N 3.42Å; E22-H25 PolarHBondContact O-N 3.48Å; A23-H25 VanDerWaalsContact C-N 3.33Å; H25-S28 WeakPolarHBondContact CA-OG 3.3Å; H25-S28 PolarHBondContact O-N 2.93Å; H25-S28 PolarHBondContact O-OG 2.97Å; H25-Q29 WeakPolarHBondContact O-CB 3.42Å; H25-Q29 WeakPolarHBondContact O-CG 3.46Å; H25-Q29 PolarHBondContact O-N 3.39Å
26	S	39.7	Very low	50.9	Low	62 Å²	62	94.6 Å²	94.6	43%	0.434	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-45.6	175.1	131.2	0	0	0	0	111.5	E22 S28 Q29 E30	E22-S26 WeakPolarHBondContact O-CB 3.32Å; E22-S26 PolarHBondContact O-N 3.42Å; S26-S28 VanDerWaalsContact C-N 3.32Å; S26-S28 PolarHBondContact O-N 3.16Å; S26-Q29 PolarHBondContact O-N 3.15Å; S26-E30 PolarHBondContact O-N 3.05Å
27	N	47.1	Very low	53.5	Low	91 Å²	91	88 Å²	88	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-72.9	-25.3	-177.2	-153.2	3.2	0	0	0	112.4	A23 K31	A23-N27 WeakPolarHBondContact O-CB 3.39Å; A23-N27 PolarHBondContact O-N 3.4Å; N27-K31 WeakPolarHBondContact O-CG 3.38Å
28	S	51.7	Low	55.9	Low	50 Å²	50	89 Å²	89	35%	0.35	48%	0.479	S	S	.	.	H	α-helix	trans	-77.6	-40.6	170.3	50.5	0	0	0	0	112.1	A24 H25 S26 K31 I32	A24-S28 VanDerWaalsContact O-CB 3.29Å; A24-S28 WeakPolarHBondContact O-CB 3.49Å; A24-S28 PolarHBondContact O-N 3.05Å; A24-S28 PolarHBondContact O-OG 3.35Å; H25-S28 WeakPolarHBondContact CA-OG 3.3Å; H25-S28 PolarHBondContact O-N 2.93Å; H25-S28 PolarHBondContact O-OG 2.97Å; S26-S28 VanDerWaalsContact C-N 3.32Å; S26-S28 PolarHBondContact O-N 3.16Å; S28-K31 PolarHBondContact O-N 3.03Å; S28-I32 VanDerWaalsContact O-CG1 3.3Å; S28-I32 WeakPolarHBondContact O-CG1 3.49Å; S28-I32 PolarHBondContact O-N 3.5Å; S28-I32 VanDerWaalsContact O-N 3.13Å
29	Q	49.6	Very low	58.1	Low	95 Å²	95	89.2 Å²	89.2	44%	0.444	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-41.8	175.6	-76.3	-168.6	-0.4	0	0	113	H25 S26 K31 I32 Y33	H25-Q29 WeakPolarHBondContact O-CB 3.42Å; H25-Q29 WeakPolarHBondContact O-CG 3.46Å; H25-Q29 PolarHBondContact O-N 3.39Å; S26-Q29 PolarHBondContact O-N 3.15Å; Q29-K31 PolarHBondContact O-N 3.3Å; Q29-I32 PolarHBondContact O-N 3.47Å; Q29-I32 VanDerWaalsContact O-N 3.15Å; Q29-Y33 WeakPolarHBondContact O-CD2 3.48Å; Q29-Y33 PolarHBondContact O-N 2.97Å
30	E	57.3	Low	60.5	Low	138 Å²	138	88.4 Å²	88.4	65%	0.645	49%	0.487	S	S	*	.	H	α-helix	trans	-60.2	-35.2	175.5	-77.9	-175.1	-179.5	0	0	112.4	S26	S26-E30 PolarHBondContact O-N 3.05Å
31	K	66.2	Low	63.2	Low	121 Å²	121	85.4 Å²	85.4	53%	0.526	46%	0.461	S	S	.	.	H	α-helix	trans	-74.6	-27.2	177.3	-72.4	179.8	-176.3	-176.5	0	113.4	N27 S28 Q29 P96	N27-K31 WeakPolarHBondContact O-CG 3.38Å; S28-K31 PolarHBondContact O-N 3.03Å; Q29-K31 PolarHBondContact O-N 3.3Å; K31-P96 HydrophobicContact CB-CG 4.35Å
32	I	74.1	Confident	66.1	Low	17 Å²	17	79.4 Å²	79.4	9%	0.087	43%	0.432	C	S	.	.	H	α-helix	trans	-68.9	-40.6	-179.8	-72.2	166.6	0	0	0	110.8	S28 Q29 P96 Y98	S28-I32 VanDerWaalsContact O-CG1 3.3Å; S28-I32 WeakPolarHBondContact O-CG1 3.49Å; S28-I32 PolarHBondContact O-N 3.5Å; S28-I32 VanDerWaalsContact O-N 3.13Å; Q29-I32 PolarHBondContact O-N 3.47Å; Q29-I32 VanDerWaalsContact O-N 3.15Å; I32-P96 HydrophobicContact CG1-CB 4.4Å; I32-Y98 HydrophobicContact CB-CE1 4.39Å; I32-Y98 HydrophobicContact CG2-CD1 3.84Å; I32-Y98 HydrophobicContact CG2-CE1 3.62Å; I32-Y98 WeakPolarHBondContact O-CE1 3.48Å; I32-Y98 PolarHBondContact O-OH 3.37Å
33	Y	79.7	Confident	69.4	Low	76 Å²	76	73.6 Å²	73.6	30%	0.298	41%	0.405	S	S	.	.	S	Bend	trans	-92.9	4.3	-177.2	-54.6	-60	0	0	0	114.6	Q29 C106 I115	Q29-Y33 WeakPolarHBondContact O-CD2 3.48Å; Q29-Y33 PolarHBondContact O-N 2.97Å; Y33-C106 HydrophobicContact CD1-CB 3.86Å; Y33-C106 WeakPolarHBondContact CD1-SG 3.5Å; Y33-C106 HydrophobicContact CE1-CB 3.55Å; Y33-I115 HydrophobicContact CD1-CD1 4.15Å; Y33-I115 HydrophobicContact CE1-CD1 3.86Å
34	S	84.1	Confident	72.6	Confident	51 Å²	51	70.9 Å²	70.9	36%	0.357	38%	0.382	S	S	.	.			trans	-95.7	115.8	173.3	180	0	0	0	0	110.6	R77	S34-R77 VanDerWaalsContact O-CZ 3.23Å; S34-R77 PolarHBondContact O-NH1 2.96Å; S34-R77 PolarHBondContact O-NH2 2.88Å
35	F	85.9	Confident	75.4	Confident	31 Å²	31	67.9 Å²	67.9	14%	0.136	36%	0.357	C	S	.	.			trans	-105.5	16.9	179.9	-55.6	-78.2	0	0	0	113.6	K37 Y98 P113 I115 E118 L119	F35-K37 PolarHBondContact O-N 3.31Å; F35-Y98 AromaticContact CE1-CE1 3.96Å; F35-Y98 HydrophobicContact CE1-CE1 3.96Å; F35-Y98 HydrophobicContact CZ-CE1 4.35Å; F35-P113 HydrophobicContact CE2-CB 4.21Å; F35-P113 HydrophobicContact CE2-CG 4.48Å; F35-I115 HydrophobicContact CE1-CG2 4.46Å; F35-I115 HydrophobicContact CZ-CB 4.47Å; F35-I115 HydrophobicContact CZ-CG1 4.14Å; F35-I115 HydrophobicContact CZ-CG2 4.32Å; F35-E118 HydrophobicContact CB-CB 4.19Å; F35-E118 HydrophobicContact CD1-CB 3.52Å; F35-E118 HydrophobicContact CD2-CB 3.62Å; F35-E118 HydrophobicContact CD2-CG 3.81Å; F35-E118 HydrophobicContact CE1-CB 3.69Å; F35-E118 HydrophobicContact CE2-CB 3.79Å; F35-E118 HydrophobicContact CE2-CG 3.98Å; F35-E118 HydrophobicContact CG-CB 3.49Å; F35-E118 VanDerWaalsContact CG-CB 3.49Å; F35-E118 HydrophobicContact CG-CG 4.13Å; F35-E118 HydrophobicContact CZ-CB 3.82Å; F35-E118 HydrophobicContact CZ-CG 4.45Å; F35-L119 HydrophobicContact CE1-CD2 4.11Å; F35-L119 HydrophobicContact CE1-CG 4.31Å
36	R	85.3	Confident	78.2	Confident	214 Å²	214	62.5 Å²	62.5	81%	0.808	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-65.4	127.7	178.4	-69.7	-172.7	-178.7	-153	1.5	110.6
37	K	87.3	Confident	81	Confident	95 Å²	95	59.6 Å²	59.6	41%	0.413	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-75.8	135.1	167.3	-70.8	-170.8	170	-160.3	0	109.7	F35 R121 W122 D124	F35-K37 PolarHBondContact O-N 3.31Å; K37-R121 WeakPolarHBondContact CE-O 3.22Å; K37-R121 PolarHBondContact NZ-O 2.94Å; K37-W122 WeakPolarHBondContact CE-O 3.36Å; K37-W122 PolarHBondContact NZ-O 2.72Å; K37-D124 IonicContact NZ-OD1 3.65Å; K37-D124 PolarHBondContact NZ-OD1 3.49Å
38	I	85.5	Confident	83.5	Confident	96 Å²	96	55.2 Å²	55.2	49%	0.492	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-83.8	133.4	168.3	-57.5	173.8	0	0	0	106.9	T41 E75	I38-T41 HydrophobicContact CB-CG2 3.67Å; I38-T41 HydrophobicContact CG2-CG2 3.64Å; I38-T41 PolarHBondContact O-N 3.28Å; I38-T41 PolarHBondContact O-OG1 2.75Å; I38-E75 HydrophobicContact CD1-CG 4.39Å
39	A	84	Confident	85.7	Confident	99 Å²	99	52.9 Å²	52.9	82%	0.818	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	137.9	177.9	0	0	0	0	0	110.5	T41	A39-T41 VanDerWaalsContact C-N 3.31Å; A39-T41 PolarHBondContact O-N 3.14Å
40	G	87.1	Confident	87.9	Confident	56 Å²	56	49.4 Å²	49.4	58%	0.577	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	20.4	-179.7	0	0	0	0	0	114.5	F228	G40-F228 WeakPolarHBondContact O-CE1 3.18Å; G40-F228 WeakPolarHBondContact O-CZ 3.32Å
41	T	91.9	Very high	89.8	Confident	8 Å²	8	43.7 Å²	43.7	5%	0.049	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.3	171.7	68.5	0	0	0	0	111.2	I38 A39 N43 K73 E75	I38-T41 HydrophobicContact CB-CG2 3.67Å; I38-T41 HydrophobicContact CG2-CG2 3.64Å; I38-T41 PolarHBondContact O-N 3.28Å; I38-T41 PolarHBondContact O-OG1 2.75Å; A39-T41 VanDerWaalsContact C-N 3.31Å; A39-T41 PolarHBondContact O-N 3.14Å; T41-N43 PolarHBondContact O-ND2 2.99Å; T41-K73 CarbonylContact C-O 3.57Å; T41-K73 VanDerWaalsContact CA-O 3.3Å; T41-K73 WeakPolarHBondContact CA-O 3.3Å; T41-K73 HydrophobicContact CG2-CB 3.74Å; T41-K73 HydrophobicContact CG2-CD 4.27Å; T41-E75 HydrophobicContact CG2-CG 4.34Å
42	F	95	Very high	91.2	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.9	167.8	-174	-96.3	0	0	0	109.6	L44 K73 I74 E75 D124 A125 L223 V224 H227 F228	F42-L44 HydrophobicContact CD1-CB 4.3Å; F42-L44 HydrophobicContact CE1-CB 4.17Å; F42-L44 HydrophobicContact CE1-CD1 4.25Å; F42-K73 PolarHBondContact N-O 3.31Å; F42-I74 HydrophobicContact CD1-CD1 4.24Å; F42-I74 HydrophobicContact CD1-CG1 4.19Å; F42-I74 WeakPolarHBondContact O-CA 3.2Å; F42-I74 WeakPolarHBondContact O-CG1 3.2Å; F42-E75 PolarHBondContact O-N 3.38Å; F42-D124 HydrophobicContact CD2-CB 4.05Å; F42-D124 HydrophobicContact CE2-CB 3.89Å; F42-D124 HydrophobicContact CZ-CB 4.4Å; F42-A125 HydrophobicContact CE1-CB 4.07Å; F42-A125 HydrophobicContact CZ-CB 3.53Å; F42-L223 HydrophobicContact CZ-CB 4.34Å; F42-V224 HydrophobicContact CB-CG1 4.49Å; F42-V224 HydrophobicContact CD1-CG2 3.69Å; F42-V224 HydrophobicContact CE1-CG2 3.97Å; F42-V224 HydrophobicContact CG-CG2 4.17Å; F42-H227 HydrophobicContact CD2-CB 3.66Å; F42-H227 AromaticContact CD2-CD2 3.81Å; F42-H227 AromaticContact CD2-CG 3.5Å; F42-H227 VanDerWaalsContact CD2-CG 3.5Å; F42-H227 AromaticContact CD2-ND1 3.83Å; F42-H227 HydrophobicContact CE2-CB 3.81Å; F42-H227 AromaticContact CE2-CG 3.92Å; F42-F228 HydrophobicContact CB-CE2 4.04Å; F42-F228 HydrophobicContact CB-CZ 4.44Å
43	N	96.6	Very high	92.2	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	106.8	-176.7	-56.8	-74.6	0	0	0	109.8	T41 W122 D124 A125	T41-N43 PolarHBondContact O-ND2 2.99Å; N43-W122 HydrophobicContact CB-CD2 3.97Å; N43-W122 HydrophobicContact CB-CE3 4.08Å; N43-W122 HydrophobicContact CB-CH2 3.73Å; N43-W122 HydrophobicContact CB-CZ2 3.61Å; N43-W122 HydrophobicContact CB-CZ3 3.96Å; N43-W122 WeakPolarHBondContact CB-O 3.44Å; N43-W122 WeakPolarHBondContact OD1-CZ2 3.29Å; N43-W122 PolarHBondContact OD1-NE1 2.85Å; N43-D124 WeakPolarHBondContact CB-OD2 3.34Å; N43-D124 PolarHBondContact N-OD2 3.36Å; N43-D124 PolarHBondContact ND2-OD2 3.46Å; N43-D124 PolarHBondContact O-N 2.85Å; N43-A125 PolarHBondContact O-N 3.41Å
44	L	97.9	Very high	93.1	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125	-179.7	-179.4	69.1	0	0	0	110.9	F42 I46 I64 I74 E75 I76 R77 A125 V127 V220	F42-L44 HydrophobicContact CD1-CB 4.3Å; F42-L44 HydrophobicContact CE1-CB 4.17Å; F42-L44 HydrophobicContact CE1-CD1 4.25Å; L44-I46 HydrophobicContact CD2-CD1 4.15Å; L44-I46 HydrophobicContact CD2-CG1 4.03Å; L44-I46 HydrophobicContact CG-CG1 4.13Å; L44-I64 HydrophobicContact CD2-CD1 4.09Å; L44-I64 HydrophobicContact CD2-CG2 4.3Å; L44-I74 HydrophobicContact CB-CD1 4.04Å; L44-I74 HydrophobicContact CB-CG1 4.33Å; L44-I74 HydrophobicContact CD2-CD1 4.04Å; L44-E75 PolarHBondContact N-O 3.34Å; L44-I76 HydrophobicContact CB-CG1 4.42Å; L44-I76 HydrophobicContact CD2-CG1 4.46Å; L44-I76 WeakPolarHBondContact O-CA 3.34Å; L44-R77 PolarHBondContact O-N 2.92Å; L44-A125 HydrophobicContact CD1-CB 4.24Å; L44-V127 HydrophobicContact CD1-CG2 3.91Å; L44-V220 HydrophobicContact CD2-CG1 3.64Å; L44-V220 HydrophobicContact CD2-CG2 4.41Å
45	L	98.5	Very high	93.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123	170.3	-165.6	67.1	0	0	0	110.4	R77 V79 L119 W122 A123 A125 M126 V127 V151 W155	L45-R77 CarbonylContact C-O 3.49Å; L45-R77 WeakPolarHBondContact CA-O 3.39Å; L45-R77 HydrophobicContact CD1-CB 3.84Å; L45-V79 HydrophobicContact CD1-CG2 3.74Å; L45-V79 HydrophobicContact CD2-CG2 4.04Å; L45-V79 HydrophobicContact CG-CG2 4.02Å; L45-L119 HydrophobicContact CD1-CD2 4.08Å; L45-L119 HydrophobicContact CD2-CB 4.15Å; L45-W122 HydrophobicContact CB-CZ3 4.42Å; L45-W122 HydrophobicContact CD1-CZ3 4.33Å; L45-A123 HydrophobicContact CB-CB 3.8Å; L45-A123 HydrophobicContact CD2-CB 4.48Å; L45-A125 PolarHBondContact N-O 2.81Å; L45-M126 HydrophobicContact CB-CB 4.41Å; L45-M126 HydrophobicContact CB-CG 4.34Å; L45-M126 HydrophobicContact CD2-CE 4.13Å; L45-M126 HydrophobicContact CD2-SD 4.34Å; L45-M126 CarbonylContact O-C 3.6Å; L45-M126 WeakPolarHBondContact O-CA 3.44Å; L45-M126 WeakPolarHBondContact O-CG 3.22Å; L45-V127 PolarHBondContact O-N 2.8Å; L45-V151 HydrophobicContact CD2-CG1 3.77Å; L45-W155 HydrophobicContact CD2-CZ3 4.37Å
46	I	98.6	Very high	94.2	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.3	176	-59.7	178.2	0	0	0	108.7	L44 V61 I64 I76 R77 I78 V79 V127	L44-I46 HydrophobicContact CD2-CD1 4.15Å; L44-I46 HydrophobicContact CD2-CG1 4.03Å; L44-I46 HydrophobicContact CG-CG1 4.13Å; I46-V61 HydrophobicContact CD1-CG2 3.95Å; I46-I64 HydrophobicContact CD1-CD1 4.07Å; I46-I76 HydrophobicContact CD1-CG2 3.63Å; I46-I76 HydrophobicContact CG1-CG2 4.08Å; I46-R77 PolarHBondContact N-O 2.73Å; I46-I78 HydrophobicContact CB-CG1 4.36Å; I46-I78 CarbonylContact O-C 3.56Å; I46-I78 WeakPolarHBondContact O-CA 3.22Å; I46-V79 PolarHBondContact O-N 3.29Å; I46-V127 CarbonylContact C-O 3.59Å; I46-V127 VanDerWaalsContact CA-O 3.3Å; I46-V127 WeakPolarHBondContact CA-O 3.49Å
47	G	98.6	Very high	94.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.7	169.6	0	0	0	0	0	110.7	V79 V127 L128 A129	G47-V79 CarbonylContact C-O 3.53Å; G47-V79 VanDerWaalsContact CA-O 3.28Å; G47-V79 WeakPolarHBondContact CA-O 3.44Å; G47-V127 PolarHBondContact N-O 2.83Å; G47-L128 CarbonylContact O-C 3.5Å; G47-L128 VanDerWaalsContact O-CA 3.3Å; G47-L128 WeakPolarHBondContact O-CA 3.37Å; G47-A129 PolarHBondContact O-N 2.72Å
48	C	98.3	Very high	95.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.7	172.8	59.6	0	0	0	0	111.8	V57 V79 A80 T81 S84	C48-V57 HydrophobicContact CB-CG2 3.73Å; C48-V79 PolarHBondContact N-O 3.27Å; C48-A80 VanDerWaalsContact SG-CB 3.51Å; C48-T81 PolarHBondContact O-N 3.38Å; C48-T81 VanDerWaalsContact O-N 3.08Å; C48-S84 PolarHBondContact O-OG 3.32Å; C48-S84 PolarHBondContact SG-OG 2.7Å
49	T	98.4	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.184	C	C	.	.			trans	-124.6	179.6	-171.8	62.2	0	0	0	0	111.8	S51 S54 T81 S84 P130 L131 D132 S135 L148	T49-S51 VanDerWaalsContact C-N 3.27Å; T49-S51 PolarHBondContact O-N 3.47Å; T49-S54 PolarHBondContact O-OG 2.81Å; T49-T81 HydrophobicContact CG2-CG2 4.22Å; T49-S84 VanDerWaalsContact C-CB 3.48Å; T49-S84 WeakPolarHBondContact O-CA 3.48Å; T49-S84 WeakPolarHBondContact O-CB 3.44Å; T49-P130 PolarHBondContact N-O 3.03Å; T49-P130 VanDerWaalsContact N-O 3.14Å; T49-P130 PolarHBondContact OG1-O 2.86Å; T49-L131 HydrophobicContact CG2-CD1 4.12Å; T49-L131 VanDerWaalsContact OG1-CA 3.29Å; T49-L131 WeakPolarHBondContact OG1-CA 3.4Å; T49-D132 PolarHBondContact OG1-N 2.92Å; T49-S135 WeakPolarHBondContact CG2-OG 3.2Å; T49-L148 HydrophobicContact CG2-CD1 3.81Å; T49-L148 HydrophobicContact CG2-CD2 4.21Å
50	G	96.5	Very high	96.4	Very high	22 Å²	22	23.8 Å²	23.8	23%	0.227	15%	0.146	C	C	.	.	S	Bend	trans	-76.9	62.5	-168.3	0	0	0	0	0	114.7	D132	G50-D132 VanDerWaalsContact CA-OD2 3.22Å; G50-D132 WeakPolarHBondContact CA-OD2 3.3Å; G50-D132 PolarHBondContact N-OD2 2.85Å
51	S	96	Very high	96.9	Very high	18 Å²	18	21.2 Å²	21.2	13%	0.126	12%	0.118	C	C	.	.	S	Bend	trans	-120.9	148.8	173.6	-176.7	0	0	0	0	110.9	T49 A53 S54 F87 A166	T49-S51 VanDerWaalsContact C-N 3.27Å; T49-S51 PolarHBondContact O-N 3.47Å; S51-A53 PolarHBondContact O-N 2.8Å; S51-A53 VanDerWaalsContact O-N 3.09Å; S51-A53 PolarHBondContact OG-N 3.38Å; S51-S54 WeakPolarHBondContact O-CB 3.34Å; S51-S54 PolarHBondContact O-N 3.37Å; S51-S54 PolarHBondContact O-OG 2.88Å; S51-F87 VanDerWaalsContact O-CD2 3.23Å; S51-F87 WeakPolarHBondContact O-CD2 3.24Å; S51-A166 WeakPolarHBondContact OG-CB 3.45Å; S51-A166 PolarHBondContact OG-O 3.14Å; S51-A166 VanDerWaalsContact OG-O 3.14Å
52	V	95.4	Very high	97	Very high	74 Å²	74	25 Å²	25	45%	0.448	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-55.6	-28.5	173	178.3	0	0	0	0	111.3	S54 I55 F87 A201	V52-S54 PolarHBondContact O-N 2.85Å; V52-I55 VanDerWaalsContact O-CG2 3.24Å; V52-I55 WeakPolarHBondContact O-CG2 3.45Å; V52-I55 PolarHBondContact O-N 2.94Å; V52-I55 VanDerWaalsContact O-N 3.16Å; V52-F87 HydrophobicContact CB-CD1 4.48Å; V52-F87 HydrophobicContact CB-CE1 4.4Å; V52-F87 HydrophobicContact CG2-CD1 4.26Å; V52-F87 HydrophobicContact CG2-CE1 3.75Å; V52-F87 HydrophobicContact CG2-CZ 4.31Å; V52-A201 HydrophobicContact CB-CB 4.4Å; V52-A201 HydrophobicContact CG1-CB 4Å; V52-A201 HydrophobicContact CG2-CB 4.34Å
53	A	96.5	Very high	97.1	Very high	20 Å²	20	29 Å²	29	17%	0.165	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-58.4	-17.5	174.1	0	0	0	0	0	113.7	S51 I55 K56 P130 A166 M210	S51-A53 PolarHBondContact O-N 2.8Å; S51-A53 VanDerWaalsContact O-N 3.09Å; S51-A53 PolarHBondContact OG-N 3.38Å; A53-I55 PolarHBondContact O-N 3.45Å; A53-I55 VanDerWaalsContact O-N 3.17Å; A53-K56 WeakPolarHBondContact O-CB 3.47Å; A53-K56 PolarHBondContact O-N 3Å; A53-P130 HydrophobicContact CB-CB 3.94Å; A53-P130 HydrophobicContact CB-CG 4.08Å; A53-A166 HydrophobicContact CB-CB 3.88Å; A53-M210 HydrophobicContact CB-CB 3.87Å; A53-M210 HydrophobicContact CB-CE 4.18Å; A53-M210 HydrophobicContact CB-SD 4.12Å
54	S	97.2	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-62.1	-19.9	175.8	-70.5	0	0	0	0	113.2	T49 S51 V52 K56 V57 F88 P130	T49-S54 PolarHBondContact O-OG 2.81Å; S51-S54 WeakPolarHBondContact O-CB 3.34Å; S51-S54 PolarHBondContact O-N 3.37Å; S51-S54 PolarHBondContact O-OG 2.88Å; V52-S54 PolarHBondContact O-N 2.85Å; S54-K56 PolarHBondContact O-N 2.85Å; S54-V57 WeakPolarHBondContact O-CB 3.34Å; S54-V57 VanDerWaalsContact O-CG2 3.3Å; S54-V57 WeakPolarHBondContact O-CG2 3.14Å; S54-V57 PolarHBondContact O-N 3.28Å; S54-F88 WeakPolarHBondContact O-CD1 3.3Å; S54-P130 WeakPolarHBondContact OG-CD 3.09Å; S54-P130 WeakPolarHBondContact OG-CG 3.11Å
55	I	96.7	Very high	96.9	Very high	105 Å²	105	32.2 Å²	32.2	54%	0.538	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-55.4	-23.1	169.3	-162.1	171.6	0	0	0	112.9	V52 A53	V52-I55 VanDerWaalsContact O-CG2 3.24Å; V52-I55 WeakPolarHBondContact O-CG2 3.45Å; V52-I55 PolarHBondContact O-N 2.94Å; V52-I55 VanDerWaalsContact O-N 3.16Å; A53-I55 PolarHBondContact O-N 3.45Å; A53-I55 VanDerWaalsContact O-N 3.17Å
56	K	96.7	Very high	96.6	Very high	88 Å²	88	37.9 Å²	37.9	38%	0.383	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-88.7	-3.8	179.3	-63.5	-62.5	-170.7	177.3	0	114.1	A53 S54 E59 I60 M210 V213	A53-K56 WeakPolarHBondContact O-CB 3.47Å; A53-K56 PolarHBondContact O-N 3Å; S54-K56 PolarHBondContact O-N 2.85Å; K56-E59 WeakPolarHBondContact CD-OE2 2.93Å; K56-E59 WeakPolarHBondContact CE-OE2 3.2Å; K56-E59 IonicContact NZ-OE2 2.65Å; K56-E59 PolarHBondContact NZ-OE2 3.06Å; K56-E59 PolarHBondContact O-N 3.12Å; K56-I60 HydrophobicContact CB-CD1 4.45Å; K56-I60 VanDerWaalsContact O-CG1 3.31Å; K56-I60 WeakPolarHBondContact O-CG1 3.34Å; K56-I60 PolarHBondContact O-N 3Å; K56-M210 HydrophobicContact CB-CE 4.07Å; K56-V213 HydrophobicContact CB-CG2 4.17Å; K56-V213 HydrophobicContact CD-CG2 4.38Å
57	V	97.8	Very high	96.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-58.2	-47.2	180	170.7	0	0	0	0	112.1	C48 S54 E59 I60 V61 I78 F88 L93	C48-V57 HydrophobicContact CB-CG2 3.73Å; S54-V57 WeakPolarHBondContact O-CB 3.34Å; S54-V57 VanDerWaalsContact O-CG2 3.3Å; S54-V57 WeakPolarHBondContact O-CG2 3.14Å; S54-V57 PolarHBondContact O-N 3.28Å; V57-E59 PolarHBondContact O-N 3.28Å; V57-I60 PolarHBondContact O-N 3.27Å; V57-V61 HydrophobicContact CG1-CG2 4.5Å; V57-V61 WeakPolarHBondContact O-CG2 3.42Å; V57-V61 PolarHBondContact O-N 3.39Å; V57-I78 HydrophobicContact CG1-CD1 4Å; V57-F88 HydrophobicContact CB-CD1 4.37Å; V57-F88 HydrophobicContact CB-CE1 4.18Å; V57-F88 HydrophobicContact CB-CZ 4.34Å; V57-F88 HydrophobicContact CG1-CE1 4.45Å; V57-F88 HydrophobicContact CG1-CE2 4.42Å; V57-F88 HydrophobicContact CG1-CZ 4.14Å; V57-F88 HydrophobicContact CG2-CE1 4.24Å; V57-L93 HydrophobicContact CG1-CD1 4.29Å
58	P	96.7	Very high	95.6	Very high	16 Å²	16	41 Å²	41	10%	0.104	22%	0.218	C	C	.	.	H	α-helix	trans	-56.2	-46.8	174.6	-25.9	35.8	0	0	0	113.3	I60 V61 D62 F88 L93	P58-I60 VanDerWaalsContact C-N 3.33Å; P58-I60 PolarHBondContact O-N 3.02Å; P58-V61 PolarHBondContact O-N 2.97Å; P58-D62 PolarHBondContact O-N 2.9Å; P58-F88 HydrophobicContact CG-CB 4.22Å; P58-F88 HydrophobicContact CG-CD2 4.09Å; P58-F88 HydrophobicContact CG-CG 4.39Å; P58-L93 HydrophobicContact CB-CD2 4.25Å; P58-L93 HydrophobicContact CB-CG 4.39Å; P58-L93 HydrophobicContact CG-CD1 4.37Å; P58-L93 HydrophobicContact CG-CG 4.27Å
59	E	96.6	Very high	94.6	Very high	77 Å²	77	45.7 Å²	45.7	36%	0.36	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-40.1	178.3	-167	-171.2	147	0	0	112.2	K56 V57 K63 V213	K56-E59 WeakPolarHBondContact CD-OE2 2.93Å; K56-E59 WeakPolarHBondContact CE-OE2 3.2Å; K56-E59 IonicContact NZ-OE2 2.65Å; K56-E59 PolarHBondContact NZ-OE2 3.06Å; K56-E59 PolarHBondContact O-N 3.12Å; V57-E59 PolarHBondContact O-N 3.28Å; E59-K63 VanDerWaalsContact O-CB 3.31Å; E59-K63 WeakPolarHBondContact O-CB 3.3Å; E59-K63 VanDerWaalsContact O-CG 3.32Å; E59-K63 WeakPolarHBondContact O-CG 3.35Å; E59-K63 PolarHBondContact O-N 3.22Å; E59-V213 HydrophobicContact CG-CG1 4.19Å; E59-V213 HydrophobicContact CG-CG2 4.39Å
60	I	97.6	Very high	93.7	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-48.3	175.9	-70.3	163.5	0	0	0	110.6	K56 V57 P58 K63 I64 A129 M210 V213 I216	K56-I60 HydrophobicContact CB-CD1 4.45Å; K56-I60 VanDerWaalsContact O-CG1 3.31Å; K56-I60 WeakPolarHBondContact O-CG1 3.34Å; K56-I60 PolarHBondContact O-N 3Å; V57-I60 PolarHBondContact O-N 3.27Å; P58-I60 VanDerWaalsContact C-N 3.33Å; P58-I60 PolarHBondContact O-N 3.02Å; I60-K63 PolarHBondContact O-N 2.81Å; I60-I64 HydrophobicContact CG2-CD1 3.58Å; I60-I64 HydrophobicContact CG2-CG1 4.35Å; I60-I64 WeakPolarHBondContact O-CB 3.37Å; I60-I64 WeakPolarHBondContact O-CG1 3.4Å; I60-I64 PolarHBondContact O-N 3.17Å; I60-A129 HydrophobicContact CD1-CB 4.33Å; I60-M210 HydrophobicContact CD1-CE 3.82Å; I60-V213 HydrophobicContact CG1-CB 4.32Å; I60-V213 HydrophobicContact CG1-CG1 3.89Å; I60-V213 HydrophobicContact CG1-CG2 3.91Å; I60-I216 HydrophobicContact CD1-CD1 3.88Å; I60-I216 HydrophobicContact CG1-CD1 4.48Å; I60-I216 HydrophobicContact CG2-CG2 4.17Å
61	V	96.7	Very high	92.7	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-62.2	-46.5	-179.3	174.1	0	0	0	0	111.2	I46 V57 P58 K63 I64 K65 I76 I78 L93 V95	I46-V61 HydrophobicContact CD1-CG2 3.95Å; V57-V61 HydrophobicContact CG1-CG2 4.5Å; V57-V61 WeakPolarHBondContact O-CG2 3.42Å; V57-V61 PolarHBondContact O-N 3.39Å; P58-V61 PolarHBondContact O-N 2.97Å; V61-K63 PolarHBondContact O-N 3.18Å; V61-I64 PolarHBondContact O-N 3.28Å; V61-K65 HydrophobicContact CG1-CD 4.34Å; V61-K65 WeakPolarHBondContact O-CG 3.32Å; V61-K65 PolarHBondContact O-N 3.07Å; V61-I76 HydrophobicContact CG1-CD1 4.26Å; V61-I78 HydrophobicContact CG2-CD1 3.83Å; V61-L93 HydrophobicContact CB-CD2 3.78Å; V61-L93 HydrophobicContact CG1-CD2 4Å; V61-L93 HydrophobicContact CG2-CD2 3.79Å; V61-V95 HydrophobicContact CG1-CG1 3.95Å; V61-V95 HydrophobicContact CG1-CG2 4.26Å
62	D	95.1	Very high	92	Very high	88 Å²	88	54.8 Å²	54.8	47%	0.471	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-44.5	-179.8	-70.3	-20.3	0	0	0	111.3	P58 K65 E66	P58-D62 PolarHBondContact O-N 2.9Å; D62-K65 PolarHBondContact O-N 3.42Å; D62-E66 WeakPolarHBondContact O-CB 3.3Å; D62-E66 PolarHBondContact O-N 3.38Å
63	K	96.2	Very high	91.8	Very high	92 Å²	92	57.9 Å²	57.9	40%	0.4	32%	0.324	S	S	.	.	H	α-helix	trans	-69.1	-34.5	179.6	-74.4	-73.5	168.8	-158.1	0	113.6	E59 I60 V61 E66 S67 V213 V217	E59-K63 VanDerWaalsContact O-CB 3.31Å; E59-K63 WeakPolarHBondContact O-CB 3.3Å; E59-K63 VanDerWaalsContact O-CG 3.32Å; E59-K63 WeakPolarHBondContact O-CG 3.35Å; E59-K63 PolarHBondContact O-N 3.22Å; I60-K63 PolarHBondContact O-N 2.81Å; V61-K63 PolarHBondContact O-N 3.18Å; K63-E66 WeakPolarHBondContact CD-OE2 3.5Å; K63-E66 WeakPolarHBondContact CE-OE2 3.44Å; K63-E66 IonicContact NZ-OE1 2.69Å; K63-E66 IonicContact NZ-OE2 3.53Å; K63-E66 PolarHBondContact NZ-OE2 3.08Å; K63-S67 WeakPolarHBondContact O-CB 3.4Å; K63-S67 PolarHBondContact O-N 3.19Å; K63-V213 HydrophobicContact CB-CG1 4.3Å; K63-V213 HydrophobicContact CG-CG1 4.26Å; K63-V217 HydrophobicContact CB-CG1 4.44Å; K63-V217 HydrophobicContact CB-CG2 3.53Å
64	I	96.2	Very high	91.7	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-46.1	173.1	-70.1	167.4	0	0	0	110.1	L44 I46 I60 V61 S67 C68 I74 I76 V217 V220	L44-I64 HydrophobicContact CD2-CD1 4.09Å; L44-I64 HydrophobicContact CD2-CG2 4.3Å; I46-I64 HydrophobicContact CD1-CD1 4.07Å; I60-I64 HydrophobicContact CG2-CD1 3.58Å; I60-I64 HydrophobicContact CG2-CG1 4.35Å; I60-I64 WeakPolarHBondContact O-CB 3.37Å; I60-I64 WeakPolarHBondContact O-CG1 3.4Å; I60-I64 PolarHBondContact O-N 3.17Å; V61-I64 PolarHBondContact O-N 3.28Å; I64-S67 PolarHBondContact O-N 3.23Å; I64-S67 PolarHBondContact O-OG 2.69Å; I64-C68 PolarHBondContact O-N 3.2Å; I64-C68 PolarHBondContact O-SG 3.3Å; I64-I74 HydrophobicContact CG2-CD1 3.59Å; I64-I76 HydrophobicContact CB-CD1 4.12Å; I64-I76 HydrophobicContact CG2-CD1 3.69Å; I64-V217 HydrophobicContact CG1-CG2 3.98Å; I64-V220 HydrophobicContact CD1-CB 4.33Å; I64-V220 HydrophobicContact CD1-CG1 4.12Å; I64-V220 HydrophobicContact CD1-CG2 4.15Å; I64-V220 HydrophobicContact CG1-CB 4.36Å; I64-V220 HydrophobicContact CG1-CG1 4.19Å; I64-V220 HydrophobicContact CG2-CG1 3.82Å
65	K	94	Very high	91.6	Very high	69 Å²	69	61.8 Å²	61.8	30%	0.3	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-46.7	177.3	-74.6	-178.9	174.4	-175.2	0	111.3	V61 D62 S67 C68 S69 I76 N94 V95	V61-K65 HydrophobicContact CG1-CD 4.34Å; V61-K65 WeakPolarHBondContact O-CG 3.32Å; V61-K65 PolarHBondContact O-N 3.07Å; D62-K65 PolarHBondContact O-N 3.42Å; K65-S67 VanDerWaalsContact C-N 3.34Å; K65-S67 PolarHBondContact O-N 2.97Å; K65-C68 CarbonylContact O-C 3.52Å; K65-C68 PolarHBondContact O-N 2.77Å; K65-S69 PolarHBondContact O-N 2.79Å; K65-S69 PolarHBondContact O-OG 3.35Å; K65-I76 HydrophobicContact CG-CD1 3.89Å; K65-N94 PolarHBondContact NZ-O 3.33Å; K65-V95 VanDerWaalsContact CE-CG1 3.45Å
66	E	93	Very high	91.5	Very high	119 Å²	119	57 Å²	57	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-56.1	-48.2	177.1	-172.3	-176	168.9	0	0	111	D62 K63 C68 S69	D62-E66 WeakPolarHBondContact O-CB 3.3Å; D62-E66 PolarHBondContact O-N 3.38Å; K63-E66 WeakPolarHBondContact CD-OE2 3.5Å; K63-E66 WeakPolarHBondContact CE-OE2 3.44Å; K63-E66 IonicContact NZ-OE1 2.69Å; K63-E66 IonicContact NZ-OE2 3.53Å; K63-E66 PolarHBondContact NZ-OE2 3.08Å; E66-C68 PolarHBondContact O-N 3.46Å; E66-S69 WeakPolarHBondContact CA-OG 3.44Å; E66-S69 WeakPolarHBondContact O-CB 3.28Å; E66-S69 PolarHBondContact O-N 3.07Å; E66-S69 PolarHBondContact O-OG 3.06Å
67	S	91.1	Very high	91.6	Very high	64 Å²	64	53.8 Å²	53.8	45%	0.448	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-21.6	-178.4	87.7	0	0	0	0	114.2	K63 I64 K65	K63-S67 WeakPolarHBondContact O-CB 3.4Å; K63-S67 PolarHBondContact O-N 3.19Å; I64-S67 PolarHBondContact O-N 3.23Å; I64-S67 PolarHBondContact O-OG 2.69Å; K65-S67 VanDerWaalsContact C-N 3.34Å; K65-S67 PolarHBondContact O-N 2.97Å
68	C	86	Confident	91.6	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.034	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	10.4	-178.2	-55	0	0	0	0	112.8	I64 K65 E66 G70 I74	I64-C68 PolarHBondContact O-N 3.2Å; I64-C68 PolarHBondContact O-SG 3.3Å; K65-C68 CarbonylContact O-C 3.52Å; K65-C68 PolarHBondContact O-N 2.77Å; E66-C68 PolarHBondContact O-N 3.46Å; C68-G70 PolarHBondContact O-N 3.34Å; C68-I74 HydrophobicContact CB-CB 4.23Å; C68-I74 HydrophobicContact CB-CG2 3.59Å
69	S	76.1	Confident	91.6	Very high	97 Å²	97	53 Å²	53	68%	0.678	30%	0.295	S	S	*	.			trans	-65.7	0.8	-174.8	-54.1	0	0	0	0	115.8	K65 E66	K65-S69 PolarHBondContact O-N 2.79Å; K65-S69 PolarHBondContact O-OG 3.35Å; E66-S69 WeakPolarHBondContact CA-OG 3.44Å; E66-S69 WeakPolarHBondContact O-CB 3.28Å; E66-S69 PolarHBondContact O-N 3.07Å; E66-S69 PolarHBondContact O-OG 3.06Å
70	G	78.8	Confident	91.7	Very high	64 Å²	64	49.4 Å²	49.4	66%	0.66	28%	0.278	S	S	*	.	S	Bend	trans	-85.7	-137.1	-178.9	0	0	0	0	0	113.6	C68 E72	C68-G70 PolarHBondContact O-N 3.34Å; G70-E72 PolarHBondContact O-N 3.4Å
71	S	75.8	Confident	91.7	Very high	125 Å²	125	49.7 Å²	49.7	87%	0.874	28%	0.28	S	S	*	.	S	Bend	trans	-68.7	-14.6	176.9	-55.5	0	0	0	0	113.9	K73	S71-K73 PolarHBondContact O-N 3.31Å
72	E	82.2	Confident	91.7	Very high	42 Å²	42	54 Å²	54	20%	0.196	30%	0.3	C	S	.	.			trans	-94.1	96.5	-172.2	-63.2	172.9	171.7	0	0	110.6	G70 I74 V224 K225 F228	G70-E72 PolarHBondContact O-N 3.4Å; E72-I74 PolarHBondContact O-N 3.4Å; E72-V224 HydrophobicContact CB-CG1 3.86Å; E72-V224 HydrophobicContact CG-CG1 4.36Å; E72-K225 WeakPolarHBondContact OE1-CG 3.26Å; E72-F228 HydrophobicContact CB-CD2 3.81Å; E72-F228 HydrophobicContact CB-CE2 3.73Å; E72-F228 HydrophobicContact CG-CD2 3.71Å; E72-F228 HydrophobicContact CG-CE2 4.17Å; E72-F228 HydrophobicContact CG-CG 4.23Å
73	K	90	Very high	91.7	Very high	139 Å²	139	57 Å²	57	60%	0.604	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.1	178.7	-66	-179.3	-178.9	178	0	110.6	T41 F42 S71	T41-K73 CarbonylContact C-O 3.57Å; T41-K73 VanDerWaalsContact CA-O 3.3Å; T41-K73 WeakPolarHBondContact CA-O 3.3Å; T41-K73 HydrophobicContact CG2-CB 3.74Å; T41-K73 HydrophobicContact CG2-CD 4.27Å; F42-K73 PolarHBondContact N-O 3.31Å; S71-K73 PolarHBondContact O-N 3.31Å
74	I	94.6	Very high	91.8	Very high	21 Å²	21	52.6 Å²	52.6	11%	0.108	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.1	174.1	-167	174	0	0	0	111.2	F42 L44 I64 C68 E72 I76 V220 V224	F42-I74 HydrophobicContact CD1-CD1 4.24Å; F42-I74 HydrophobicContact CD1-CG1 4.19Å; F42-I74 WeakPolarHBondContact O-CA 3.2Å; F42-I74 WeakPolarHBondContact O-CG1 3.2Å; L44-I74 HydrophobicContact CB-CD1 4.04Å; L44-I74 HydrophobicContact CB-CG1 4.33Å; L44-I74 HydrophobicContact CD2-CD1 4.04Å; I64-I74 HydrophobicContact CG2-CD1 3.59Å; C68-I74 HydrophobicContact CB-CB 4.23Å; C68-I74 HydrophobicContact CB-CG2 3.59Å; E72-I74 PolarHBondContact O-N 3.4Å; I74-I76 HydrophobicContact CD1-CD1 4.39Å; I74-I76 HydrophobicContact CD1-CG1 4.18Å; I74-I76 HydrophobicContact CG1-CG1 4.12Å; I74-V220 HydrophobicContact CD1-CG1 4.43Å; I74-V224 HydrophobicContact CD1-CG2 3.87Å
75	E	94.9	Very high	91.7	Very high	82 Å²	82	54 Å²	54	38%	0.383	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129	170.6	-71.6	-63.5	155.2	0	0	108.9	I38 T41 F42 L44 W122	I38-E75 HydrophobicContact CD1-CG 4.39Å; T41-E75 HydrophobicContact CG2-CG 4.34Å; F42-E75 PolarHBondContact O-N 3.38Å; L44-E75 PolarHBondContact N-O 3.34Å; E75-W122 HydrophobicContact CB-CH2 4.45Å; E75-W122 HydrophobicContact CB-CZ2 3.91Å; E75-W122 WeakPolarHBondContact O-CH2 3.42Å
76	I	96.4	Very high	91.7	Very high	3 Å²	3	56 Å²	56	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	132	-175.5	-58.4	177.3	0	0	0	109.3	L44 I46 V61 I64 K65 I74 V95	L44-I76 HydrophobicContact CB-CG1 4.42Å; L44-I76 HydrophobicContact CD2-CG1 4.46Å; L44-I76 WeakPolarHBondContact O-CA 3.34Å; I46-I76 HydrophobicContact CD1-CG2 3.63Å; I46-I76 HydrophobicContact CG1-CG2 4.08Å; V61-I76 HydrophobicContact CG1-CD1 4.26Å; I64-I76 HydrophobicContact CB-CD1 4.12Å; I64-I76 HydrophobicContact CG2-CD1 3.69Å; K65-I76 HydrophobicContact CG-CD1 3.89Å; I74-I76 HydrophobicContact CD1-CD1 4.39Å; I74-I76 HydrophobicContact CD1-CG1 4.18Å; I74-I76 HydrophobicContact CG1-CG1 4.12Å; I76-V95 HydrophobicContact CB-CG1 4.17Å; I76-V95 HydrophobicContact CG2-CG1 4.48Å
77	R	97.2	Very high	91.8	Very high	22 Å²	22	53.7 Å²	53.7	8%	0.083	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.5	167.3	-69.3	178	-174.8	-159.2	1.8	109.2	S34 L44 L45 I46 P96 Y98 W122	S34-R77 VanDerWaalsContact O-CZ 3.23Å; S34-R77 PolarHBondContact O-NH1 2.96Å; S34-R77 PolarHBondContact O-NH2 2.88Å; L44-R77 PolarHBondContact O-N 2.92Å; L45-R77 CarbonylContact C-O 3.49Å; L45-R77 WeakPolarHBondContact CA-O 3.39Å; L45-R77 HydrophobicContact CD1-CB 3.84Å; I46-R77 PolarHBondContact N-O 2.73Å; R77-P96 HydrophobicContact CG-CB 4.26Å; R77-P96 HydrophobicContact CG-CG 4.26Å; R77-Y98 HydrophobicContact CB-CE2 3.98Å; R77-Y98 HydrophobicContact CG-CE2 4.06Å; R77-Y98 PolarHBondContact NH1-OH 3.2Å; R77-W122 HydrophobicContact CB-CE3 4.46Å; R77-W122 HydrophobicContact CB-CH2 3.83Å; R77-W122 HydrophobicContact CB-CZ3 3.77Å; R77-W122 HydrophobicContact CG-CE3 4.38Å; R77-W122 HydrophobicContact CG-CH2 3.51Å; R77-W122 HydrophobicContact CG-CZ2 3.78Å; R77-W122 HydrophobicContact CG-CZ3 3.84Å; R77-W122 VanDerWaalsContact NE-CE2 3.31Å
78	I	97.9	Very high	91.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.8	-179.2	-56.2	-179.1	0	0	0	109.7	I46 V57 V61 A80 L93 V95 P96 I97 Y98	I46-I78 HydrophobicContact CB-CG1 4.36Å; I46-I78 CarbonylContact O-C 3.56Å; I46-I78 WeakPolarHBondContact O-CA 3.22Å; V57-I78 HydrophobicContact CG1-CD1 4Å; V61-I78 HydrophobicContact CG2-CD1 3.83Å; I78-A80 HydrophobicContact CG2-CB 4.33Å; I78-L93 HydrophobicContact CD1-CD1 3.73Å; I78-L93 HydrophobicContact CD1-CD2 4.07Å; I78-L93 HydrophobicContact CD1-CG 4.45Å; I78-V95 HydrophobicContact CD1-CG2 3.59Å; I78-V95 HydrophobicContact CG1-CG2 3.84Å; I78-P96 PolarHBondContact N-O 3.06Å; I78-I97 HydrophobicContact CB-CG1 4.15Å; I78-I97 HydrophobicContact CB-CG2 4.47Å; I78-I97 HydrophobicContact CD1-CG1 4.3Å; I78-I97 HydrophobicContact CG2-CG2 4.42Å; I78-I97 CarbonylContact O-C 3.54Å; I78-I97 WeakPolarHBondContact O-CA 3.47Å; I78-Y98 WeakPolarHBondContact O-CD2 3.41Å; I78-Y98 PolarHBondContact O-N 3.33Å
79	V	98	Very high	92.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.7	163	-170.9	0	0	0	0	107.6	L45 I46 G47 C48 Y98 L119 L147 L148	L45-V79 HydrophobicContact CD1-CG2 3.74Å; L45-V79 HydrophobicContact CD2-CG2 4.04Å; L45-V79 HydrophobicContact CG-CG2 4.02Å; I46-V79 PolarHBondContact O-N 3.29Å; G47-V79 CarbonylContact C-O 3.53Å; G47-V79 VanDerWaalsContact CA-O 3.28Å; G47-V79 WeakPolarHBondContact CA-O 3.44Å; C48-V79 PolarHBondContact N-O 3.27Å; V79-Y98 WeakPolarHBondContact CA-O 3.49Å; V79-L119 HydrophobicContact CG2-CD1 3.64Å; V79-L147 HydrophobicContact CG1-CB 4.33Å; V79-L147 HydrophobicContact CG1-CD2 3.81Å; V79-L147 HydrophobicContact CG1-CG 3.67Å; V79-L148 HydrophobicContact CG1-CB 3.85Å; V79-L148 HydrophobicContact CG1-CG 4.49Å
80	A	97.8	Very high	92.7	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.3	-174.5	0	0	0	0	0	110	C48 I78 L85 I97 Y98	C48-A80 VanDerWaalsContact SG-CB 3.51Å; I78-A80 HydrophobicContact CG2-CB 4.33Å; A80-L85 HydrophobicContact CB-CD1 4.34Å; A80-L85 HydrophobicContact CB-CD2 3.75Å; A80-L85 HydrophobicContact CB-CG 3.93Å; A80-I97 HydrophobicContact CB-CG2 3.9Å; A80-Y98 PolarHBondContact N-O 3.24Å
81	T	97.9	Very high	93.1	Very high	9 Å²	9	53.2 Å²	53.2	6%	0.055	28%	0.282	C	S	.	.			trans	-74.2	153	167.7	69.7	0	0	0	0	109.9	C48 T49 K83 S84 L85 L148	C48-T81 PolarHBondContact O-N 3.38Å; C48-T81 VanDerWaalsContact O-N 3.08Å; T49-T81 HydrophobicContact CG2-CG2 4.22Å; T81-K83 PolarHBondContact O-N 3.45Å; T81-S84 PolarHBondContact N-OG 2.81Å; T81-S84 PolarHBondContact O-N 2.99Å; T81-S84 PolarHBondContact O-OG 2.85Å; T81-S84 PolarHBondContact OG1-N 3.38Å; T81-L85 PolarHBondContact O-N 2.9Å; T81-L148 HydrophobicContact CG2-CB 4.19Å; T81-L148 HydrophobicContact CG2-CD1 4.17Å
82	E	95.5	Very high	93.7	Very high	91 Å²	91	52.4 Å²	52.4	43%	0.425	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.9	176.7	-64.5	-56.6	147.3	0	0	112.6
83	K	96.9	Very high	94.1	Very high	150 Å²	150	51 Å²	51	65%	0.652	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-31.5	176.3	-61.7	-56	-176.5	-173.2	0	113.4	T81 L85 T86 F87	T81-K83 PolarHBondContact O-N 3.45Å; K83-L85 VanDerWaalsContact C-N 3.33Å; K83-T86 PolarHBondContact O-N 3.46Å; K83-F87 WeakPolarHBondContact O-CD2 3.23Å; K83-F87 VanDerWaalsContact O-CE2 3.32Å; K83-F87 WeakPolarHBondContact O-CE2 3.47Å
84	S	96.8	Very high	94.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-68.5	-35.9	177.8	70.6	0	0	0	0	111.8	C48 T49 T81 T86 F87 F88	C48-S84 PolarHBondContact O-OG 3.32Å; C48-S84 PolarHBondContact SG-OG 2.7Å; T49-S84 VanDerWaalsContact C-CB 3.48Å; T49-S84 WeakPolarHBondContact O-CA 3.48Å; T49-S84 WeakPolarHBondContact O-CB 3.44Å; T81-S84 PolarHBondContact N-OG 2.81Å; T81-S84 PolarHBondContact O-N 2.99Å; T81-S84 PolarHBondContact O-OG 2.85Å; T81-S84 PolarHBondContact OG1-N 3.38Å; S84-T86 PolarHBondContact O-N 2.99Å; S84-F87 PolarHBondContact O-N 2.88Å; S84-F87 VanDerWaalsContact O-N 3.08Å; S84-F88 WeakPolarHBondContact O-CD1 3.42Å; S84-F88 WeakPolarHBondContact O-CE1 3.47Å
85	L	94.9	Very high	94	Very high	32 Å²	32	51.1 Å²	51.1	17%	0.168	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-67.6	-13	-178.7	-64.6	172	0	0	0	113.9	A80 T81 K83 F87 F88 R99	A80-L85 HydrophobicContact CB-CD1 4.34Å; A80-L85 HydrophobicContact CB-CD2 3.75Å; A80-L85 HydrophobicContact CB-CG 3.93Å; T81-L85 PolarHBondContact O-N 2.9Å; K83-L85 VanDerWaalsContact C-N 3.33Å; L85-F87 PolarHBondContact O-N 2.88Å; L85-F88 HydrophobicContact CD2-CE1 4.49Å; L85-F88 HydrophobicContact CD2-CE2 4.19Å; L85-F88 HydrophobicContact CD2-CZ 3.85Å; L85-F88 VanDerWaalsContact O-O 3.13Å; L85-R99 HydrophobicContact CD1-CG 3.97Å
86	T	94.6	Very high	94	Very high	111 Å²	111	48.6 Å²	48.6	68%	0.681	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-72.2	-19.4	172.1	-54.4	0	0	0	0	112.3	K83 S84	K83-T86 PolarHBondContact O-N 3.46Å; S84-T86 PolarHBondContact O-N 2.99Å
87	F	95	Very high	94	Very high	70 Å²	70	49.2 Å²	49.2	31%	0.307	26%	0.262	S	S	.	.	S	Bend	trans	-101.1	-10.8	-172.4	-61	-70.4	0	0	0	114.9	S51 V52 K83 S84 L85	S51-F87 VanDerWaalsContact O-CD2 3.23Å; S51-F87 WeakPolarHBondContact O-CD2 3.24Å; V52-F87 HydrophobicContact CB-CD1 4.48Å; V52-F87 HydrophobicContact CB-CE1 4.4Å; V52-F87 HydrophobicContact CG2-CD1 4.26Å; V52-F87 HydrophobicContact CG2-CE1 3.75Å; V52-F87 HydrophobicContact CG2-CZ 4.31Å; K83-F87 WeakPolarHBondContact O-CD2 3.23Å; K83-F87 VanDerWaalsContact O-CE2 3.32Å; K83-F87 WeakPolarHBondContact O-CE2 3.47Å; S84-F87 PolarHBondContact O-N 2.88Å; S84-F87 VanDerWaalsContact O-N 3.08Å; L85-F87 PolarHBondContact O-N 2.88Å
88	F	92.7	Very high	94	Very high	18 Å²	18	48.1 Å²	48.1	8%	0.079	26%	0.258	C	S	.	.	S	Bend	trans	-148.9	150.8	176	67.6	-86	0	0	0	110.8	S54 V57 P58 S84 L85 S90 L93	S54-F88 WeakPolarHBondContact O-CD1 3.3Å; V57-F88 HydrophobicContact CB-CD1 4.37Å; V57-F88 HydrophobicContact CB-CE1 4.18Å; V57-F88 HydrophobicContact CB-CZ 4.34Å; V57-F88 HydrophobicContact CG1-CE1 4.45Å; V57-F88 HydrophobicContact CG1-CE2 4.42Å; V57-F88 HydrophobicContact CG1-CZ 4.14Å; V57-F88 HydrophobicContact CG2-CE1 4.24Å; P58-F88 HydrophobicContact CG-CB 4.22Å; P58-F88 HydrophobicContact CG-CD2 4.09Å; P58-F88 HydrophobicContact CG-CG 4.39Å; S84-F88 WeakPolarHBondContact O-CD1 3.42Å; S84-F88 WeakPolarHBondContact O-CE1 3.47Å; L85-F88 HydrophobicContact CD2-CE1 4.49Å; L85-F88 HydrophobicContact CD2-CE2 4.19Å; L85-F88 HydrophobicContact CD2-CZ 3.85Å; L85-F88 VanDerWaalsContact O-O 3.13Å; F88-S90 PolarHBondContact O-N 2.77Å; F88-L93 HydrophobicContact CD2-CD1 3.96Å; F88-L93 HydrophobicContact CE2-CD1 3.47Å; F88-L93 VanDerWaalsContact CE2-CD1 3.47Å; F88-L93 HydrophobicContact CZ-CD1 4.42Å
89	D	90.1	Very high	93.9	Very high	85 Å²	85	51.7 Å²	51.7	46%	0.455	27%	0.272	S	S	.	.			trans	-80.1	117.7	173.7	-176.6	3.3	0	0	0	110.5	S91 L92	D89-S91 PolarHBondContact O-N 3.02Å; D89-S91 VanDerWaalsContact OD1-CB 3.31Å; D89-S91 WeakPolarHBondContact OD1-CB 3.39Å; D89-S91 PolarHBondContact OD1-N 2.98Å; D89-S91 PolarHBondContact OD1-OG 2.82Å; D89-S91 PolarHBondContact OD2-OG 3.42Å; D89-L92 HydrophobicContact CB-CD1 4.13Å; D89-L92 HydrophobicContact CB-CG 4.1Å; D89-L92 WeakPolarHBondContact O-CB 3.33Å; D89-L92 PolarHBondContact O-N 3.04Å
90	S	88.4	Confident	93.7	Very high	35 Å²	35	53.6 Å²	53.6	25%	0.245	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-61.1	-21.3	174.9	56.4	0	0	0	0	114	F88 L92 L93 R99	F88-S90 PolarHBondContact O-N 2.77Å; S90-L92 PolarHBondContact O-N 2.83Å; S90-L93 PolarHBondContact O-N 3.09Å; S90-R99 PolarHBondContact OG-NH2 2.98Å
91	S	88.3	Confident	93.5	Very high	82 Å²	82	56.1 Å²	56.1	57%	0.573	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-66.8	-21.8	178.4	85	0	0	0	0	113.1	D89 L93	D89-S91 PolarHBondContact O-N 3.02Å; D89-S91 VanDerWaalsContact OD1-CB 3.31Å; D89-S91 WeakPolarHBondContact OD1-CB 3.39Å; D89-S91 PolarHBondContact OD1-N 2.98Å; D89-S91 PolarHBondContact OD1-OG 2.82Å; D89-S91 PolarHBondContact OD2-OG 3.42Å; S91-L93 PolarHBondContact O-N 3.24Å
92	L	87.6	Confident	93.3	Very high	107 Å²	107	56.3 Å²	56.3	56%	0.56	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-73.2	-13.2	177.9	-59.1	175.9	0	0	0	112.8	D89 S90	D89-L92 HydrophobicContact CB-CD1 4.13Å; D89-L92 HydrophobicContact CB-CG 4.1Å; D89-L92 WeakPolarHBondContact O-CB 3.33Å; D89-L92 PolarHBondContact O-N 3.04Å; S90-L92 PolarHBondContact O-N 2.83Å
93	L	90.2	Very high	92.9	Very high	12 Å²	12	53 Å²	53	6%	0.063	29%	0.285	C	S	.	.			trans	-103.2	115	-172.8	-77.9	162.2	0	0	0	111.2	V57 P58 V61 I78 F88 S90 S91 V95 I97	V57-L93 HydrophobicContact CG1-CD1 4.29Å; P58-L93 HydrophobicContact CB-CD2 4.25Å; P58-L93 HydrophobicContact CB-CG 4.39Å; P58-L93 HydrophobicContact CG-CD1 4.37Å; P58-L93 HydrophobicContact CG-CG 4.27Å; V61-L93 HydrophobicContact CB-CD2 3.78Å; V61-L93 HydrophobicContact CG1-CD2 4Å; V61-L93 HydrophobicContact CG2-CD2 3.79Å; I78-L93 HydrophobicContact CD1-CD1 3.73Å; I78-L93 HydrophobicContact CD1-CD2 4.07Å; I78-L93 HydrophobicContact CD1-CG 4.45Å; F88-L93 HydrophobicContact CD2-CD1 3.96Å; F88-L93 HydrophobicContact CE2-CD1 3.47Å; F88-L93 VanDerWaalsContact CE2-CD1 3.47Å; F88-L93 HydrophobicContact CZ-CD1 4.42Å; S90-L93 PolarHBondContact O-N 3.09Å; S91-L93 PolarHBondContact O-N 3.24Å; L93-V95 HydrophobicContact CB-CG2 4.14Å; L93-V95 HydrophobicContact CD2-CG2 4.2Å; L93-V95 PolarHBondContact O-N 2.89Å; L93-V95 VanDerWaalsContact O-N 3.08Å; L93-I97 HydrophobicContact CB-CD1 4Å; L93-I97 HydrophobicContact CD1-CD1 3.8Å
94	N	90.3	Very high	92.5	Very high	147 Å²	147	54.3 Å²	54.3	79%	0.786	29%	0.286	S	S	*	.			trans	-85.3	47.6	172.4	-66.7	-43.4	0	0	0	111.8	K65	K65-N94 PolarHBondContact NZ-O 3.33Å
95	V	93.4	Very high	92.1	Very high	17 Å²	17	58.5 Å²	58.5	10%	0.103	31%	0.308	C	S	.	.	S	Bend	trans	-140.3	151.7	176.3	-65.8	0	0	0	0	110	V61 K65 I76 I78 L93 I97	V61-V95 HydrophobicContact CG1-CG1 3.95Å; V61-V95 HydrophobicContact CG1-CG2 4.26Å; K65-V95 VanDerWaalsContact CE-CG1 3.45Å; I76-V95 HydrophobicContact CB-CG1 4.17Å; I76-V95 HydrophobicContact CG2-CG1 4.48Å; I78-V95 HydrophobicContact CD1-CG2 3.59Å; I78-V95 HydrophobicContact CG1-CG2 3.84Å; L93-V95 HydrophobicContact CB-CG2 4.14Å; L93-V95 HydrophobicContact CD2-CG2 4.2Å; L93-V95 PolarHBondContact O-N 2.89Å; L93-V95 VanDerWaalsContact O-N 3.08Å; V95-I97 PolarHBondContact O-N 3.03Å
96	P	95.2	Very high	91.6	Very high	29 Å²	29	57.9 Å²	57.9	19%	0.188	31%	0.306	C	S	.	.			trans	-61.8	132	174.4	-21.2	33.4	0	0	0	111.5	K31 I32 R77 I78 Y98	K31-P96 HydrophobicContact CB-CG 4.35Å; I32-P96 HydrophobicContact CG1-CB 4.4Å; R77-P96 HydrophobicContact CG-CB 4.26Å; R77-P96 HydrophobicContact CG-CG 4.26Å; I78-P96 PolarHBondContact N-O 3.06Å; P96-Y98 HydrophobicContact CB-CE2 3.89Å
97	I	96	Very high	91.1	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.077	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.3	176.8	-57.4	168.5	0	0	0	107.8	I78 A80 L93 V95	I78-I97 HydrophobicContact CB-CG1 4.15Å; I78-I97 HydrophobicContact CB-CG2 4.47Å; I78-I97 HydrophobicContact CD1-CG1 4.3Å; I78-I97 HydrophobicContact CG2-CG2 4.42Å; I78-I97 CarbonylContact O-C 3.54Å; I78-I97 WeakPolarHBondContact O-CA 3.47Å; A80-I97 HydrophobicContact CB-CG2 3.9Å; L93-I97 HydrophobicContact CB-CD1 4Å; L93-I97 HydrophobicContact CD1-CD1 3.8Å; V95-I97 PolarHBondContact O-N 3.03Å
98	Y	96.7	Very high	90.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.1	178.9	-60.5	-105.9	0	0	0	110	I32 F35 R77 I78 V79 A80 P96 D102 I115 L119	I32-Y98 HydrophobicContact CB-CE1 4.39Å; I32-Y98 HydrophobicContact CG2-CD1 3.84Å; I32-Y98 HydrophobicContact CG2-CE1 3.62Å; I32-Y98 WeakPolarHBondContact O-CE1 3.48Å; I32-Y98 PolarHBondContact O-OH 3.37Å; F35-Y98 AromaticContact CE1-CE1 3.96Å; F35-Y98 HydrophobicContact CE1-CE1 3.96Å; F35-Y98 HydrophobicContact CZ-CE1 4.35Å; R77-Y98 HydrophobicContact CB-CE2 3.98Å; R77-Y98 HydrophobicContact CG-CE2 4.06Å; R77-Y98 PolarHBondContact NH1-OH 3.2Å; I78-Y98 WeakPolarHBondContact O-CD2 3.41Å; I78-Y98 PolarHBondContact O-N 3.33Å; V79-Y98 WeakPolarHBondContact CA-O 3.49Å; A80-Y98 PolarHBondContact N-O 3.24Å; P96-Y98 HydrophobicContact CB-CE2 3.89Å; Y98-D102 WeakPolarHBondContact CA-OD2 3.43Å; Y98-I115 HydrophobicContact CD1-CD1 4.46Å; Y98-I115 HydrophobicContact CD1-CG2 3.68Å; Y98-I115 HydrophobicContact CE1-CG2 4.09Å; Y98-L119 HydrophobicContact CD1-CD1 4.09Å; Y98-L119 HydrophobicContact CD1-CD2 4.19Å; Y98-L119 HydrophobicContact CD1-CG 4.48Å; Y98-L119 HydrophobicContact CD2-CD1 4.43Å; Y98-L119 HydrophobicContact CD2-CD2 4.05Å; Y98-L119 HydrophobicContact CE1-CD2 3.87Å; Y98-L119 HydrophobicContact CE1-CG 4.45Å; Y98-L119 HydrophobicContact CE2-CD2 3.8Å; Y98-L119 HydrophobicContact CG-CD1 4.03Å; Y98-L119 HydrophobicContact CG-CD2 4.28Å
99	R	95.3	Very high	90.5	Very high	74 Å²	74	69.4 Å²	69.4	28%	0.279	34%	0.339	S	S	.	.			trans	-128.6	170	-177.6	-56.7	-177.8	179.5	118.5	-5.1	110.4	L85 S90 S101 D102 L147	L85-R99 HydrophobicContact CD1-CG 3.97Å; S90-R99 PolarHBondContact OG-NH2 2.98Å; R99-S101 PolarHBondContact O-N 3.34Å; R99-D102 PolarHBondContact N-OD2 3.21Å; R99-D102 WeakPolarHBondContact O-CB 3.3Å; R99-D102 PolarHBondContact O-N 3Å; R99-L147 WeakPolarHBondContact O-CD2 3.31Å
100	D	94.3	Very high	90.4	Very high	41 Å²	41	73.3 Å²	73.3	22%	0.219	36%	0.358	C	S	.	.	H	α-helix	trans	-57.9	-36.6	178.2	-66.3	-12.7	0	0	0	111.9	D102 E103 N146 L147	D100-D102 VanDerWaalsContact C-N 3.3Å; D100-D102 PolarHBondContact O-N 3.42Å; D100-E103 PolarHBondContact O-N 2.87Å; D100-N146 WeakPolarHBondContact OD1-CB 3.46Å; D100-N146 WeakPolarHBondContact OD2-CB 3.31Å; D100-L147 VanDerWaalsContact OD1-CB 3.31Å; D100-L147 WeakPolarHBondContact OD1-CB 3.45Å; D100-L147 PolarHBondContact OD1-N 3.15Å
101	S	93.7	Very high	90.4	Very high	53 Å²	53	75.2 Å²	75.2	37%	0.371	38%	0.383	S	S	.	.	H	α-helix	trans	-64.7	-31.1	177.5	56.1	0	0	0	0	113.3	R99 E103 W104 N105	R99-S101 PolarHBondContact O-N 3.34Å; S101-E103 PolarHBondContact O-N 3.03Å; S101-W104 PolarHBondContact O-N 3.32Å; S101-N105 VanDerWaalsContact O-CB 3.29Å; S101-N105 WeakPolarHBondContact O-CB 3.16Å; S101-N105 PolarHBondContact O-N 3.13Å; S101-N105 PolarHBondContact O-ND2 2.94Å; S101-N105 VanDerWaalsContact O-ND2 3.09Å
102	D	92.9	Very high	90.4	Very high	14 Å²	14	72.9 Å²	72.9	8%	0.075	36%	0.364	C	S	.	.	H	α-helix	trans	-67.5	-37.6	-178.4	-61.2	-50.8	0	0	0	111.5	Y98 R99 D100 W104 N105 C106 I115	Y98-D102 WeakPolarHBondContact CA-OD2 3.43Å; R99-D102 PolarHBondContact N-OD2 3.21Å; R99-D102 WeakPolarHBondContact O-CB 3.3Å; R99-D102 PolarHBondContact O-N 3Å; D100-D102 VanDerWaalsContact C-N 3.3Å; D100-D102 PolarHBondContact O-N 3.42Å; D102-W104 VanDerWaalsContact C-N 3.33Å; D102-W104 PolarHBondContact O-N 3.5Å; D102-N105 PolarHBondContact O-N 2.88Å; D102-C106 WeakPolarHBondContact O-CB 3.31Å; D102-C106 PolarHBondContact O-N 3.13Å; D102-I115 VanDerWaalsContact C-CD1 3.41Å; D102-I115 HydrophobicContact CB-CD1 3.99Å; D102-I115 WeakPolarHBondContact O-CD1 3.49Å
103	E	88.7	Confident	90.5	Very high	21 Å²	21	70.2 Å²	70.2	10%	0.098	35%	0.353	C	S	.	.	H	α-helix	trans	-55.9	-48.8	176.5	-178.3	75.6	-146.1	0	0	110.7	D100 S101 W107 V114 I115 H116 L147	D100-E103 PolarHBondContact O-N 2.87Å; S101-E103 PolarHBondContact O-N 3.03Å; E103-W107 PolarHBondContact O-N 2.88Å; E103-V114 WeakPolarHBondContact OE1-CG1 3.46Å; E103-I115 PolarHBondContact OE1-N 2.88Å; E103-I115 VanDerWaalsContact OE2-CB 3.32Å; E103-I115 WeakPolarHBondContact OE2-CB 3.43Å; E103-H116 VanDerWaalsContact CD-ND1 3.26Å; E103-H116 IonicContact OE1-CE1 2.77Å; E103-H116 IonicContact OE1-ND1 3.5Å; E103-H116 PolarHBondContact OE1-ND1 3.48Å; E103-H116 IonicContact OE2-CG 3.13Å; E103-H116 PolarHBondContact OE2-N 3.49Å; E103-H116 IonicContact OE2-ND1 2.88Å; E103-H116 PolarHBondContact OE2-ND1 3.04Å; E103-H116 VanDerWaalsContact OE2-ND1 3.13Å; E103-L147 HydrophobicContact CB-CD1 4.33Å; E103-L147 WeakPolarHBondContact OE2-CD1 3.32Å
104	W	87.6	Confident	90.7	Very high	177 Å²	177	71.9 Å²	71.9	67%	0.67	36%	0.364	S	S	*	.	H	α-helix	trans	-80.8	-21.8	-177.4	-58.6	109.3	0	0	0	113.6	S101 D102 K108	S101-W104 PolarHBondContact O-N 3.32Å; D102-W104 VanDerWaalsContact C-N 3.33Å; D102-W104 PolarHBondContact O-N 3.5Å; W104-K108 PolarHBondContact O-NZ 3.03Å
105	N	89.1	Confident	90.9	Very high	88 Å²	88	64.9 Å²	64.9	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-74.2	-32.7	173.8	-75	-24.9	0	0	0	112	S101 D102 K108	S101-N105 VanDerWaalsContact O-CB 3.29Å; S101-N105 WeakPolarHBondContact O-CB 3.16Å; S101-N105 PolarHBondContact O-N 3.13Å; S101-N105 PolarHBondContact O-ND2 2.94Å; S101-N105 VanDerWaalsContact O-ND2 3.09Å; D102-N105 PolarHBondContact O-N 2.88Å; N105-K108 WeakPolarHBondContact O-CE 3.22Å; N105-K108 PolarHBondContact O-NZ 3.32Å
106	C	83.6	Confident	91.1	Very high	19 Å²	19	66 Å²	66	13%	0.128	33%	0.33	C	S	.	.	H	α-helix	trans	-76.5	-40.7	179.2	-159.3	0	0	0	0	113.3	Y33 D102 K108 I115	Y33-C106 HydrophobicContact CD1-CB 3.86Å; Y33-C106 WeakPolarHBondContact CD1-SG 3.5Å; Y33-C106 HydrophobicContact CE1-CB 3.55Å; D102-C106 WeakPolarHBondContact O-CB 3.31Å; D102-C106 PolarHBondContact O-N 3.13Å; C106-K108 PolarHBondContact O-N 3.36Å; C106-I115 HydrophobicContact CB-CD1 3.78Å; C106-I115 HydrophobicContact CB-CG1 3.87Å
107	W	83.5	Confident	91.1	Very high	119 Å²	119	66.5 Å²	66.5	45%	0.451	33%	0.331	S	S	.	.			trans	-83.9	115.1	-175.9	-173	83.1	0	0	0	111.6	E103	E103-W107 PolarHBondContact O-N 2.88Å
108	K	87.8	Confident	91.1	Very high	141 Å²	141	67.6 Å²	67.6	61%	0.613	34%	0.336	S	S	*	.	S	Bend	trans	-123.7	-28.9	175.3	-58.3	-60.7	172.8	-145.9	0	112.9	W104 N105 C106 D112	W104-K108 PolarHBondContact O-NZ 3.03Å; N105-K108 WeakPolarHBondContact O-CE 3.22Å; N105-K108 PolarHBondContact O-NZ 3.32Å; C106-K108 PolarHBondContact O-N 3.36Å; K108-D112 WeakPolarHBondContact CA-OD2 3.38Å; K108-D112 WeakPolarHBondContact CB-OD2 3.21Å; K108-D112 PolarHBondContact N-OD2 3.21Å
109	R	88.6	Confident	91.2	Very high	182 Å²	182	67.6 Å²	67.6	69%	0.687	34%	0.336	S	S	*	.	S	Bend	trans	-149.1	164.7	-179.9	60.3	-179.6	-173.1	-179.8	6.5	111.6	G111 D112	R109-G111 PolarHBondContact O-N 2.96Å; R109-D112 WeakPolarHBondContact CG-OD1 3.45Å; R109-D112 WeakPolarHBondContact CG-OD2 3.4Å; R109-D112 PolarHBondContact N-OD2 3.12Å; R109-D112 IonicContact NE-OD1 3.73Å; R109-D112 WeakPolarHBondContact O-CB 3.43Å; R109-D112 PolarHBondContact O-N 3.07Å; R109-D112 VanDerWaalsContact O-N 3.13Å
110	I	87.7	Confident	91.3	Very high	166 Å²	166	67 Å²	67	85%	0.851	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	129.9	171.7	-60.4	174.4	0	0	0	108.9
111	G	87.6	Confident	91.4	Very high	75 Å²	75	71.5 Å²	71.5	77%	0.773	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.6	-14.4	-176.7	0	0	0	0	0	114.1	R109	R109-G111 PolarHBondContact O-N 2.96Å
112	D	89.5	Confident	91.5	Very high	33 Å²	33	69.3 Å²	69.3	18%	0.176	33%	0.331	C	S	.	.	S	Bend	trans	-68.3	149	170.4	-65.1	-13.7	0	0	0	110.5	K108 R109 V114	K108-D112 WeakPolarHBondContact CA-OD2 3.38Å; K108-D112 WeakPolarHBondContact CB-OD2 3.21Å; K108-D112 PolarHBondContact N-OD2 3.21Å; R109-D112 WeakPolarHBondContact CG-OD1 3.45Å; R109-D112 WeakPolarHBondContact CG-OD2 3.4Å; R109-D112 PolarHBondContact N-OD2 3.12Å; R109-D112 IonicContact NE-OD1 3.73Å; R109-D112 WeakPolarHBondContact O-CB 3.43Å; R109-D112 PolarHBondContact O-N 3.07Å; R109-D112 VanDerWaalsContact O-N 3.13Å; D112-V114 PolarHBondContact O-N 2.97Å
113	P	89.5	Confident	91.7	Very high	52 Å²	52	68.6 Å²	68.6	34%	0.338	33%	0.327	S	S	.	.			trans	-64.2	138.2	-179.9	24.4	-30.5	0	0	0	111.2	F35 E118	F35-P113 HydrophobicContact CE2-CB 4.21Å; F35-P113 HydrophobicContact CE2-CG 4.48Å; P113-E118 HydrophobicContact CB-CG 3.88Å
114	V	93.6	Very high	92.1	Very high	47 Å²	47	69.1 Å²	69.1	29%	0.285	33%	0.331	S	S	.	.			trans	-95.9	108.6	175.8	178.7	0	0	0	0	107.4	E103 D112 H116 I117 E118	E103-V114 WeakPolarHBondContact OE1-CG1 3.46Å; D112-V114 PolarHBondContact O-N 2.97Å; V114-H116 WeakPolarHBondContact CG1-CE1 3.48Å; V114-H116 WeakPolarHBondContact CG1-ND1 3.49Å; V114-H116 PolarHBondContact O-N 3.13Å; V114-I117 HydrophobicContact CB-CB 4.22Å; V114-I117 HydrophobicContact CB-CG1 4.07Å; V114-I117 HydrophobicContact CG1-CB 4.28Å; V114-I117 HydrophobicContact CG1-CG1 3.72Å; V114-I117 WeakPolarHBondContact O-CB 3.37Å; V114-I117 PolarHBondContact O-N 3.48Å; V114-E118 PolarHBondContact O-N 3.35Å
115	I	95.2	Very high	92.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-47.9	-164.5	-63.9	-166.8	0	0	0	111.6	Y33 F35 Y98 D102 E103 C106 I117 E118 L119 L147	Y33-I115 HydrophobicContact CD1-CD1 4.15Å; Y33-I115 HydrophobicContact CE1-CD1 3.86Å; F35-I115 HydrophobicContact CE1-CG2 4.46Å; F35-I115 HydrophobicContact CZ-CB 4.47Å; F35-I115 HydrophobicContact CZ-CG1 4.14Å; F35-I115 HydrophobicContact CZ-CG2 4.32Å; Y98-I115 HydrophobicContact CD1-CD1 4.46Å; Y98-I115 HydrophobicContact CD1-CG2 3.68Å; Y98-I115 HydrophobicContact CE1-CG2 4.09Å; D102-I115 VanDerWaalsContact C-CD1 3.41Å; D102-I115 HydrophobicContact CB-CD1 3.99Å; D102-I115 WeakPolarHBondContact O-CD1 3.49Å; E103-I115 PolarHBondContact OE1-N 2.88Å; E103-I115 VanDerWaalsContact OE2-CB 3.32Å; E103-I115 WeakPolarHBondContact OE2-CB 3.43Å; C106-I115 HydrophobicContact CB-CD1 3.78Å; C106-I115 HydrophobicContact CB-CG1 3.87Å; I115-I117 PolarHBondContact O-N 2.96Å; I115-E118 PolarHBondContact O-N 3.28Å; I115-E118 VanDerWaalsContact O-N 3.07Å; I115-L119 HydrophobicContact CG2-CD1 3.63Å; I115-L119 HydrophobicContact CG2-CG 3.85Å; I115-L119 WeakPolarHBondContact O-CB 3.45Å; I115-L119 WeakPolarHBondContact O-CG 3.42Å; I115-L119 PolarHBondContact O-N 3.19Å; I115-L147 HydrophobicContact CG2-CD1 4.14Å; I115-L147 HydrophobicContact CG2-CD2 4.47Å
116	H	96.5	Very high	93.1	Very high	40 Å²	40	56.5 Å²	56.5	19%	0.185	28%	0.276	C	S	.	.	H	α-helix	trans	-60.1	-31.2	-179.4	64.1	-87.2	0	0	0	113.3	E103 V114 R120 L147 C150 V151	E103-H116 VanDerWaalsContact CD-ND1 3.26Å; E103-H116 IonicContact OE1-CE1 2.77Å; E103-H116 IonicContact OE1-ND1 3.5Å; E103-H116 PolarHBondContact OE1-ND1 3.48Å; E103-H116 IonicContact OE2-CG 3.13Å; E103-H116 PolarHBondContact OE2-N 3.49Å; E103-H116 IonicContact OE2-ND1 2.88Å; E103-H116 PolarHBondContact OE2-ND1 3.04Å; E103-H116 VanDerWaalsContact OE2-ND1 3.13Å; V114-H116 WeakPolarHBondContact CG1-CE1 3.48Å; V114-H116 WeakPolarHBondContact CG1-ND1 3.49Å; V114-H116 PolarHBondContact O-N 3.13Å; H116-R120 WeakPolarHBondContact O-CB 3.35Å; H116-R120 PolarHBondContact O-N 2.85Å; H116-L147 HydrophobicContact CB-CD1 3.84Å; H116-C150 HydrophobicContact CB-CB 3.89Å; H116-V151 HydrophobicContact CB-CG2 3.65Å
117	I	96.4	Very high	93.8	Very high	40 Å²	40	55.7 Å²	55.7	21%	0.205	27%	0.271	C	S	.	.	H	α-helix	trans	-74.1	-42.7	174.4	-59.3	-58.4	0	0	0	111	V114 I115 R120 R121 A154	V114-I117 HydrophobicContact CB-CB 4.22Å; V114-I117 HydrophobicContact CB-CG1 4.07Å; V114-I117 HydrophobicContact CG1-CB 4.28Å; V114-I117 HydrophobicContact CG1-CG1 3.72Å; V114-I117 WeakPolarHBondContact O-CB 3.37Å; V114-I117 PolarHBondContact O-N 3.48Å; I115-I117 PolarHBondContact O-N 2.96Å; I117-R120 WeakPolarHBondContact O-CB 3.39Å; I117-R120 PolarHBondContact O-N 3.17Å; I117-R121 WeakPolarHBondContact O-CG 3.39Å; I117-R121 PolarHBondContact O-N 3.4Å; I117-A154 HydrophobicContact CD1-CB 3.96Å
118	E	96.3	Very high	94.5	Very high	38 Å²	38	50 Å²	50	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-68.6	-38.5	179.7	-68	-51.3	129.6	0	0	112.5	F35 P113 V114 I115 R120 R121 W122	F35-E118 HydrophobicContact CB-CB 4.19Å; F35-E118 HydrophobicContact CD1-CB 3.52Å; F35-E118 HydrophobicContact CD2-CB 3.62Å; F35-E118 HydrophobicContact CD2-CG 3.81Å; F35-E118 HydrophobicContact CE1-CB 3.69Å; F35-E118 HydrophobicContact CE2-CB 3.79Å; F35-E118 HydrophobicContact CE2-CG 3.98Å; F35-E118 HydrophobicContact CG-CB 3.49Å; F35-E118 VanDerWaalsContact CG-CB 3.49Å; F35-E118 HydrophobicContact CG-CG 4.13Å; F35-E118 HydrophobicContact CZ-CB 3.82Å; F35-E118 HydrophobicContact CZ-CG 4.45Å; P113-E118 HydrophobicContact CB-CG 3.88Å; V114-E118 PolarHBondContact O-N 3.35Å; I115-E118 PolarHBondContact O-N 3.28Å; I115-E118 VanDerWaalsContact O-N 3.07Å; E118-R120 VanDerWaalsContact C-N 3.33Å; E118-R120 PolarHBondContact O-N 2.96Å; E118-R121 PolarHBondContact O-N 3.46Å; E118-R121 IonicContact OE1-CZ 2.72Å; E118-R121 IonicContact OE1-NH1 3.73Å; E118-R121 PolarHBondContact OE1-NH1 2.82Å; E118-W122 VanDerWaalsContact O-CB 3.23Å; E118-W122 WeakPolarHBondContact O-CB 3.05Å; E118-W122 PolarHBondContact O-N 2.79Å
119	L	97.5	Very high	95.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-41.6	172.3	-72.2	177.7	0	0	0	111.6	F35 L45 V79 Y98 I115 W122 A123 V151	F35-L119 HydrophobicContact CE1-CD2 4.11Å; F35-L119 HydrophobicContact CE1-CG 4.31Å; L45-L119 HydrophobicContact CD1-CD2 4.08Å; L45-L119 HydrophobicContact CD2-CB 4.15Å; V79-L119 HydrophobicContact CG2-CD1 3.64Å; Y98-L119 HydrophobicContact CD1-CD1 4.09Å; Y98-L119 HydrophobicContact CD1-CD2 4.19Å; Y98-L119 HydrophobicContact CD1-CG 4.48Å; Y98-L119 HydrophobicContact CD2-CD1 4.43Å; Y98-L119 HydrophobicContact CD2-CD2 4.05Å; Y98-L119 HydrophobicContact CE1-CD2 3.87Å; Y98-L119 HydrophobicContact CE1-CG 4.45Å; Y98-L119 HydrophobicContact CE2-CD2 3.8Å; Y98-L119 HydrophobicContact CG-CD1 4.03Å; Y98-L119 HydrophobicContact CG-CD2 4.28Å; I115-L119 HydrophobicContact CG2-CD1 3.63Å; I115-L119 HydrophobicContact CG2-CG 3.85Å; I115-L119 WeakPolarHBondContact O-CB 3.45Å; I115-L119 WeakPolarHBondContact O-CG 3.42Å; I115-L119 PolarHBondContact O-N 3.19Å; L119-W122 PolarHBondContact O-N 2.85Å; L119-A123 WeakPolarHBondContact O-CB 3.24Å; L119-A123 PolarHBondContact O-N 3.46Å; L119-V151 HydrophobicContact CB-CG2 4.27Å; L119-V151 HydrophobicContact CD1-CG2 4.11Å
120	R	97.3	Very high	95.5	Very high	61 Å²	61	34.7 Å²	34.7	23%	0.23	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-40.3	173.8	-177.9	-82.4	-58.4	-153.7	-9.2	112	H116 I117 E118 W155 K159	H116-R120 WeakPolarHBondContact O-CB 3.35Å; H116-R120 PolarHBondContact O-N 2.85Å; I117-R120 WeakPolarHBondContact O-CB 3.39Å; I117-R120 PolarHBondContact O-N 3.17Å; E118-R120 VanDerWaalsContact C-N 3.33Å; E118-R120 PolarHBondContact O-N 2.96Å; R120-W155 HydrophobicContact CB-CE3 4.39Å; R120-W155 HydrophobicContact CG-CE3 4.02Å; R120-W155 HydrophobicContact CG-CZ3 4.4Å; R120-K159 PolarHBondContact O-NZ 3.48Å
121	R	96.4	Very high	96.1	Very high	135 Å²	135	26.8 Å²	26.8	51%	0.509	15%	0.147	S	C	.	.	H	α-helix	trans	-66.1	-45	175.7	-74.5	171.5	170.3	168.8	-3.9	111.4	K37 I117 E118 K159	K37-R121 WeakPolarHBondContact CE-O 3.22Å; K37-R121 PolarHBondContact NZ-O 2.94Å; I117-R121 WeakPolarHBondContact O-CG 3.39Å; I117-R121 PolarHBondContact O-N 3.4Å; E118-R121 PolarHBondContact O-N 3.46Å; E118-R121 IonicContact OE1-CZ 2.72Å; E118-R121 IonicContact OE1-NH1 3.73Å; E118-R121 PolarHBondContact OE1-NH1 2.82Å; R121-K159 PolarHBondContact O-NZ 3.38Å
122	W	96.9	Very high	96.5	Very high	7 Å²	7	24 Å²	24	3%	0.027	12%	0.115	C	C	.	.	H	α-helix	trans	-65.9	-39.4	-178.8	176.7	85	0	0	0	113	K37 N43 L45 E75 R77 E118 L119	K37-W122 WeakPolarHBondContact CE-O 3.36Å; K37-W122 PolarHBondContact NZ-O 2.72Å; N43-W122 HydrophobicContact CB-CD2 3.97Å; N43-W122 HydrophobicContact CB-CE3 4.08Å; N43-W122 HydrophobicContact CB-CH2 3.73Å; N43-W122 HydrophobicContact CB-CZ2 3.61Å; N43-W122 HydrophobicContact CB-CZ3 3.96Å; N43-W122 WeakPolarHBondContact CB-O 3.44Å; N43-W122 WeakPolarHBondContact OD1-CZ2 3.29Å; N43-W122 PolarHBondContact OD1-NE1 2.85Å; L45-W122 HydrophobicContact CB-CZ3 4.42Å; L45-W122 HydrophobicContact CD1-CZ3 4.33Å; E75-W122 HydrophobicContact CB-CH2 4.45Å; E75-W122 HydrophobicContact CB-CZ2 3.91Å; E75-W122 WeakPolarHBondContact O-CH2 3.42Å; R77-W122 HydrophobicContact CB-CE3 4.46Å; R77-W122 HydrophobicContact CB-CH2 3.83Å; R77-W122 HydrophobicContact CB-CZ3 3.77Å; R77-W122 HydrophobicContact CG-CE3 4.38Å; R77-W122 HydrophobicContact CG-CH2 3.51Å; R77-W122 HydrophobicContact CG-CZ2 3.78Å; R77-W122 HydrophobicContact CG-CZ3 3.84Å; R77-W122 VanDerWaalsContact NE-CE2 3.31Å; E118-W122 VanDerWaalsContact O-CB 3.23Å; E118-W122 WeakPolarHBondContact O-CB 3.05Å; E118-W122 PolarHBondContact O-N 2.79Å; L119-W122 PolarHBondContact O-N 2.85Å
123	A	97.7	Very high	96.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.			trans	-74.3	142	-176.8	0	0	0	0	0	112.2	L45 L119 W155 K159	L45-A123 HydrophobicContact CB-CB 3.8Å; L45-A123 HydrophobicContact CD2-CB 4.48Å; L119-A123 WeakPolarHBondContact O-CB 3.24Å; L119-A123 PolarHBondContact O-N 3.46Å; A123-W155 HydrophobicContact CB-CH2 3.57Å; A123-W155 HydrophobicContact CB-CZ3 3.99Å; A123-K159 WeakPolarHBondContact O-CD 3.41Å; A123-K159 WeakPolarHBondContact O-CE 3.36Å; A123-K159 PolarHBondContact O-NZ 3.08Å
124	D	96.9	Very high	97.3	Very high	31 Å²	31	25.1 Å²	25.1	17%	0.166	12%	0.12	C	C	.	.	S	Bend	trans	-94.3	-27.4	167.2	-58.2	-50	0	0	0	110.7	K37 F42 N43	K37-D124 IonicContact NZ-OD1 3.65Å; K37-D124 PolarHBondContact NZ-OD1 3.49Å; F42-D124 HydrophobicContact CD2-CB 4.05Å; F42-D124 HydrophobicContact CE2-CB 3.89Å; F42-D124 HydrophobicContact CZ-CB 4.4Å; N43-D124 WeakPolarHBondContact CB-OD2 3.34Å; N43-D124 PolarHBondContact N-OD2 3.36Å; N43-D124 PolarHBondContact ND2-OD2 3.46Å; N43-D124 PolarHBondContact O-N 2.85Å
125	A	98	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	161.2	171.8	0	0	0	0	0	111.3	F42 N43 L44 L45 P160	F42-A125 HydrophobicContact CE1-CB 4.07Å; F42-A125 HydrophobicContact CZ-CB 3.53Å; N43-A125 PolarHBondContact O-N 3.41Å; L44-A125 HydrophobicContact CD1-CB 4.24Å; L45-A125 PolarHBondContact N-O 2.81Å; A125-P160 WeakPolarHBondContact CA-O 3.48Å; A125-P160 HydrophobicContact CB-CG 3.82Å
126	M	98.7	Very high	97.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.9	172.1	-176.5	178.2	-160.3	0	0	111.6	L45 L128 V151 V152 W155 P160 L161 Y162	L45-M126 HydrophobicContact CB-CB 4.41Å; L45-M126 HydrophobicContact CB-CG 4.34Å; L45-M126 HydrophobicContact CD2-CE 4.13Å; L45-M126 HydrophobicContact CD2-SD 4.34Å; L45-M126 CarbonylContact O-C 3.6Å; L45-M126 WeakPolarHBondContact O-CA 3.44Å; L45-M126 WeakPolarHBondContact O-CG 3.22Å; M126-L128 HydrophobicContact CE-CD2 3.44Å; M126-L128 VanDerWaalsContact CE-CD2 3.44Å; M126-L128 HydrophobicContact CG-CD2 4.46Å; M126-L128 HydrophobicContact SD-CD2 4.18Å; M126-V151 HydrophobicContact CE-CG1 4.08Å; M126-V151 HydrophobicContact SD-CG1 4.1Å; M126-V152 HydrophobicContact CE-CG2 3.97Å; M126-V152 HydrophobicContact SD-CG2 4.03Å; M126-W155 HydrophobicContact CB-CE3 4.44Å; M126-W155 HydrophobicContact CB-CH2 3.43Å; M126-W155 VanDerWaalsContact CB-CH2 3.43Å; M126-W155 HydrophobicContact CB-CZ2 3.57Å; M126-W155 HydrophobicContact CB-CZ3 3.9Å; M126-W155 HydrophobicContact SD-CE3 4.11Å; M126-W155 HydrophobicContact SD-CZ3 4.14Å; M126-P160 PolarHBondContact N-O 3.4Å; M126-L161 HydrophobicContact CB-CD1 4.14Å; M126-L161 HydrophobicContact CB-CG 3.99Å; M126-L161 HydrophobicContact CG-CD1 4.2Å; M126-L161 HydrophobicContact CG-CG 4.24Å; M126-L161 CarbonylContact O-C 3.45Å; M126-L161 VanDerWaalsContact O-CA 3.31Å; M126-L161 WeakPolarHBondContact O-CA 3.48Å; M126-L161 HydrophobicContact SD-CD1 3.7Å; M126-L161 HydrophobicContact SD-CG 4.37Å; M126-Y162 PolarHBondContact O-N 3.02Å
127	V	98.8	Very high	97.8	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.8	171.4	177.5	0	0	0	0	109	L44 L45 I46 G47 A129 Y162 I216 V220	L44-V127 HydrophobicContact CD1-CG2 3.91Å; L45-V127 PolarHBondContact O-N 2.8Å; I46-V127 CarbonylContact C-O 3.59Å; I46-V127 VanDerWaalsContact CA-O 3.3Å; I46-V127 WeakPolarHBondContact CA-O 3.49Å; G47-V127 PolarHBondContact N-O 2.83Å; V127-A129 HydrophobicContact CG1-CB 3.89Å; V127-Y162 CarbonylContact C-O 3.55Å; V127-Y162 VanDerWaalsContact CA-O 3.3Å; V127-Y162 WeakPolarHBondContact CA-O 3.31Å; V127-I216 HydrophobicContact CG1-CG2 4.37Å; V127-V220 HydrophobicContact CG2-CG2 3.75Å
128	L	98.9	Very high	98	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	102.2	170.9	-58.3	177.8	0	0	0	109.2	G47 M126 L131 I139 L148 V152 L161 Y162 F163 C164	G47-L128 CarbonylContact O-C 3.5Å; G47-L128 VanDerWaalsContact O-CA 3.3Å; G47-L128 WeakPolarHBondContact O-CA 3.37Å; M126-L128 HydrophobicContact CE-CD2 3.44Å; M126-L128 VanDerWaalsContact CE-CD2 3.44Å; M126-L128 HydrophobicContact CG-CD2 4.46Å; M126-L128 HydrophobicContact SD-CD2 4.18Å; L128-L131 HydrophobicContact CB-CB 4.15Å; L128-L131 HydrophobicContact CD1-CD1 4.23Å; L128-L131 HydrophobicContact CD1-CD2 4.12Å; L128-I139 HydrophobicContact CD1-CD1 3.91Å; L128-L148 HydrophobicContact CD2-CD1 4.38Å; L128-L148 HydrophobicContact CD2-CD2 4.13Å; L128-L148 HydrophobicContact CD2-CG 4.41Å; L128-V152 HydrophobicContact CD1-CG2 4.21Å; L128-V152 HydrophobicContact CD2-CG2 4.19Å; L128-L161 HydrophobicContact CD1-CD2 4.09Å; L128-L161 HydrophobicContact CG-CD2 4.22Å; L128-Y162 PolarHBondContact N-O 3.22Å; L128-F163 HydrophobicContact CB-CB 3.89Å; L128-F163 HydrophobicContact CD1-CB 4.18Å; L128-F163 HydrophobicContact CG-CB 4.4Å; L128-F163 CarbonylContact O-C 3.45Å; L128-F163 WeakPolarHBondContact O-CA 3.2Å; L128-C164 PolarHBondContact O-N 3.29Å
129	A	98.6	Very high	98.1	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	102.9	-176.1	0	0	0	0	0	111.8	G47 I60 V127 C164 M210 I216	G47-A129 PolarHBondContact O-N 2.72Å; I60-A129 HydrophobicContact CD1-CB 4.33Å; V127-A129 HydrophobicContact CG1-CB 3.89Å; A129-C164 HydrophobicContact CB-CB 4.14Å; A129-M210 HydrophobicContact CB-SD 4.35Å; A129-I216 HydrophobicContact CB-CD1 4.19Å
130	P	98.5	Very high	98.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-81	160.1	-3.8	31.2	-35.3	0	0	0	114.1	T49 A53 S54 A166 M210	T49-P130 PolarHBondContact N-O 3.03Å; T49-P130 VanDerWaalsContact N-O 3.14Å; T49-P130 PolarHBondContact OG1-O 2.86Å; A53-P130 HydrophobicContact CB-CB 3.94Å; A53-P130 HydrophobicContact CB-CG 4.08Å; S54-P130 WeakPolarHBondContact OG-CD 3.09Å; S54-P130 WeakPolarHBondContact OG-CG 3.11Å; P130-A166 HydrophobicContact CB-CB 3.52Å; P130-M210 HydrophobicContact CB-SD 3.66Å; P130-M210 HydrophobicContact CG-SD 4.43Å
131	L	98.7	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	106.9	162.7	-178.9	58.6	0	0	0	110.7	T49 L128 L136 I139 F163 C164 P165 A166 L184	T49-L131 HydrophobicContact CG2-CD1 4.12Å; T49-L131 VanDerWaalsContact OG1-CA 3.29Å; T49-L131 WeakPolarHBondContact OG1-CA 3.4Å; L128-L131 HydrophobicContact CB-CB 4.15Å; L128-L131 HydrophobicContact CD1-CD1 4.23Å; L128-L131 HydrophobicContact CD1-CD2 4.12Å; L131-L136 HydrophobicContact CD1-CB 4.33Å; L131-L136 HydrophobicContact CD2-CB 4.02Å; L131-L136 HydrophobicContact CD2-CD1 3.92Å; L131-L136 HydrophobicContact CD2-CG 4.12Å; L131-L136 HydrophobicContact CG-CB 3.97Å; L131-L136 HydrophobicContact CG-CD1 4.34Å; L131-I139 HydrophobicContact CD1-CD1 4.01Å; L131-F163 HydrophobicContact CD2-CB 3.91Å; L131-F163 HydrophobicContact CD2-CD2 3.92Å; L131-F163 HydrophobicContact CD2-CG 4.2Å; L131-C164 PolarHBondContact N-O 3.25Å; L131-P165 CarbonylContact O-C 3.5Å; L131-P165 VanDerWaalsContact O-CA 3.29Å; L131-P165 WeakPolarHBondContact O-CA 3.46Å; L131-A166 PolarHBondContact O-N 2.86Å; L131-L184 HydrophobicContact CD2-CD2 3.85Å
132	D	98	Very high	98.2	Very high	18 Å²	18	19 Å²	19	10%	0.096	12%	0.115	C	C	.	.			trans	-72.4	162.1	175.7	70	8.6	0	0	0	111.7	T49 G50 N134 S135 L136	T49-D132 PolarHBondContact OG1-N 2.92Å; G50-D132 VanDerWaalsContact CA-OD2 3.22Å; G50-D132 WeakPolarHBondContact CA-OD2 3.3Å; G50-D132 PolarHBondContact N-OD2 2.85Å; D132-N134 VanDerWaalsContact C-N 3.25Å; D132-N134 PolarHBondContact O-N 2.77Å; D132-S135 PolarHBondContact O-N 3.41Å; D132-S135 WeakPolarHBondContact OD1-CA 3.3Å; D132-S135 WeakPolarHBondContact OD1-CB 3.28Å; D132-S135 PolarHBondContact OD1-N 2.95Å; D132-S135 PolarHBondContact OD1-OG 2.97Å; D132-L136 VanDerWaalsContact O-CB 3.24Å; D132-L136 WeakPolarHBondContact O-CB 3.35Å; D132-L136 PolarHBondContact O-N 3.5Å
133	A	97.7	Very high	98.3	Very high	16 Å²	16	23.2 Å²	23.2	13%	0.132	14%	0.137	C	C	.	.	H	α-helix	trans	-62.8	-32.6	-178.1	0	0	0	0	0	113	A137 M167 M171	A133-A137 VanDerWaalsContact O-CB 3.29Å; A133-A137 WeakPolarHBondContact O-CB 3.38Å; A133-A137 PolarHBondContact O-N 3.03Å; A133-M167 HydrophobicContact CB-CB 4.17Å; A133-M167 HydrophobicContact CB-CE 3.95Å; A133-M167 HydrophobicContact CB-SD 3.8Å; A133-M171 HydrophobicContact CB-CE 3.38Å; A133-M171 HydrophobicContact CB-SD 4.41Å
134	N	98	Very high	98.3	Very high	92 Å²	92	26 Å²	26	49%	0.492	16%	0.156	S	C	.	.	H	α-helix	trans	-67.3	-50	-179.5	175.2	63.6	0	0	0	111.7	D132 L136 A137 K138	D132-N134 VanDerWaalsContact C-N 3.25Å; D132-N134 PolarHBondContact O-N 2.77Å; N134-L136 VanDerWaalsContact C-N 3.33Å; N134-A137 PolarHBondContact O-N 3.44Å; N134-K138 WeakPolarHBondContact O-CG 3.4Å; N134-K138 PolarHBondContact O-N 3.24Å
135	S	98.6	Very high	98.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-70.1	-34.3	179.2	-49.1	0	0	0	0	110.7	T49 D132 K138 I139	T49-S135 WeakPolarHBondContact CG2-OG 3.2Å; D132-S135 PolarHBondContact O-N 3.41Å; D132-S135 WeakPolarHBondContact OD1-CA 3.3Å; D132-S135 WeakPolarHBondContact OD1-CB 3.28Å; D132-S135 PolarHBondContact OD1-N 2.95Å; D132-S135 PolarHBondContact OD1-OG 2.97Å; S135-K138 PolarHBondContact O-N 3Å; S135-I139 WeakPolarHBondContact O-CB 3.47Å; S135-I139 WeakPolarHBondContact O-CD1 3.48Å; S135-I139 VanDerWaalsContact O-CG1 3.22Å; S135-I139 WeakPolarHBondContact O-CG1 3.4Å; S135-I139 PolarHBondContact O-N 3.47Å
136	L	98.6	Very high	98.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-47.8	170.9	-170.9	147.8	0	0	0	111.2	L131 D132 N134 K138 I139 A140 P165 M167 M177 Q180 L184	L131-L136 HydrophobicContact CD1-CB 4.33Å; L131-L136 HydrophobicContact CD2-CB 4.02Å; L131-L136 HydrophobicContact CD2-CD1 3.92Å; L131-L136 HydrophobicContact CD2-CG 4.12Å; L131-L136 HydrophobicContact CG-CB 3.97Å; L131-L136 HydrophobicContact CG-CD1 4.34Å; D132-L136 VanDerWaalsContact O-CB 3.24Å; D132-L136 WeakPolarHBondContact O-CB 3.35Å; D132-L136 PolarHBondContact O-N 3.5Å; N134-L136 VanDerWaalsContact C-N 3.33Å; L136-K138 VanDerWaalsContact C-N 3.34Å; L136-K138 PolarHBondContact O-N 2.7Å; L136-I139 PolarHBondContact O-N 3.2Å; L136-A140 WeakPolarHBondContact O-CB 3.31Å; L136-A140 PolarHBondContact O-N 3.4Å; L136-P165 HydrophobicContact CD1-CB 4.44Å; L136-M167 HydrophobicContact CD1-CE 4.26Å; L136-M177 HydrophobicContact CD1-CE 3.46Å; L136-M177 VanDerWaalsContact CD1-CE 3.46Å; L136-M177 HydrophobicContact CD1-SD 4.23Å; L136-M177 HydrophobicContact CD2-CE 4.15Å; L136-M177 HydrophobicContact CD2-SD 4.15Å; L136-M177 HydrophobicContact CG-CE 4.5Å; L136-Q180 HydrophobicContact CD2-CB 3.29Å; L136-Q180 HydrophobicContact CD2-CG 4.17Å; L136-L184 HydrophobicContact CD1-CD2 4.41Å; L136-L184 HydrophobicContact CG-CD2 4.18Å
137	A	98.5	Very high	98.3	Very high	25 Å²	25	30.7 Å²	30.7	21%	0.207	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-40.3	176.6	0	0	0	0	0	112.2	A133 N134 N141	A133-A137 VanDerWaalsContact O-CB 3.29Å; A133-A137 WeakPolarHBondContact O-CB 3.38Å; A133-A137 PolarHBondContact O-N 3.03Å; N134-A137 PolarHBondContact O-N 3.44Å; A137-N141 PolarHBondContact O-N 3.26Å; A137-N141 VanDerWaalsContact O-N 3.12Å; A137-N141 PolarHBondContact O-ND2 2.85Å
138	K	98.7	Very high	98.3	Very high	31 Å²	31	30.7 Å²	30.7	14%	0.135	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-51.3	175.2	-75.6	176.7	172.7	-164.7	0	111.7	N134 S135 L136 A140 N141 G142 L143 D145 T149	N134-K138 WeakPolarHBondContact O-CG 3.4Å; N134-K138 PolarHBondContact O-N 3.24Å; S135-K138 PolarHBondContact O-N 3Å; L136-K138 VanDerWaalsContact C-N 3.34Å; L136-K138 PolarHBondContact O-N 2.7Å; K138-A140 VanDerWaalsContact C-N 3.35Å; K138-A140 PolarHBondContact O-N 2.82Å; K138-N141 CarbonylContact O-C 3.58Å; K138-N141 PolarHBondContact O-N 3.31Å; K138-N141 VanDerWaalsContact O-N 3.13Å; K138-G142 PolarHBondContact O-N 3.43Å; K138-L143 HydrophobicContact CB-CB 3.88Å; K138-L143 HydrophobicContact CG-CB 4Å; K138-L143 HydrophobicContact CG-CD1 4.04Å; K138-L143 PolarHBondContact O-N 3.29Å; K138-D145 WeakPolarHBondContact CE-OD1 3.44Å; K138-D145 WeakPolarHBondContact CE-OD2 3.16Å; K138-D145 IonicContact NZ-OD1 2.7Å; K138-D145 PolarHBondContact NZ-OD1 2.82Å; K138-D145 IonicContact NZ-OD2 2.72Å; K138-D145 PolarHBondContact NZ-OD2 2.79Å; K138-T149 HydrophobicContact CB-CG2 4.29Å; K138-T149 HydrophobicContact CD-CG2 4.44Å
139	I	98.7	Very high	98.3	Very high	15 Å²	15	30.7 Å²	30.7	8%	0.077	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-47.5	178.9	-67.9	163	0	0	0	110.4	L128 L131 S135 L136 N141 G142 T149 V152 L184 L188 F190	L128-I139 HydrophobicContact CD1-CD1 3.91Å; L131-I139 HydrophobicContact CD1-CD1 4.01Å; S135-I139 WeakPolarHBondContact O-CB 3.47Å; S135-I139 WeakPolarHBondContact O-CD1 3.48Å; S135-I139 VanDerWaalsContact O-CG1 3.22Å; S135-I139 WeakPolarHBondContact O-CG1 3.4Å; S135-I139 PolarHBondContact O-N 3.47Å; L136-I139 PolarHBondContact O-N 3.2Å; I139-N141 PolarHBondContact O-N 3.38Å; I139-G142 PolarHBondContact O-N 2.89Å; I139-T149 HydrophobicContact CG1-CG2 4.45Å; I139-V152 HydrophobicContact CD1-CB 4.46Å; I139-V152 HydrophobicContact CD1-CG1 4.01Å; I139-V152 HydrophobicContact CD1-CG2 4.32Å; I139-V152 HydrophobicContact CG1-CB 4.39Å; I139-V152 HydrophobicContact CG1-CG1 3.92Å; I139-V152 HydrophobicContact CG2-CG1 3.8Å; I139-L184 HydrophobicContact CB-CD1 4.38Å; I139-L184 HydrophobicContact CG2-CD1 3.86Å; I139-L184 HydrophobicContact CG2-CG 4.13Å; I139-L188 HydrophobicContact CG2-CD1 3.77Å; I139-F190 HydrophobicContact CG2-CE2 4.07Å
140	A	98.5	Very high	98.2	Very high	16 Å²	16	32.1 Å²	32.1	13%	0.132	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-24.4	-180	0	0	0	0	0	113.8	L136 K138 Q180 T183 L184	L136-A140 WeakPolarHBondContact O-CB 3.31Å; L136-A140 PolarHBondContact O-N 3.4Å; K138-A140 VanDerWaalsContact C-N 3.35Å; K138-A140 PolarHBondContact O-N 2.82Å; A140-Q180 HydrophobicContact CB-CB 3.63Å; A140-Q180 HydrophobicContact CB-CG 3.73Å; A140-T183 HydrophobicContact CB-CG2 4.34Å; A140-L184 HydrophobicContact CB-CD1 3.83Å
141	N	98.3	Very high	98.2	Very high	111 Å²	111	32.1 Å²	32.1	59%	0.594	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.4	6	176.6	-68.1	-76.5	0	0	0	113.1	A137 K138 I139 L143	A137-N141 PolarHBondContact O-N 3.26Å; A137-N141 VanDerWaalsContact O-N 3.12Å; A137-N141 PolarHBondContact O-ND2 2.85Å; K138-N141 CarbonylContact O-C 3.58Å; K138-N141 PolarHBondContact O-N 3.31Å; K138-N141 VanDerWaalsContact O-N 3.13Å; I139-N141 PolarHBondContact O-N 3.38Å; N141-L143 VanDerWaalsContact C-N 3.29Å; N141-L143 HydrophobicContact CB-CG 4.48Å; N141-L143 PolarHBondContact O-N 2.79Å
142	G	98.1	Very high	98.2	Very high	31 Å²	31	32.5 Å²	32.5	32%	0.32	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	17.2	179.5	0	0	0	0	0	115.2	K138 I139	K138-G142 PolarHBondContact O-N 3.43Å; I139-G142 PolarHBondContact O-N 2.89Å
143	L	98.6	Very high	98.3	Very high	96 Å²	96	39.2 Å²	39.2	50%	0.503	22%	0.217	S	C	.	.			trans	-74.2	131.8	173.5	-60.8	178.3	0	0	0	110.1	K138 N141	K138-L143 HydrophobicContact CB-CB 3.88Å; K138-L143 HydrophobicContact CG-CB 4Å; K138-L143 HydrophobicContact CG-CD1 4.04Å; K138-L143 PolarHBondContact O-N 3.29Å; N141-L143 VanDerWaalsContact C-N 3.29Å; N141-L143 HydrophobicContact CB-CG 4.48Å; N141-L143 PolarHBondContact O-N 2.79Å
144	C	97.7	Very high	98.3	Very high	58 Å²	58	40.2 Å²	40.2	39%	0.392	23%	0.226	S	C	.	.			trans	-135.9	64.6	-177.7	57.9	0	0	0	0	111.2	T149 C150 R153	C144-T149 WeakPolarHBondContact CA-OG1 3.33Å; C144-C150 PolarHBondContact O-SG 3.3Å; C144-R153 HydrophobicContact CB-CB 3.84Å; C144-R153 HydrophobicContact CB-CG 4.1Å
145	D	96.8	Very high	98.3	Very high	105 Å²	105	37.1 Å²	37.1	56%	0.561	21%	0.207	S	C	*	.			trans	-99.1	6.7	-172.6	66.3	-15	0	0	0	113.9	K138 T149	K138-D145 WeakPolarHBondContact CE-OD1 3.44Å; K138-D145 WeakPolarHBondContact CE-OD2 3.16Å; K138-D145 IonicContact NZ-OD1 2.7Å; K138-D145 PolarHBondContact NZ-OD1 2.82Å; K138-D145 IonicContact NZ-OD2 2.72Å; K138-D145 PolarHBondContact NZ-OD2 2.79Å; D145-T149 PolarHBondContact N-OG1 3.33Å
146	N	97.8	Very high	98.3	Very high	21 Å²	21	39.3 Å²	39.3	11%	0.112	22%	0.218	C	C	.	.	S	Bend	trans	-146.6	167.7	174.6	64.4	44.2	0	0	0	110.7	D100 L148 T149 C150	D100-N146 WeakPolarHBondContact OD1-CB 3.46Å; D100-N146 WeakPolarHBondContact OD2-CB 3.31Å; N146-L148 VanDerWaalsContact C-N 3.34Å; N146-L148 PolarHBondContact O-N 2.99Å; N146-L148 PolarHBondContact OD1-N 3.21Å; N146-T149 VanDerWaalsContact CG-OG1 3.3Å; N146-T149 PolarHBondContact N-OG1 3.31Å; N146-T149 VanDerWaalsContact N-OG1 3.15Å; N146-T149 PolarHBondContact O-N 2.85Å; N146-T149 PolarHBondContact O-OG1 2.77Å; N146-T149 WeakPolarHBondContact OD1-CB 3.48Å; N146-T149 WeakPolarHBondContact OD1-CG2 3.12Å; N146-T149 PolarHBondContact OD1-N 3.22Å; N146-T149 PolarHBondContact OD1-OG1 3.49Å; N146-C150 WeakPolarHBondContact O-CB 3.44Å; N146-C150 PolarHBondContact O-N 3.46Å; N146-C150 PolarHBondContact O-SG 2.92Å
147	L	97.9	Very high	98.1	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-55.6	-47.3	-175.1	173.1	60	0	0	0	112.1	V79 R99 D100 E103 I115 H116 T149 C150 V151	V79-L147 HydrophobicContact CG1-CB 4.33Å; V79-L147 HydrophobicContact CG1-CD2 3.81Å; V79-L147 HydrophobicContact CG1-CG 3.67Å; R99-L147 WeakPolarHBondContact O-CD2 3.31Å; D100-L147 VanDerWaalsContact OD1-CB 3.31Å; D100-L147 WeakPolarHBondContact OD1-CB 3.45Å; D100-L147 PolarHBondContact OD1-N 3.15Å; E103-L147 HydrophobicContact CB-CD1 4.33Å; E103-L147 WeakPolarHBondContact OE2-CD1 3.32Å; I115-L147 HydrophobicContact CG2-CD1 4.14Å; I115-L147 HydrophobicContact CG2-CD2 4.47Å; H116-L147 HydrophobicContact CB-CD1 3.84Å; L147-T149 PolarHBondContact O-N 3.45Å; L147-C150 WeakPolarHBondContact O-CB 3.37Å; L147-C150 PolarHBondContact O-N 2.93Å; L147-V151 HydrophobicContact CD1-CG2 4.24Å; L147-V151 WeakPolarHBondContact O-CG2 3.38Å; L147-V151 PolarHBondContact O-N 3.29Å
148	L	98.7	Very high	98	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-48.8	-179.5	-175.5	151.9	0	0	0	111.3	T49 V79 T81 L128 N146 C150 V151 V152	T49-L148 HydrophobicContact CG2-CD1 3.81Å; T49-L148 HydrophobicContact CG2-CD2 4.21Å; V79-L148 HydrophobicContact CG1-CB 3.85Å; V79-L148 HydrophobicContact CG1-CG 4.49Å; T81-L148 HydrophobicContact CG2-CB 4.19Å; T81-L148 HydrophobicContact CG2-CD1 4.17Å; L128-L148 HydrophobicContact CD2-CD1 4.38Å; L128-L148 HydrophobicContact CD2-CD2 4.13Å; L128-L148 HydrophobicContact CD2-CG 4.41Å; N146-L148 VanDerWaalsContact C-N 3.34Å; N146-L148 PolarHBondContact O-N 2.99Å; N146-L148 PolarHBondContact OD1-N 3.21Å; L148-C150 VanDerWaalsContact C-N 3.34Å; L148-V151 PolarHBondContact O-N 3.38Å; L148-V152 HydrophobicContact CD2-CG2 4.19Å; L148-V152 WeakPolarHBondContact O-CG2 3.46Å; L148-V152 PolarHBondContact O-N 2.91Å
149	T	98.5	Very high	97.9	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-70.3	-30.5	-178.9	54.5	0	0	0	0	112.2	K138 I139 C144 D145 N146 L147 V152 R153	K138-T149 HydrophobicContact CB-CG2 4.29Å; K138-T149 HydrophobicContact CD-CG2 4.44Å; I139-T149 HydrophobicContact CG1-CG2 4.45Å; C144-T149 WeakPolarHBondContact CA-OG1 3.33Å; D145-T149 PolarHBondContact N-OG1 3.33Å; N146-T149 VanDerWaalsContact CG-OG1 3.3Å; N146-T149 PolarHBondContact N-OG1 3.31Å; N146-T149 VanDerWaalsContact N-OG1 3.15Å; N146-T149 PolarHBondContact O-N 2.85Å; N146-T149 PolarHBondContact O-OG1 2.77Å; N146-T149 WeakPolarHBondContact OD1-CB 3.48Å; N146-T149 WeakPolarHBondContact OD1-CG2 3.12Å; N146-T149 PolarHBondContact OD1-N 3.22Å; N146-T149 PolarHBondContact OD1-OG1 3.49Å; L147-T149 PolarHBondContact O-N 3.45Å; T149-V152 PolarHBondContact O-N 2.99Å; T149-R153 VanDerWaalsContact O-CB 3.22Å; T149-R153 WeakPolarHBondContact O-CB 3.39Å; T149-R153 PolarHBondContact O-N 2.77Å
150	C	98.4	Very high	97.9	Very high	30 Å²	30	49.4 Å²	49.4	20%	0.203	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-45.1	168.9	-72.4	0	0	0	0	112.4	H116 C144 N146 L147 L148 V152 R153 A154	H116-C150 HydrophobicContact CB-CB 3.89Å; C144-C150 PolarHBondContact O-SG 3.3Å; N146-C150 WeakPolarHBondContact O-CB 3.44Å; N146-C150 PolarHBondContact O-N 3.46Å; N146-C150 PolarHBondContact O-SG 2.92Å; L147-C150 WeakPolarHBondContact O-CB 3.37Å; L147-C150 PolarHBondContact O-N 2.93Å; L148-C150 VanDerWaalsContact C-N 3.34Å; C150-V152 PolarHBondContact O-N 2.92Å; C150-R153 PolarHBondContact O-N 3.15Å; C150-A154 PolarHBondContact O-N 3.31Å; C150-A154 VanDerWaalsContact O-N 3.08Å
151	V	98.6	Very high	97.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-48.1	175.4	172.5	0	0	0	0	110.6	L45 H116 L119 M126 L147 L148 R153 A154 W155	L45-V151 HydrophobicContact CD2-CG1 3.77Å; H116-V151 HydrophobicContact CB-CG2 3.65Å; L119-V151 HydrophobicContact CB-CG2 4.27Å; L119-V151 HydrophobicContact CD1-CG2 4.11Å; M126-V151 HydrophobicContact CE-CG1 4.08Å; M126-V151 HydrophobicContact SD-CG1 4.1Å; L147-V151 HydrophobicContact CD1-CG2 4.24Å; L147-V151 WeakPolarHBondContact O-CG2 3.38Å; L147-V151 PolarHBondContact O-N 3.29Å; L148-V151 PolarHBondContact O-N 3.38Å; V151-R153 VanDerWaalsContact C-N 3.35Å; V151-R153 PolarHBondContact O-N 3.13Å; V151-A154 CarbonylContact O-C 3.47Å; V151-A154 PolarHBondContact O-N 3.26Å; V151-W155 HydrophobicContact CG1-CE3 4.05Å; V151-W155 HydrophobicContact CG1-CZ3 4.25Å; V151-W155 PolarHBondContact O-N 3.08Å; V151-W155 VanDerWaalsContact O-N 3.07Å
152	V	98.7	Very high	97.9	Very high	8 Å²	8	44.9 Å²	44.9	5%	0.048	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-39.6	-179.6	177	0	0	0	0	111.2	M126 L128 I139 L148 T149 C150 A154 W155 L161 F190	M126-V152 HydrophobicContact CE-CG2 3.97Å; M126-V152 HydrophobicContact SD-CG2 4.03Å; L128-V152 HydrophobicContact CD1-CG2 4.21Å; L128-V152 HydrophobicContact CD2-CG2 4.19Å; I139-V152 HydrophobicContact CD1-CB 4.46Å; I139-V152 HydrophobicContact CD1-CG1 4.01Å; I139-V152 HydrophobicContact CD1-CG2 4.32Å; I139-V152 HydrophobicContact CG1-CB 4.39Å; I139-V152 HydrophobicContact CG1-CG1 3.92Å; I139-V152 HydrophobicContact CG2-CG1 3.8Å; L148-V152 HydrophobicContact CD2-CG2 4.19Å; L148-V152 WeakPolarHBondContact O-CG2 3.46Å; L148-V152 PolarHBondContact O-N 2.91Å; T149-V152 PolarHBondContact O-N 2.99Å; C150-V152 PolarHBondContact O-N 2.92Å; V152-A154 VanDerWaalsContact C-N 3.31Å; V152-A154 PolarHBondContact O-N 2.97Å; V152-W155 WeakPolarHBondContact O-CB 3.38Å; V152-W155 PolarHBondContact O-N 3.35Å; V152-L161 HydrophobicContact CG1-CD1 4.49Å; V152-L161 HydrophobicContact CG2-CD1 4.5Å; V152-F190 HydrophobicContact CG1-CE2 3.71Å; V152-F190 HydrophobicContact CG1-CZ 3.82Å
153	R	98.3	Very high	98	Very high	160 Å²	160	43.4 Å²	43.4	60%	0.604	24%	0.244	S	C	*	.	H	α-helix	trans	-64.2	-36.6	179.5	-176.1	65.2	-178.1	116.3	-3.6	112.7	C144 T149 C150 V151	C144-R153 HydrophobicContact CB-CB 3.84Å; C144-R153 HydrophobicContact CB-CG 4.1Å; T149-R153 VanDerWaalsContact O-CB 3.22Å; T149-R153 WeakPolarHBondContact O-CB 3.39Å; T149-R153 PolarHBondContact O-N 2.77Å; C150-R153 PolarHBondContact O-N 3.15Å; V151-R153 VanDerWaalsContact C-N 3.35Å; V151-R153 PolarHBondContact O-N 3.13Å
154	A	98.2	Very high	98	Very high	37 Å²	37	38.8 Å²	38.8	31%	0.306	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	9.3	178.4	0	0	0	0	0	113.3	I117 C150 V151 V152	I117-A154 HydrophobicContact CD1-CB 3.96Å; C150-A154 PolarHBondContact O-N 3.31Å; C150-A154 VanDerWaalsContact O-N 3.08Å; V151-A154 CarbonylContact O-C 3.47Å; V151-A154 PolarHBondContact O-N 3.26Å; V152-A154 VanDerWaalsContact C-N 3.31Å; V152-A154 PolarHBondContact O-N 2.97Å
155	W	98.5	Very high	98	Very high	26 Å²	26	36 Å²	36	10%	0.098	20%	0.201	C	C	.	.			trans	-62.9	141.5	-173.6	-168	-105.5	0	0	0	112	L45 R120 A123 M126 V151 V152 S157 K159 L161	L45-W155 HydrophobicContact CD2-CZ3 4.37Å; R120-W155 HydrophobicContact CB-CE3 4.39Å; R120-W155 HydrophobicContact CG-CE3 4.02Å; R120-W155 HydrophobicContact CG-CZ3 4.4Å; A123-W155 HydrophobicContact CB-CH2 3.57Å; A123-W155 HydrophobicContact CB-CZ3 3.99Å; M126-W155 HydrophobicContact CB-CE3 4.44Å; M126-W155 HydrophobicContact CB-CH2 3.43Å; M126-W155 VanDerWaalsContact CB-CH2 3.43Å; M126-W155 HydrophobicContact CB-CZ2 3.57Å; M126-W155 HydrophobicContact CB-CZ3 3.9Å; M126-W155 HydrophobicContact SD-CE3 4.11Å; M126-W155 HydrophobicContact SD-CZ3 4.14Å; V151-W155 HydrophobicContact CG1-CE3 4.05Å; V151-W155 HydrophobicContact CG1-CZ3 4.25Å; V151-W155 PolarHBondContact O-N 3.08Å; V151-W155 VanDerWaalsContact O-N 3.07Å; V152-W155 WeakPolarHBondContact O-CB 3.38Å; V152-W155 PolarHBondContact O-N 3.35Å; W155-S157 PolarHBondContact O-N 2.88Å; W155-K159 HydrophobicContact CZ2-CB 3.76Å; W155-K159 HydrophobicContact CZ2-CD 4.36Å; W155-K159 PolarHBondContact NE1-O 2.92Å; W155-L161 HydrophobicContact CD2-CD1 4.11Å; W155-L161 HydrophobicContact CG-CD1 3.93Å
156	D	97.5	Very high	98	Very high	48 Å²	48	31.2 Å²	31.2	26%	0.257	18%	0.176	S	C	.	.			trans	-82.9	113.9	176.9	179.2	-10.3	0	0	0	109.4	S158 K159	D156-S158 PolarHBondContact O-N 2.75Å; D156-S158 VanDerWaalsContact O-N 3.1Å; D156-S158 WeakPolarHBondContact OD1-CB 3.32Å; D156-S158 PolarHBondContact OD1-N 3.38Å; D156-S158 PolarHBondContact OD1-OG 2.68Å; D156-S158 PolarHBondContact OD2-OG 3.14Å; D156-K159 HydrophobicContact CB-CD 4.17Å; D156-K159 HydrophobicContact CB-CG 4.2Å; D156-K159 WeakPolarHBondContact O-CB 3.46Å; D156-K159 PolarHBondContact O-N 2.81Å
157	S	95.7	Very high	98	Very high	114 Å²	114	31 Å²	31	80%	0.797	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-13.8	-177	58.4	0	0	0	0	114	W155 K159	W155-S157 PolarHBondContact O-N 2.88Å; S157-K159 PolarHBondContact O-N 3.31Å
158	S	96.1	Very high	97.9	Very high	96 Å²	96	32.5 Å²	32.5	67%	0.671	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.4	170.9	70.4	0	0	0	0	113.1	D156	D156-S158 PolarHBondContact O-N 2.75Å; D156-S158 VanDerWaalsContact O-N 3.1Å; D156-S158 WeakPolarHBondContact OD1-CB 3.32Å; D156-S158 PolarHBondContact OD1-N 3.38Å; D156-S158 PolarHBondContact OD1-OG 2.68Å; D156-S158 PolarHBondContact OD2-OG 3.14Å
159	K	97.4	Very high	97.7	Very high	35 Å²	35	33.1 Å²	33.1	15%	0.152	19%	0.186	C	C	.	.	S	Bend	trans	-101.4	131.6	-179.3	-58.3	-176.5	-176.9	-172.1	0	110.8	R120 R121 A123 W155 D156 S157 L161	R120-K159 PolarHBondContact O-NZ 3.48Å; R121-K159 PolarHBondContact O-NZ 3.38Å; A123-K159 WeakPolarHBondContact O-CD 3.41Å; A123-K159 WeakPolarHBondContact O-CE 3.36Å; A123-K159 PolarHBondContact O-NZ 3.08Å; W155-K159 HydrophobicContact CZ2-CB 3.76Å; W155-K159 HydrophobicContact CZ2-CD 4.36Å; W155-K159 PolarHBondContact NE1-O 2.92Å; D156-K159 HydrophobicContact CB-CD 4.17Å; D156-K159 HydrophobicContact CB-CG 4.2Å; D156-K159 WeakPolarHBondContact O-CB 3.46Å; D156-K159 PolarHBondContact O-N 2.81Å; S157-K159 PolarHBondContact O-N 3.31Å; K159-L161 PolarHBondContact O-N 3.42Å
160	P	97.8	Very high	97.5	Very high	38 Å²	38	41.4 Å²	41.4	25%	0.247	22%	0.219	C	C	.	.			trans	-64.5	130.8	-178.1	25.4	-32.8	0	0	0	111.5	A125 M126 Y162 L223	A125-P160 WeakPolarHBondContact CA-O 3.48Å; A125-P160 HydrophobicContact CB-CG 3.82Å; M126-P160 PolarHBondContact N-O 3.4Å; P160-Y162 HydrophobicContact CB-CD2 4.48Å; P160-Y162 HydrophobicContact CB-CE2 3.99Å; P160-L223 HydrophobicContact CB-CD2 4.38Å; P160-L223 HydrophobicContact CG-CD2 4.32Å
161	L	98.8	Very high	97.4	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.4	169.2	-167.8	155.6	0	0	0	109.2	M126 L128 V152 W155 K159 F190 R191	M126-L161 HydrophobicContact CB-CD1 4.14Å; M126-L161 HydrophobicContact CB-CG 3.99Å; M126-L161 HydrophobicContact CG-CD1 4.2Å; M126-L161 HydrophobicContact CG-CG 4.24Å; M126-L161 CarbonylContact O-C 3.45Å; M126-L161 VanDerWaalsContact O-CA 3.31Å; M126-L161 WeakPolarHBondContact O-CA 3.48Å; M126-L161 HydrophobicContact SD-CD1 3.7Å; M126-L161 HydrophobicContact SD-CG 4.37Å; L128-L161 HydrophobicContact CD1-CD2 4.09Å; L128-L161 HydrophobicContact CG-CD2 4.22Å; V152-L161 HydrophobicContact CG1-CD1 4.49Å; V152-L161 HydrophobicContact CG2-CD1 4.5Å; W155-L161 HydrophobicContact CD2-CD1 4.11Å; W155-L161 HydrophobicContact CG-CD1 3.93Å; K159-L161 PolarHBondContact O-N 3.42Å; L161-F190 HydrophobicContact CB-CD1 3.83Å; L161-F190 HydrophobicContact CB-CE1 4.08Å; L161-F190 HydrophobicContact CB-CG 4.28Å; L161-F190 HydrophobicContact CD1-CD1 4.35Å; L161-F190 HydrophobicContact CD1-CE1 3.93Å; L161-F190 HydrophobicContact CD1-CE2 4.12Å; L161-F190 HydrophobicContact CD1-CZ 3.8Å; L161-F190 HydrophobicContact CD2-CB 4.09Å; L161-F190 HydrophobicContact CD2-CD1 4.08Å; L161-F190 HydrophobicContact CD2-CD2 3.69Å; L161-F190 HydrophobicContact CD2-CE1 4.42Å; L161-F190 HydrophobicContact CD2-CE2 4.04Å; L161-F190 HydrophobicContact CD2-CG 3.71Å; L161-F190 HydrophobicContact CD2-CZ 4.4Å; L161-F190 HydrophobicContact CG-CD1 4.3Å; L161-F190 HydrophobicContact CG-CE1 4.37Å; L161-F190 HydrophobicContact CG-CG 4.42Å; L161-R191 PolarHBondContact O-N 2.67Å
162	Y	98.8	Very high	97.2	Very high	29 Å²	29	46.8 Å²	46.8	11%	0.114	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	151.4	172.2	-71.6	-102.8	0	0	0	110.7	M126 V127 L128 P160 R191 I193 V219 L223	M126-Y162 PolarHBondContact O-N 3.02Å; V127-Y162 CarbonylContact C-O 3.55Å; V127-Y162 VanDerWaalsContact CA-O 3.3Å; V127-Y162 WeakPolarHBondContact CA-O 3.31Å; L128-Y162 PolarHBondContact N-O 3.22Å; P160-Y162 HydrophobicContact CB-CD2 4.48Å; P160-Y162 HydrophobicContact CB-CE2 3.99Å; Y162-R191 CarbonylContact C-O 3.5Å; Y162-R191 WeakPolarHBondContact CA-O 3.14Å; Y162-R191 HydrophobicContact CD1-CB 3.52Å; Y162-R191 HydrophobicContact CD2-CB 4.44Å; Y162-R191 HydrophobicContact CE1-CB 3.51Å; Y162-R191 HydrophobicContact CE1-CG 4.28Å; Y162-R191 HydrophobicContact CE2-CB 4.38Å; Y162-R191 HydrophobicContact CG-CB 4.03Å; Y162-R191 VanDerWaalsContact OH-CD 3.3Å; Y162-R191 WeakPolarHBondContact OH-CD 3.16Å; Y162-R191 PolarHBondContact OH-NH1 3.3Å; Y162-I193 HydrophobicContact CD1-CD1 4.21Å; Y162-I193 HydrophobicContact CD1-CG1 3.94Å; Y162-V219 HydrophobicContact CD1-CG1 3.57Å; Y162-V219 HydrophobicContact CE1-CG1 3.39Å; Y162-V219 HydrophobicContact CG-CG1 4.2Å; Y162-L223 HydrophobicContact CD2-CD1 3.59Å; Y162-L223 HydrophobicContact CE2-CD1 3.3Å; Y162-L223 HydrophobicContact CE2-CD2 3.58Å; Y162-L223 HydrophobicContact CE2-CG 3.89Å
163	F	98.8	Very high	97	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	142	175.3	65.8	-83.1	0	0	0	111.7	L128 L131 P165 M181 L184 K185 F190 R191 E192 I193	L128-F163 HydrophobicContact CB-CB 3.89Å; L128-F163 HydrophobicContact CD1-CB 4.18Å; L128-F163 HydrophobicContact CG-CB 4.4Å; L128-F163 CarbonylContact O-C 3.45Å; L128-F163 WeakPolarHBondContact O-CA 3.2Å; L131-F163 HydrophobicContact CD2-CB 3.91Å; L131-F163 HydrophobicContact CD2-CD2 3.92Å; L131-F163 HydrophobicContact CD2-CG 4.2Å; F163-P165 HydrophobicContact CD2-CG 3.86Å; F163-P165 HydrophobicContact CE2-CG 3.89Å; F163-M181 HydrophobicContact CE2-CE 3.73Å; F163-M181 HydrophobicContact CE2-SD 3.4Å; F163-M181 WeakPolarHBondContact CE2-SD 3.41Å; F163-M181 HydrophobicContact CZ-CE 4.36Å; F163-M181 HydrophobicContact CZ-SD 3.43Å; F163-M181 WeakPolarHBondContact CZ-SD 3.16Å; F163-L184 HydrophobicContact CD1-CD2 4.35Å; F163-L184 HydrophobicContact CD2-CD2 4.06Å; F163-L184 HydrophobicContact CE1-CB 4.14Å; F163-L184 HydrophobicContact CE1-CD2 4.32Å; F163-L184 HydrophobicContact CE2-CD2 4.04Å; F163-L184 HydrophobicContact CG-CD2 4.21Å; F163-L184 HydrophobicContact CZ-CB 4.05Å; F163-L184 HydrophobicContact CZ-CD2 4.16Å; F163-K185 HydrophobicContact CE1-CG 4.27Å; F163-K185 HydrophobicContact CZ-CD 4.43Å; F163-K185 HydrophobicContact CZ-CG 3.93Å; F163-F190 HydrophobicContact CD1-CB 3.68Å; F163-F190 HydrophobicContact CE1-CB 3.66Å; F163-R191 WeakPolarHBondContact CD1-O 3.32Å; F163-R191 PolarHBondContact N-O 2.98Å; F163-E192 HydrophobicContact CE1-CB 4.06Å; F163-E192 HydrophobicContact CE2-CB 4.02Å; F163-E192 HydrophobicContact CE2-CG 3.94Å; F163-E192 HydrophobicContact CZ-CB 3.6Å; F163-E192 HydrophobicContact CZ-CG 4.02Å; F163-I193 PolarHBondContact O-N 2.88Å
164	C	98.6	Very high	96.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	92.8	-178	-50.7	0	0	0	0	108.1	L128 A129 L131 M210 I216	L128-C164 PolarHBondContact O-N 3.29Å; A129-C164 HydrophobicContact CB-CB 4.14Å; L131-C164 PolarHBondContact N-O 3.25Å; C164-M210 HydrophobicContact CB-CG 3.82Å; C164-M210 HydrophobicContact CB-SD 4.33Å; C164-I216 HydrophobicContact CB-CD1 4.37Å
165	P	98.3	Very high	96.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	146.3	179.1	-12.5	24.1	0	0	0	111	L131 L136 F163 M167 W172 M177 M181 I193 C195 M210	L131-P165 CarbonylContact O-C 3.5Å; L131-P165 VanDerWaalsContact O-CA 3.29Å; L131-P165 WeakPolarHBondContact O-CA 3.46Å; L136-P165 HydrophobicContact CD1-CB 4.44Å; F163-P165 HydrophobicContact CD2-CG 3.86Å; F163-P165 HydrophobicContact CE2-CG 3.89Å; P165-M167 HydrophobicContact CB-CE 4.01Å; P165-W172 HydrophobicContact CB-CZ3 3.85Å; P165-W172 HydrophobicContact CG-CZ3 4.07Å; P165-M177 HydrophobicContact CB-CE 4.49Å; P165-M181 HydrophobicContact CG-CE 3.65Å; P165-I193 WeakPolarHBondContact CD-O 3.29Å; P165-C195 PolarHBondContact O-SG 2.88Å; P165-M210 WeakPolarHBondContact O-CA 3.16Å
166	A	97.6	Very high	96.7	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.025	29%	0.293	C	S	.	.			trans	-151.5	103.6	178.6	0	0	0	0	0	111	S51 A53 P130 L131 G208 M210	S51-A166 WeakPolarHBondContact OG-CB 3.45Å; S51-A166 PolarHBondContact OG-O 3.14Å; S51-A166 VanDerWaalsContact OG-O 3.14Å; A53-A166 HydrophobicContact CB-CB 3.88Å; P130-A166 HydrophobicContact CB-CB 3.52Å; L131-A166 PolarHBondContact O-N 2.86Å; A166-G208 WeakPolarHBondContact CA-O 3.05Å; A166-M210 HydrophobicContact CB-CB 3.76Å; A166-M210 HydrophobicContact CB-CG 4.33Å
167	M	96.4	Very high	96.6	Very high	16 Å²	16	51.5 Å²	51.5	8%	0.079	28%	0.282	C	S	.	.			trans	-154.1	170	-174.5	63.3	-167.8	76.3	0	0	112.3	A133 L136 P165 M171 W172 M177 G208	A133-M167 HydrophobicContact CB-CB 4.17Å; A133-M167 HydrophobicContact CB-CE 3.95Å; A133-M167 HydrophobicContact CB-SD 3.8Å; L136-M167 HydrophobicContact CD1-CE 4.26Å; P165-M167 HydrophobicContact CB-CE 4.01Å; M167-M171 HydrophobicContact CB-CB 4.09Å; M167-M171 HydrophobicContact CB-SD 4.19Å; M167-M171 HydrophobicContact CG-CB 4.05Å; M167-M171 HydrophobicContact SD-CB 4.02Å; M167-W172 HydrophobicContact CE-CE3 4.47Å; M167-W172 HydrophobicContact CG-CB 4.14Å; M167-W172 HydrophobicContact CG-CE3 4.46Å; M167-W172 HydrophobicContact SD-CB 4.4Å; M167-W172 HydrophobicContact SD-CE3 4.27Å; M167-M177 HydrophobicContact CE-CE 3.95Å; M167-M177 HydrophobicContact CE-SD 3.61Å; M167-M177 HydrophobicContact SD-SD 3.6Å; M167-G208 PolarHBondContact N-O 2.84Å; M167-G208 CarbonylContact O-C 3.26Å; M167-G208 VanDerWaalsContact O-C 3.26Å; M167-G208 WeakPolarHBondContact O-CA 3.4Å
168	N	96.2	Very high	96.5	Very high	38 Å²	38	55.2 Å²	55.2	20%	0.203	28%	0.28	C	S	.	.			trans	-63.3	149.6	173.3	170.2	-86.2	0	0	0	111.5	Y170 M171 W172 C202 D204	N168-Y170 VanDerWaalsContact C-N 3.3Å; N168-Y170 PolarHBondContact O-N 3.08Å; N168-Y170 WeakPolarHBondContact OD1-CB 3.4Å; N168-Y170 PolarHBondContact OD1-N 3.27Å; N168-M171 HydrophobicContact CB-CG 4.04Å; N168-M171 HydrophobicContact CB-SD 4.05Å; N168-M171 WeakPolarHBondContact O-CA 3.41Å; N168-M171 WeakPolarHBondContact O-CB 3.3Å; N168-M171 PolarHBondContact O-N 3.48Å; N168-W172 PolarHBondContact O-N 3.37Å; N168-C202 PolarHBondContact ND2-SG 3.21Å; N168-D204 PolarHBondContact ND2-OD2 3.49Å
169	T	94.5	Very high	96.6	Very high	14 Å²	14	57.5 Å²	57.5	9%	0.086	28%	0.278	C	S	.	.	H	α-helix	trans	-54.1	-41	-179.6	-51.7	0	0	0	0	113.6	M171 W172 N173 L200 L207	T169-M171 VanDerWaalsContact C-N 3.33Å; T169-M171 PolarHBondContact O-N 2.93Å; T169-W172 WeakPolarHBondContact O-CB 3.16Å; T169-W172 PolarHBondContact O-N 3.23Å; T169-N173 WeakPolarHBondContact O-CB 3.24Å; T169-N173 VanDerWaalsContact O-CG 3.22Å; T169-N173 PolarHBondContact O-N 2.98Å; T169-N173 PolarHBondContact O-ND2 3.24Å; T169-L200 VanDerWaalsContact OG1-CD1 3.27Å; T169-L200 WeakPolarHBondContact OG1-CD1 3.48Å; T169-L207 VanDerWaalsContact CA-O 3.3Å; T169-L207 WeakPolarHBondContact CA-O 3.42Å
170	Y	94.8	Very high	96.6	Very high	175 Å²	175	56.9 Å²	56.9	69%	0.686	28%	0.276	S	S	*	.	H	α-helix	trans	-70	-30.3	177.3	-67.7	-81.7	0	0	0	112.6	N168 S174	N168-Y170 VanDerWaalsContact C-N 3.3Å; N168-Y170 PolarHBondContact O-N 3.08Å; N168-Y170 WeakPolarHBondContact OD1-CB 3.4Å; N168-Y170 PolarHBondContact OD1-N 3.27Å; Y170-S174 PolarHBondContact O-N 3.41Å
171	M	95.8	Very high	96.6	Very high	98 Å²	98	56 Å²	56	48%	0.483	27%	0.268	S	S	.	.	H	α-helix	trans	-68.9	-41.7	171.6	-56.9	177.5	83.8	0	0	110.7	A133 M167 N168 T169 S174	A133-M171 HydrophobicContact CB-CE 3.38Å; A133-M171 HydrophobicContact CB-SD 4.41Å; M167-M171 HydrophobicContact CB-CB 4.09Å; M167-M171 HydrophobicContact CB-SD 4.19Å; M167-M171 HydrophobicContact CG-CB 4.05Å; M167-M171 HydrophobicContact SD-CB 4.02Å; N168-M171 HydrophobicContact CB-CG 4.04Å; N168-M171 HydrophobicContact CB-SD 4.05Å; N168-M171 WeakPolarHBondContact O-CA 3.41Å; N168-M171 WeakPolarHBondContact O-CB 3.3Å; N168-M171 PolarHBondContact O-N 3.48Å; T169-M171 VanDerWaalsContact C-N 3.33Å; T169-M171 PolarHBondContact O-N 2.93Å; M171-S174 WeakPolarHBondContact O-CB 3.24Å; M171-S174 PolarHBondContact O-N 3.21Å
172	W	95.5	Very high	96.5	Very high	44 Å²	44	59.5 Å²	59.5	17%	0.167	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-42.7	175.9	179.4	-94	0	0	0	112.2	P165 M167 N168 T169 S174 M177 M181 C195 L207	P165-W172 HydrophobicContact CB-CZ3 3.85Å; P165-W172 HydrophobicContact CG-CZ3 4.07Å; M167-W172 HydrophobicContact CE-CE3 4.47Å; M167-W172 HydrophobicContact CG-CB 4.14Å; M167-W172 HydrophobicContact CG-CE3 4.46Å; M167-W172 HydrophobicContact SD-CB 4.4Å; M167-W172 HydrophobicContact SD-CE3 4.27Å; N168-W172 PolarHBondContact O-N 3.37Å; T169-W172 WeakPolarHBondContact O-CB 3.16Å; T169-W172 PolarHBondContact O-N 3.23Å; W172-S174 PolarHBondContact O-N 2.69Å; W172-M177 HydrophobicContact CD2-CG 4.43Å; W172-M177 HydrophobicContact CE3-CE 3.94Å; W172-M177 HydrophobicContact CE3-CG 4.15Å; W172-M177 HydrophobicContact CE3-SD 4.27Å; W172-M177 HydrophobicContact CH2-CE 4.38Å; W172-M177 HydrophobicContact CZ3-CE 3.59Å; W172-M177 VanDerWaalsContact O-CB 3.24Å; W172-M177 WeakPolarHBondContact O-CB 3.38Å; W172-M177 WeakPolarHBondContact O-CG 3.19Å; W172-M181 HydrophobicContact CH2-CE 3.99Å; W172-M181 HydrophobicContact CZ3-CE 4.03Å; W172-C195 HydrophobicContact CH2-CB 4.28Å; W172-C195 HydrophobicContact CZ3-CB 4.25Å; W172-C195 WeakPolarHBondContact CZ3-SG 3.39Å; W172-L207 HydrophobicContact CD2-CG 4.42Å; W172-L207 HydrophobicContact CG-CG 4.41Å; W172-L207 HydrophobicContact CZ2-CD2 4Å; W172-L207 HydrophobicContact CZ2-CG 4.33Å
173	N	94.6	Very high	96.5	Very high	106 Å²	106	59.4 Å²	59.4	57%	0.567	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-2.8	178.8	-68.3	-18.5	0	0	0	113.7	T169	T169-N173 WeakPolarHBondContact O-CB 3.24Å; T169-N173 VanDerWaalsContact O-CG 3.22Å; T169-N173 PolarHBondContact O-N 2.98Å; T169-N173 PolarHBondContact O-ND2 3.24Å
174	S	96.1	Very high	96.5	Very high	39 Å²	39	59.4 Å²	59.4	27%	0.273	29%	0.29	S	S	.	.	S	Bend	trans	-63.5	136.9	177	179.9	0	0	0	0	110.9	Y170 M171 W172 L176 M177	Y170-S174 PolarHBondContact O-N 3.41Å; M171-S174 WeakPolarHBondContact O-CB 3.24Å; M171-S174 PolarHBondContact O-N 3.21Å; W172-S174 PolarHBondContact O-N 2.69Å; S174-L176 PolarHBondContact O-N 3.31Å; S174-L176 VanDerWaalsContact O-N 3.08Å; S174-L176 PolarHBondContact OG-N 3.01Å; S174-M177 WeakPolarHBondContact O-CB 3.29Å; S174-M177 PolarHBondContact O-N 3.4Å
175	P	95.9	Very high	96.5	Very high	115 Å²	115	63.8 Å²	63.8	75%	0.747	31%	0.309	S	S	*	.	H	α-helix	trans	-56.2	-26.9	172.5	-26.1	34.6	0	0	0	113.7	M177 Y178	P175-M177 PolarHBondContact O-N 3.41Å; P175-Y178 PolarHBondContact O-N 3.05Å
176	L	95.9	Very high	96.5	Very high	110 Å²	110	68.7 Å²	68.7	58%	0.576	34%	0.339	S	S	*	.	H	α-helix	trans	-62.3	-32.9	174.6	-66.9	174.8	0	0	0	112	S174 Y178 K179 Q180	S174-L176 PolarHBondContact O-N 3.31Å; S174-L176 VanDerWaalsContact O-N 3.08Å; S174-L176 PolarHBondContact OG-N 3.01Å; L176-Y178 VanDerWaalsContact C-N 3.34Å; L176-Y178 PolarHBondContact O-N 3.3Å; L176-K179 PolarHBondContact O-N 2.93Å; L176-Q180 WeakPolarHBondContact O-CB 3.39Å; L176-Q180 WeakPolarHBondContact O-CG 3.47Å; L176-Q180 PolarHBondContact O-N 3.49Å
177	M	95.4	Very high	96.5	Very high	9 Å²	9	75 Å²	75	4%	0.044	37%	0.371	C	S	.	.	H	α-helix	trans	-62.1	-43.5	-179.1	-170.9	63.9	-149.1	0	0	111.1	L136 P165 M167 W172 S174 P175 K179 Q180 M181	L136-M177 HydrophobicContact CD1-CE 3.46Å; L136-M177 VanDerWaalsContact CD1-CE 3.46Å; L136-M177 HydrophobicContact CD1-SD 4.23Å; L136-M177 HydrophobicContact CD2-CE 4.15Å; L136-M177 HydrophobicContact CD2-SD 4.15Å; L136-M177 HydrophobicContact CG-CE 4.5Å; P165-M177 HydrophobicContact CB-CE 4.49Å; M167-M177 HydrophobicContact CE-CE 3.95Å; M167-M177 HydrophobicContact CE-SD 3.61Å; M167-M177 HydrophobicContact SD-SD 3.6Å; W172-M177 HydrophobicContact CD2-CG 4.43Å; W172-M177 HydrophobicContact CE3-CE 3.94Å; W172-M177 HydrophobicContact CE3-CG 4.15Å; W172-M177 HydrophobicContact CE3-SD 4.27Å; W172-M177 HydrophobicContact CH2-CE 4.38Å; W172-M177 HydrophobicContact CZ3-CE 3.59Å; W172-M177 VanDerWaalsContact O-CB 3.24Å; W172-M177 WeakPolarHBondContact O-CB 3.38Å; W172-M177 WeakPolarHBondContact O-CG 3.19Å; S174-M177 WeakPolarHBondContact O-CB 3.29Å; S174-M177 PolarHBondContact O-N 3.4Å; P175-M177 PolarHBondContact O-N 3.41Å; M177-K179 PolarHBondContact O-N 2.65Å; M177-Q180 PolarHBondContact O-N 3.46Å; M177-M181 HydrophobicContact CE-CB 4.27Å; M177-M181 HydrophobicContact CE-CE 3.18Å; M177-M181 WeakPolarHBondContact O-CB 3.46Å; M177-M181 PolarHBondContact O-N 3.03Å
178	Y	93.7	Very high	96.6	Very high	192 Å²	192	76.8 Å²	76.8	75%	0.753	38%	0.381	S	S	*	.	H	α-helix	trans	-58.7	-50.4	177.6	179	-96.9	0	0	0	111.6	P175 L176 Q180 M181 D182	P175-Y178 PolarHBondContact O-N 3.05Å; L176-Y178 VanDerWaalsContact C-N 3.34Å; L176-Y178 PolarHBondContact O-N 3.3Å; Y178-Q180 PolarHBondContact O-N 3.4Å; Y178-M181 PolarHBondContact O-N 3.09Å; Y178-D182 WeakPolarHBondContact O-CB 3.43Å; Y178-D182 PolarHBondContact O-N 3.22Å
179	K	96.9	Very high	96.6	Very high	143 Å²	143	77.5 Å²	77.5	62%	0.622	40%	0.398	S	S	*	.	H	α-helix	trans	-61.8	-45.7	179.5	-176.9	-179.6	179.4	-177.8	0	111.9	L176 M177 D182 T183	L176-K179 PolarHBondContact O-N 2.93Å; M177-K179 PolarHBondContact O-N 2.65Å; K179-D182 PolarHBondContact O-N 2.72Å; K179-T183 PolarHBondContact O-N 2.74Å; K179-T183 PolarHBondContact O-OG1 3.42Å
180	Q	98.3	Very high	96.8	Very high	23 Å²	23	77.7 Å²	77.7	11%	0.107	40%	0.397	C	S	.	.	H	α-helix	trans	-70.3	-38.2	-176.9	-64.9	165.7	0.1	0	0	111.5	L136 A140 L176 M177 Y178 T183 L184	L136-Q180 HydrophobicContact CD2-CB 3.29Å; L136-Q180 HydrophobicContact CD2-CG 4.17Å; A140-Q180 HydrophobicContact CB-CB 3.63Å; A140-Q180 HydrophobicContact CB-CG 3.73Å; L176-Q180 WeakPolarHBondContact O-CB 3.39Å; L176-Q180 WeakPolarHBondContact O-CG 3.47Å; L176-Q180 PolarHBondContact O-N 3.49Å; M177-Q180 PolarHBondContact O-N 3.46Å; Y178-Q180 PolarHBondContact O-N 3.4Å; Q180-T183 WeakPolarHBondContact O-CB 3.29Å; Q180-T183 PolarHBondContact O-N 3.3Å; Q180-L184 VanDerWaalsContact O-CD1 3.24Å; Q180-L184 WeakPolarHBondContact O-CD1 3.3Å; Q180-L184 PolarHBondContact O-N 2.83Å
181	M	97.6	Very high	97	Very high	18 Å²	18	75.7 Å²	75.7	9%	0.089	39%	0.388	C	S	.	.	H	α-helix	trans	-62.3	-43.9	174.5	-175.8	59.5	76	0	0	111.8	F163 P165 W172 M177 Y178 L184 K185 E192	F163-M181 HydrophobicContact CE2-CE 3.73Å; F163-M181 HydrophobicContact CE2-SD 3.4Å; F163-M181 WeakPolarHBondContact CE2-SD 3.41Å; F163-M181 HydrophobicContact CZ-CE 4.36Å; F163-M181 HydrophobicContact CZ-SD 3.43Å; F163-M181 WeakPolarHBondContact CZ-SD 3.16Å; P165-M181 HydrophobicContact CG-CE 3.65Å; W172-M181 HydrophobicContact CH2-CE 3.99Å; W172-M181 HydrophobicContact CZ3-CE 4.03Å; M177-M181 HydrophobicContact CE-CB 4.27Å; M177-M181 HydrophobicContact CE-CE 3.18Å; M177-M181 WeakPolarHBondContact O-CB 3.46Å; M177-M181 PolarHBondContact O-N 3.03Å; Y178-M181 PolarHBondContact O-N 3.09Å; M181-L184 PolarHBondContact O-N 3.48Å; M181-K185 HydrophobicContact CG-CD 3.67Å; M181-K185 WeakPolarHBondContact O-CG 3.34Å; M181-K185 PolarHBondContact O-N 2.84Å; M181-K185 HydrophobicContact SD-CD 3.61Å; M181-K185 HydrophobicContact SD-CG 4.18Å; M181-E192 HydrophobicContact CE-CG 4.37Å; M181-E192 WeakPolarHBondContact CE-OE1 3.48Å; M181-E192 HydrophobicContact SD-CG 4.27Å
182	D	97.8	Very high	97.1	Very high	78 Å²	78	73.3 Å²	73.3	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-61.4	-42.5	174.6	-176.5	61.3	0	0	0	111.6	Y178 K179 L184 K185 T186	Y178-D182 WeakPolarHBondContact O-CB 3.43Å; Y178-D182 PolarHBondContact O-N 3.22Å; K179-D182 PolarHBondContact O-N 2.72Å; D182-L184 PolarHBondContact O-N 2.66Å; D182-K185 PolarHBondContact O-N 2.75Å; D182-T186 WeakPolarHBondContact O-CA 3.3Å; D182-T186 WeakPolarHBondContact O-CB 3.43Å; D182-T186 PolarHBondContact O-N 2.73Å; D182-T186 PolarHBondContact O-OG1 3.48Å; D182-T186 WeakPolarHBondContact OD1-CB 3.49Å; D182-T186 PolarHBondContact OD1-OG1 2.85Å
183	T	98.3	Very high	97.3	Very high	26 Å²	26	71.3 Å²	71.3	16%	0.16	37%	0.368	C	S	.	.	I	π-helix	trans	-56.7	-48.5	173.2	-58.5	0	0	0	0	111.9	A140 K179 Q180 K185 L187 L188	A140-T183 HydrophobicContact CB-CG2 4.34Å; K179-T183 PolarHBondContact O-N 2.74Å; K179-T183 PolarHBondContact O-OG1 3.42Å; Q180-T183 WeakPolarHBondContact O-CB 3.29Å; Q180-T183 PolarHBondContact O-N 3.3Å; T183-K185 PolarHBondContact O-N 2.93Å; T183-L187 HydrophobicContact CG2-CB 4.23Å; T183-L187 HydrophobicContact CG2-CD2 3.94Å; T183-L187 WeakPolarHBondContact O-CA 3.49Å; T183-L187 VanDerWaalsContact O-CB 3.3Å; T183-L187 WeakPolarHBondContact O-CB 3.34Å; T183-L187 PolarHBondContact O-N 2.83Å; T183-L187 VanDerWaalsContact O-N 3.14Å; T183-L188 PolarHBondContact O-N 3.28Å
184	L	98.5	Very high	97.4	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.359	C	S	.	.	I	π-helix	trans	-62.9	-42.1	-179.3	-91.3	67.2	0	0	0	111.9	L131 L136 I139 A140 F163 Q180 M181 D182 L188 G189 F190	L131-L184 HydrophobicContact CD2-CD2 3.85Å; L136-L184 HydrophobicContact CD1-CD2 4.41Å; L136-L184 HydrophobicContact CG-CD2 4.18Å; I139-L184 HydrophobicContact CB-CD1 4.38Å; I139-L184 HydrophobicContact CG2-CD1 3.86Å; I139-L184 HydrophobicContact CG2-CG 4.13Å; A140-L184 HydrophobicContact CB-CD1 3.83Å; F163-L184 HydrophobicContact CD1-CD2 4.35Å; F163-L184 HydrophobicContact CD2-CD2 4.06Å; F163-L184 HydrophobicContact CE1-CB 4.14Å; F163-L184 HydrophobicContact CE1-CD2 4.32Å; F163-L184 HydrophobicContact CE2-CD2 4.04Å; F163-L184 HydrophobicContact CG-CD2 4.21Å; F163-L184 HydrophobicContact CZ-CB 4.05Å; F163-L184 HydrophobicContact CZ-CD2 4.16Å; Q180-L184 VanDerWaalsContact O-CD1 3.24Å; Q180-L184 WeakPolarHBondContact O-CD1 3.3Å; Q180-L184 PolarHBondContact O-N 2.83Å; M181-L184 PolarHBondContact O-N 3.48Å; D182-L184 PolarHBondContact O-N 2.66Å; L184-L188 HydrophobicContact CD1-CD1 4.49Å; L184-L188 HydrophobicContact CG-CD1 4.45Å; L184-L188 WeakPolarHBondContact O-CB 3.32Å; L184-G189 PolarHBondContact O-N 3.39Å; L184-F190 HydrophobicContact CB-CD2 4.3Å; L184-F190 HydrophobicContact CD2-CD2 4.43Å; L184-F190 HydrophobicContact CG-CD2 4Å; L184-F190 VanDerWaalsContact O-CB 3.3Å; L184-F190 WeakPolarHBondContact O-CB 3.05Å; L184-F190 PolarHBondContact O-N 2.97Å
185	K	98.2	Very high	97.3	Very high	92 Å²	92	67.6 Å²	67.6	40%	0.4	35%	0.35	S	S	.	.	I	π-helix	trans	-81.7	-50.8	-174.6	-67.3	167.2	69.3	165.7	0	112.6	F163 M181 D182 T183 G189 E192	F163-K185 HydrophobicContact CE1-CG 4.27Å; F163-K185 HydrophobicContact CZ-CD 4.43Å; F163-K185 HydrophobicContact CZ-CG 3.93Å; M181-K185 HydrophobicContact CG-CD 3.67Å; M181-K185 WeakPolarHBondContact O-CG 3.34Å; M181-K185 PolarHBondContact O-N 2.84Å; M181-K185 HydrophobicContact SD-CD 3.61Å; M181-K185 HydrophobicContact SD-CG 4.18Å; D182-K185 PolarHBondContact O-N 2.75Å; T183-K185 PolarHBondContact O-N 2.93Å; K185-G189 VanDerWaalsContact O-CA 3.24Å; K185-G189 WeakPolarHBondContact O-CA 3.44Å; K185-G189 PolarHBondContact O-N 3.05Å; K185-E192 HydrophobicContact CD-CB 4.28Å; K185-E192 IonicContact NZ-OE2 2.69Å; K185-E192 PolarHBondContact NZ-OE2 3.29Å
186	T	97.9	Very high	97.3	Very high	103 Å²	103	64.1 Å²	64.1	63%	0.632	32%	0.324	S	S	*	.	I	π-helix	trans	-86.4	-46.7	-170.6	-54	0	0	0	0	111.5	D182	D182-T186 WeakPolarHBondContact O-CA 3.3Å; D182-T186 WeakPolarHBondContact O-CB 3.43Å; D182-T186 PolarHBondContact O-N 2.73Å; D182-T186 PolarHBondContact O-OG1 3.48Å; D182-T186 WeakPolarHBondContact OD1-CB 3.49Å; D182-T186 PolarHBondContact OD1-OG1 2.85Å
187	L	97.8	Very high	97.1	Very high	135 Å²	135	65.9 Å²	65.9	71%	0.707	33%	0.329	S	S	*	.	I	π-helix	trans	-81.6	-46	-178.8	-179.1	65.5	0	0	0	112.3	T183	T183-L187 HydrophobicContact CG2-CB 4.23Å; T183-L187 HydrophobicContact CG2-CD2 3.94Å; T183-L187 WeakPolarHBondContact O-CA 3.49Å; T183-L187 VanDerWaalsContact O-CB 3.3Å; T183-L187 WeakPolarHBondContact O-CB 3.34Å; T183-L187 PolarHBondContact O-N 2.83Å; T183-L187 VanDerWaalsContact O-N 3.14Å
188	L	97.9	Very high	96.7	Very high	55 Å²	55	70.9 Å²	70.9	29%	0.288	35%	0.351	S	S	.	.	S	Bend	trans	-90.2	-13.1	-176.5	-54.6	-179.1	0	0	0	113.6	I139 T183 L184 F190	I139-L188 HydrophobicContact CG2-CD1 3.77Å; T183-L188 PolarHBondContact O-N 3.28Å; L184-L188 HydrophobicContact CD1-CD1 4.49Å; L184-L188 HydrophobicContact CG-CD1 4.45Å; L184-L188 WeakPolarHBondContact O-CB 3.32Å; L188-F190 HydrophobicContact CB-CD1 3.87Å; L188-F190 HydrophobicContact CB-CD2 4.05Å; L188-F190 HydrophobicContact CB-CE1 3.78Å; L188-F190 HydrophobicContact CB-CE2 3.98Å; L188-F190 HydrophobicContact CB-CG 4Å; L188-F190 HydrophobicContact CB-CZ 3.84Å; L188-F190 HydrophobicContact CD1-CD2 4.1Å; L188-F190 HydrophobicContact CD1-CE2 3.56Å; L188-F190 HydrophobicContact CD1-CZ 3.87Å; L188-F190 HydrophobicContact CG-CE2 4.42Å; L188-F190 HydrophobicContact CG-CZ 4.43Å; L188-F190 WeakPolarHBondContact O-CD1 3.36Å; L188-F190 PolarHBondContact O-N 2.94Å
189	G	98	Very high	96.2	Very high	53 Å²	53	69.1 Å²	69.1	55%	0.546	35%	0.347	S	S	.	.			trans	71.8	15.6	-180	0	0	0	0	0	114.3	L184 K185	L184-G189 PolarHBondContact O-N 3.39Å; K185-G189 VanDerWaalsContact O-CA 3.24Å; K185-G189 WeakPolarHBondContact O-CA 3.44Å; K185-G189 PolarHBondContact O-N 3.05Å
190	F	98.5	Very high	95.4	Very high	17 Å²	17	63.4 Å²	63.4	8%	0.075	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-74.3	149.7	-179.5	-58.5	-14	0	0	0	111	I139 V152 L161 F163 L184 L188	I139-F190 HydrophobicContact CG2-CE2 4.07Å; V152-F190 HydrophobicContact CG1-CE2 3.71Å; V152-F190 HydrophobicContact CG1-CZ 3.82Å; L161-F190 HydrophobicContact CB-CD1 3.83Å; L161-F190 HydrophobicContact CB-CE1 4.08Å; L161-F190 HydrophobicContact CB-CG 4.28Å; L161-F190 HydrophobicContact CD1-CD1 4.35Å; L161-F190 HydrophobicContact CD1-CE1 3.93Å; L161-F190 HydrophobicContact CD1-CE2 4.12Å; L161-F190 HydrophobicContact CD1-CZ 3.8Å; L161-F190 HydrophobicContact CD2-CB 4.09Å; L161-F190 HydrophobicContact CD2-CD1 4.08Å; L161-F190 HydrophobicContact CD2-CD2 3.69Å; L161-F190 HydrophobicContact CD2-CE1 4.42Å; L161-F190 HydrophobicContact CD2-CE2 4.04Å; L161-F190 HydrophobicContact CD2-CG 3.71Å; L161-F190 HydrophobicContact CD2-CZ 4.4Å; L161-F190 HydrophobicContact CG-CD1 4.3Å; L161-F190 HydrophobicContact CG-CE1 4.37Å; L161-F190 HydrophobicContact CG-CG 4.42Å; F163-F190 HydrophobicContact CD1-CB 3.68Å; F163-F190 HydrophobicContact CE1-CB 3.66Å; L184-F190 HydrophobicContact CB-CD2 4.3Å; L184-F190 HydrophobicContact CD2-CD2 4.43Å; L184-F190 HydrophobicContact CG-CD2 4Å; L184-F190 VanDerWaalsContact O-CB 3.3Å; L184-F190 WeakPolarHBondContact O-CB 3.05Å; L184-F190 PolarHBondContact O-N 2.97Å; L188-F190 HydrophobicContact CB-CD1 3.87Å; L188-F190 HydrophobicContact CB-CD2 4.05Å; L188-F190 HydrophobicContact CB-CE1 3.78Å; L188-F190 HydrophobicContact CB-CE2 3.98Å; L188-F190 HydrophobicContact CB-CG 4Å; L188-F190 HydrophobicContact CB-CZ 3.84Å; L188-F190 HydrophobicContact CD1-CD2 4.1Å; L188-F190 HydrophobicContact CD1-CE2 3.56Å; L188-F190 HydrophobicContact CD1-CZ 3.87Å; L188-F190 HydrophobicContact CG-CE2 4.42Å; L188-F190 HydrophobicContact CG-CZ 4.43Å; L188-F190 WeakPolarHBondContact O-CD1 3.36Å; L188-F190 PolarHBondContact O-N 2.94Å
191	R	98.4	Very high	94.4	Very high	134 Å²	134	66.3 Å²	66.3	51%	0.506	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.6	-175.9	-63.9	177.8	-175.3	-177.4	0.9	110.9	L161 Y162 F163	L161-R191 PolarHBondContact O-N 2.67Å; Y162-R191 CarbonylContact C-O 3.5Å; Y162-R191 WeakPolarHBondContact CA-O 3.14Å; Y162-R191 HydrophobicContact CD1-CB 3.52Å; Y162-R191 HydrophobicContact CD2-CB 4.44Å; Y162-R191 HydrophobicContact CE1-CB 3.51Å; Y162-R191 HydrophobicContact CE1-CG 4.28Å; Y162-R191 HydrophobicContact CE2-CB 4.38Å; Y162-R191 HydrophobicContact CG-CB 4.03Å; Y162-R191 VanDerWaalsContact OH-CD 3.3Å; Y162-R191 WeakPolarHBondContact OH-CD 3.16Å; Y162-R191 PolarHBondContact OH-NH1 3.3Å; F163-R191 WeakPolarHBondContact CD1-O 3.32Å; F163-R191 PolarHBondContact N-O 2.98Å
192	E	98.3	Very high	93.4	Very high	47 Å²	47	69.4 Å²	69.4	22%	0.22	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.6	179.1	-174.9	-177.5	-172.4	0	0	111.3	F163 M181 K185	F163-E192 HydrophobicContact CE1-CB 4.06Å; F163-E192 HydrophobicContact CE2-CB 4.02Å; F163-E192 HydrophobicContact CE2-CG 3.94Å; F163-E192 HydrophobicContact CZ-CB 3.6Å; F163-E192 HydrophobicContact CZ-CG 4.02Å; M181-E192 HydrophobicContact CE-CG 4.37Å; M181-E192 WeakPolarHBondContact CE-OE1 3.48Å; M181-E192 HydrophobicContact SD-CG 4.27Å; K185-E192 HydrophobicContact CD-CB 4.28Å; K185-E192 IonicContact NZ-OE2 2.69Å; K185-E192 PolarHBondContact NZ-OE2 3.29Å
193	I	98.2	Very high	92.6	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.01	37%	0.372	C	S	.	.			trans	-102.1	105.1	156.8	-51.7	-175.5	0	0	0	105.9	Y162 F163 P165 A211 M215 I216 V219	Y162-I193 HydrophobicContact CD1-CD1 4.21Å; Y162-I193 HydrophobicContact CD1-CG1 3.94Å; F163-I193 PolarHBondContact O-N 2.88Å; P165-I193 WeakPolarHBondContact CD-O 3.29Å; I193-A211 HydrophobicContact CB-CB 4.47Å; I193-A211 HydrophobicContact CG2-CB 3.49Å; I193-A211 VanDerWaalsContact CG2-CB 3.49Å; I193-M215 HydrophobicContact CG2-CE 4.13Å; I193-M215 HydrophobicContact CG2-CG 4.01Å; I193-M215 HydrophobicContact CG2-SD 4.06Å; I193-I216 HydrophobicContact CD1-CG1 4.5Å; I193-I216 HydrophobicContact CG2-CG1 4.49Å; I193-V219 HydrophobicContact CD1-CB 3.85Å; I193-V219 HydrophobicContact CD1-CG1 3.8Å; I193-V219 HydrophobicContact CD1-CG2 4.01Å; I193-V219 HydrophobicContact CG1-CG1 4.38Å; I193-V219 HydrophobicContact CG1-CG2 4.39Å
194	P	96.8	Very high	91.8	Very high	57 Å²	57	68.9 Å²	68.9	37%	0.37	38%	0.379	S	S	.	.			trans	-67.1	150.8	-162.5	26.2	-35.6	0	0	0	112.7	A211 M215	P194-A211 WeakPolarHBondContact O-CB 3.22Å; P194-M215 HydrophobicContact CG-CE 4.03Å
195	C	95.6	Very high	91.1	Very high	11 Å²	11	74.7 Å²	74.7	7%	0.074	41%	0.41	C	S	.	.			trans	-57	160	168.6	-67.5	0	0	0	0	111.7	P165 W172 L207 A209	P165-C195 PolarHBondContact O-SG 2.88Å; W172-C195 HydrophobicContact CH2-CB 4.28Å; W172-C195 HydrophobicContact CZ3-CB 4.25Å; W172-C195 WeakPolarHBondContact CZ3-SG 3.39Å; C195-L207 HydrophobicContact CB-CD1 3.8Å; C195-L207 HydrophobicContact CB-CG 4.3Å; C195-L207 WeakPolarHBondContact O-CD1 3.32Å; C195-A209 CarbonylContact C-O 3.55Å; C195-A209 WeakPolarHBondContact CA-O 3.11Å; C195-A209 VanDerWaalsContact CB-O 3.31Å; C195-A209 WeakPolarHBondContact CB-O 3.37Å
196	I	95.2	Very high	90.7	Very high	41 Å²	41	71 Å²	71	21%	0.21	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	156.8	172	62.7	-175.1	0	0	0	110.7	K198 G208 A209 M210	I196-K198 HydrophobicContact CD1-CD 3.71Å; I196-K198 HydrophobicContact CD1-CG 4.18Å; I196-K198 HydrophobicContact CG1-CD 4.17Å; I196-K198 HydrophobicContact CG1-CG 4.16Å; I196-G208 PolarHBondContact O-N 3.14Å; I196-A209 HydrophobicContact CG1-CB 3.95Å; I196-A209 PolarHBondContact N-O 3.42Å; I196-A209 WeakPolarHBondContact O-CB 3.45Å; I196-A209 PolarHBondContact O-N 3.47Å; I196-M210 WeakPolarHBondContact CD1-O 3.15Å; I196-M210 WeakPolarHBondContact CG1-O 3.44Å
197	E	92.1	Very high	90.5	Very high	147 Å²	147	68.3 Å²	68.3	69%	0.687	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.5	171.8	-63	-168.9	169.6	0	0	110.5	G206 L207	E197-G206 WeakPolarHBondContact CA-O 3.46Å; E197-L207 HydrophobicContact CG-CB 3.9Å; E197-L207 HydrophobicContact CG-CD1 3.95Å; E197-L207 HydrophobicContact CG-CG 4.5Å
198	K	87.5	Confident	90.2	Very high	114 Å²	114	61.9 Å²	61.9	50%	0.496	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	168.3	176.1	-75.8	-170.3	172.1	168.7	0	110.7	I196 L200 G206 A209	I196-K198 HydrophobicContact CD1-CD 3.71Å; I196-K198 HydrophobicContact CD1-CG 4.18Å; I196-K198 HydrophobicContact CG1-CD 4.17Å; I196-K198 HydrophobicContact CG1-CG 4.16Å; K198-L200 PolarHBondContact O-N 2.99Å; K198-G206 PolarHBondContact N-O 2.9Å; K198-G206 PolarHBondContact O-N 3.27Å; K198-A209 HydrophobicContact CB-CB 4.1Å
199	K	82.5	Confident	90.1	Very high	156 Å²	156	60.1 Å²	60.1	68%	0.678	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	118.4	160.7	-170.9	170	-175.1	179.7	0	109.1	N205	K199-N205 VanDerWaalsContact CA-OD1 3.24Å; K199-N205 WeakPolarHBondContact CA-OD1 3.37Å; K199-N205 WeakPolarHBondContact CB-OD1 3.38Å; K199-N205 VanDerWaalsContact CG-OD1 3.29Å; K199-N205 WeakPolarHBondContact CG-OD1 3.29Å
200	L	80.3	Confident	90.1	Very high	22 Å²	22	58.4 Å²	58.4	12%	0.115	32%	0.317	C	S	.	.			trans	-83.3	163.7	-178.4	-57.9	-175.4	0	0	0	111.3	T169 K198 C202 G203 D204 A209	T169-L200 VanDerWaalsContact OG1-CD1 3.27Å; T169-L200 WeakPolarHBondContact OG1-CD1 3.48Å; K198-L200 PolarHBondContact O-N 2.99Å; L200-C202 PolarHBondContact O-N 3.28Å; L200-C202 VanDerWaalsContact O-N 3.13Å; L200-G203 PolarHBondContact O-N 2.97Å; L200-D204 WeakPolarHBondContact CB-O 3.35Å; L200-D204 HydrophobicContact CD1-CB 4.49Å; L200-D204 PolarHBondContact N-O 2.94Å; L200-A209 HydrophobicContact CD2-CB 3.69Å
201	A	76.4	Confident	90.1	Very high	85 Å²	85	57.7 Å²	57.7	70%	0.702	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.4	-180	0	0	0	0	0	113.7	V52 G203	V52-A201 HydrophobicContact CB-CB 4.4Å; V52-A201 HydrophobicContact CG1-CB 4Å; V52-A201 HydrophobicContact CG2-CB 4.34Å; A201-G203 VanDerWaalsContact C-N 3.33Å
202	C	77.8	Confident	90	Very high	82 Å²	82	53.5 Å²	53.5	55%	0.554	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.3	175.9	52	0	0	0	0	114	N168 L200	N168-C202 PolarHBondContact ND2-SG 3.21Å; L200-C202 PolarHBondContact O-N 3.28Å; L200-C202 VanDerWaalsContact O-N 3.13Å
203	G	80.3	Confident	90	Very high	38 Å²	38	52 Å²	52	39%	0.392	30%	0.3	S	S	.	.	S	Bend	trans	97.7	-18.6	-179.3	0	0	0	0	0	114.8	L200 A201	L200-G203 PolarHBondContact O-N 2.97Å; A201-G203 VanDerWaalsContact C-N 3.33Å
204	D	82.7	Confident	90	Very high	55 Å²	55	55.5 Å²	55.5	29%	0.294	33%	0.329	S	S	.	.			trans	-61.6	144.5	174.5	-70.6	-23.6	0	0	0	111.5	N168 L200	N168-D204 PolarHBondContact ND2-OD2 3.49Å; L200-D204 WeakPolarHBondContact CB-O 3.35Å; L200-D204 HydrophobicContact CD1-CB 4.49Å; L200-D204 PolarHBondContact N-O 2.94Å
205	N	83.8	Confident	90	Very high	122 Å²	122	56.2 Å²	56.2	65%	0.652	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.9	170.9	-65.9	-40.7	0	0	0	108.9	K199	K199-N205 VanDerWaalsContact CA-OD1 3.24Å; K199-N205 WeakPolarHBondContact CA-OD1 3.37Å; K199-N205 WeakPolarHBondContact CB-OD1 3.38Å; K199-N205 VanDerWaalsContact CG-OD1 3.29Å; K199-N205 WeakPolarHBondContact CG-OD1 3.29Å
206	G	89.3	Confident	90.2	Very high	15 Å²	15	55.7 Å²	55.7	16%	0.155	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-171.2	173.6	0	0	0	0	0	113.1	E197 K198	E197-G206 WeakPolarHBondContact CA-O 3.46Å; K198-G206 PolarHBondContact N-O 2.9Å; K198-G206 PolarHBondContact O-N 3.27Å
207	L	92.3	Very high	90.3	Very high	47 Å²	47	54.6 Å²	54.6	25%	0.246	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	137.7	179.6	-170.1	57.7	0	0	0	110.9	T169 W172 C195 E197	T169-L207 VanDerWaalsContact CA-O 3.3Å; T169-L207 WeakPolarHBondContact CA-O 3.42Å; W172-L207 HydrophobicContact CD2-CG 4.42Å; W172-L207 HydrophobicContact CG-CG 4.41Å; W172-L207 HydrophobicContact CZ2-CD2 4Å; W172-L207 HydrophobicContact CZ2-CG 4.33Å; C195-L207 HydrophobicContact CB-CD1 3.8Å; C195-L207 HydrophobicContact CB-CG 4.3Å; C195-L207 WeakPolarHBondContact O-CD1 3.32Å; E197-L207 HydrophobicContact CG-CB 3.9Å; E197-L207 HydrophobicContact CG-CD1 3.95Å; E197-L207 HydrophobicContact CG-CG 4.5Å
208	G	93.2	Very high	90.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.3	-12.7	177.9	0	0	0	0	0	114	A166 M167 I196	A166-G208 WeakPolarHBondContact CA-O 3.05Å; M167-G208 PolarHBondContact N-O 2.84Å; M167-G208 CarbonylContact O-C 3.26Å; M167-G208 VanDerWaalsContact O-C 3.26Å; M167-G208 WeakPolarHBondContact O-CA 3.4Å; I196-G208 PolarHBondContact O-N 3.14Å
209	A	95.7	Very high	91	Very high	18 Å²	18	47.4 Å²	47.4	15%	0.149	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	140.1	171.5	0	0	0	0	0	110.2	C195 I196 K198 L200	C195-A209 CarbonylContact C-O 3.55Å; C195-A209 WeakPolarHBondContact CA-O 3.11Å; C195-A209 VanDerWaalsContact CB-O 3.31Å; C195-A209 WeakPolarHBondContact CB-O 3.37Å; I196-A209 HydrophobicContact CG1-CB 3.95Å; I196-A209 PolarHBondContact N-O 3.42Å; I196-A209 WeakPolarHBondContact O-CB 3.45Å; I196-A209 PolarHBondContact O-N 3.47Å; K198-A209 HydrophobicContact CB-CB 4.1Å; L200-A209 HydrophobicContact CD2-CB 3.69Å
210	M	97.5	Very high	91.7	Very high	16 Å²	16	40 Å²	40	8%	0.079	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-52.3	145.6	173	-166.4	178.1	64.5	0	0	111	A53 K56 I60 A129 P130 C164 P165 A166 I196 I216	A53-M210 HydrophobicContact CB-CB 3.87Å; A53-M210 HydrophobicContact CB-CE 4.18Å; A53-M210 HydrophobicContact CB-SD 4.12Å; K56-M210 HydrophobicContact CB-CE 4.07Å; I60-M210 HydrophobicContact CD1-CE 3.82Å; A129-M210 HydrophobicContact CB-SD 4.35Å; P130-M210 HydrophobicContact CB-SD 3.66Å; P130-M210 HydrophobicContact CG-SD 4.43Å; C164-M210 HydrophobicContact CB-CG 3.82Å; C164-M210 HydrophobicContact CB-SD 4.33Å; P165-M210 WeakPolarHBondContact O-CA 3.16Å; A166-M210 HydrophobicContact CB-CB 3.76Å; A166-M210 HydrophobicContact CB-CG 4.33Å; I196-M210 WeakPolarHBondContact CD1-O 3.15Å; I196-M210 WeakPolarHBondContact CG1-O 3.44Å; M210-I216 HydrophobicContact CE-CD1 4Å; M210-I216 HydrophobicContact CG-CD1 4.22Å; M210-I216 HydrophobicContact SD-CD1 4.03Å
211	A	97.7	Very high	92.4	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.017	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-46.7	150.2	168.4	0	0	0	0	0	111.9	I193 P194 M215 I216	I193-A211 HydrophobicContact CB-CB 4.47Å; I193-A211 HydrophobicContact CG2-CB 3.49Å; I193-A211 VanDerWaalsContact CG2-CB 3.49Å; P194-A211 WeakPolarHBondContact O-CB 3.22Å; A211-M215 HydrophobicContact CB-CB 4.48Å; A211-M215 HydrophobicContact CB-SD 4.11Å; A211-I216 HydrophobicContact CB-CD1 4.47Å; A211-I216 HydrophobicContact CB-CG1 4.13Å
212	S	97.3	Very high	93.3	Very high	47 Å²	47	37.9 Å²	37.9	33%	0.329	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-62.1	149.7	178.9	71.3	0	0	0	0	110.9	A214 M215 I216	S212-A214 PolarHBondContact O-N 3.2Å; S212-M215 WeakPolarHBondContact O-CB 3.08Å; S212-M215 PolarHBondContact O-N 3.06Å; S212-M215 WeakPolarHBondContact OG-CB 3.49Å; S212-M215 PolarHBondContact OG-N 3.09Å; S212-I216 PolarHBondContact O-N 3.25Å; S212-I216 VanDerWaalsContact O-N 3.09Å
213	V	98	Very high	94.1	Very high	16 Å²	16	34.8 Å²	34.8	10%	0.097	23%	0.228	C	C	.	.	H	α-helix	trans	-53.3	-43.3	176.1	176.2	0	0	0	0	110.7	K56 E59 I60 K63 M215 I216 V217	K56-V213 HydrophobicContact CB-CG2 4.17Å; K56-V213 HydrophobicContact CD-CG2 4.38Å; E59-V213 HydrophobicContact CG-CG1 4.19Å; E59-V213 HydrophobicContact CG-CG2 4.39Å; I60-V213 HydrophobicContact CG1-CB 4.32Å; I60-V213 HydrophobicContact CG1-CG1 3.89Å; I60-V213 HydrophobicContact CG1-CG2 3.91Å; K63-V213 HydrophobicContact CB-CG1 4.3Å; K63-V213 HydrophobicContact CG-CG1 4.26Å; V213-M215 VanDerWaalsContact C-N 3.32Å; V213-M215 PolarHBondContact O-N 3.08Å; V213-I216 PolarHBondContact O-N 3.23Å; V213-V217 HydrophobicContact CG1-CG2 4Å; V213-V217 WeakPolarHBondContact O-CB 3.34Å; V213-V217 WeakPolarHBondContact O-CG2 3.29Å; V213-V217 PolarHBondContact O-N 3.34Å
214	A	97.6	Very high	94.7	Very high	74 Å²	74	33 Å²	33	61%	0.612	21%	0.209	S	C	*	.	H	α-helix	trans	-59	-38.7	176.7	0	0	0	0	0	113.5	S212 S218	S212-A214 PolarHBondContact O-N 3.2Å; A214-S218 VanDerWaalsContact O-CB 3.28Å; A214-S218 WeakPolarHBondContact O-CB 3.44Å; A214-S218 PolarHBondContact O-N 2.87Å
215	M	97.9	Very high	95.2	Very high	73 Å²	73	36.1 Å²	36.1	36%	0.36	22%	0.22	S	C	.	.	H	α-helix	trans	-67.8	-44.7	177.4	-172.1	175	-175.1	0	0	111.2	I193 P194 A211 S212 V213 S218 V219	I193-M215 HydrophobicContact CG2-CE 4.13Å; I193-M215 HydrophobicContact CG2-CG 4.01Å; I193-M215 HydrophobicContact CG2-SD 4.06Å; P194-M215 HydrophobicContact CG-CE 4.03Å; A211-M215 HydrophobicContact CB-CB 4.48Å; A211-M215 HydrophobicContact CB-SD 4.11Å; S212-M215 WeakPolarHBondContact O-CB 3.08Å; S212-M215 PolarHBondContact O-N 3.06Å; S212-M215 WeakPolarHBondContact OG-CB 3.49Å; S212-M215 PolarHBondContact OG-N 3.09Å; V213-M215 VanDerWaalsContact C-N 3.32Å; V213-M215 PolarHBondContact O-N 3.08Å; M215-S218 PolarHBondContact O-N 3.2Å; M215-V219 WeakPolarHBondContact O-CG2 3.32Å; M215-V219 PolarHBondContact O-N 2.84Å
216	I	98.4	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-48.5	177.2	-61	170.7	0	0	0	110.1	I60 V127 A129 C164 I193 M210 A211 S212 V213 S218 V219 V220	I60-I216 HydrophobicContact CD1-CD1 3.88Å; I60-I216 HydrophobicContact CG1-CD1 4.48Å; I60-I216 HydrophobicContact CG2-CG2 4.17Å; V127-I216 HydrophobicContact CG1-CG2 4.37Å; A129-I216 HydrophobicContact CB-CD1 4.19Å; C164-I216 HydrophobicContact CB-CD1 4.37Å; I193-I216 HydrophobicContact CD1-CG1 4.5Å; I193-I216 HydrophobicContact CG2-CG1 4.49Å; M210-I216 HydrophobicContact CE-CD1 4Å; M210-I216 HydrophobicContact CG-CD1 4.22Å; M210-I216 HydrophobicContact SD-CD1 4.03Å; A211-I216 HydrophobicContact CB-CD1 4.47Å; A211-I216 HydrophobicContact CB-CG1 4.13Å; S212-I216 PolarHBondContact O-N 3.25Å; S212-I216 VanDerWaalsContact O-N 3.09Å; V213-I216 PolarHBondContact O-N 3.23Å; I216-S218 VanDerWaalsContact C-N 3.33Å; I216-S218 PolarHBondContact O-N 3.23Å; I216-V219 PolarHBondContact O-N 3.31Å; I216-V220 WeakPolarHBondContact O-CG2 3.45Å; I216-V220 PolarHBondContact O-N 3.17Å
217	V	97.8	Very high	95.7	Very high	18 Å²	18	36.6 Å²	36.6	11%	0.109	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-42.3	178.5	173.2	0	0	0	0	111.1	K63 I64 V213 V220 G221	K63-V217 HydrophobicContact CB-CG1 4.44Å; K63-V217 HydrophobicContact CB-CG2 3.53Å; I64-V217 HydrophobicContact CG1-CG2 3.98Å; V213-V217 HydrophobicContact CG1-CG2 4Å; V213-V217 WeakPolarHBondContact O-CB 3.34Å; V213-V217 WeakPolarHBondContact O-CG2 3.29Å; V213-V217 PolarHBondContact O-N 3.34Å; V217-V220 PolarHBondContact O-N 3.16Å; V217-G221 PolarHBondContact O-N 3.04Å
218	S	97.4	Very high	95.6	Very high	76 Å²	76	35.4 Å²	35.4	53%	0.531	21%	0.21	S	C	.	.	H	α-helix	trans	-62.2	-43.8	177.7	-178.7	0	0	0	0	112.7	A214 M215 I216 S222	A214-S218 VanDerWaalsContact O-CB 3.28Å; A214-S218 WeakPolarHBondContact O-CB 3.44Å; A214-S218 PolarHBondContact O-N 2.87Å; M215-S218 PolarHBondContact O-N 3.2Å; I216-S218 VanDerWaalsContact C-N 3.33Å; I216-S218 PolarHBondContact O-N 3.23Å; S218-S222 WeakPolarHBondContact O-CB 3.32Å; S218-S222 PolarHBondContact O-N 3.29Å; S218-S222 PolarHBondContact O-OG 2.8Å
219	V	97.6	Very high	95.3	Very high	33 Å²	33	39 Å²	39	20%	0.2	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-46.7	176.8	172.4	0	0	0	0	110.7	Y162 I193 M215 I216 S222 L223	Y162-V219 HydrophobicContact CD1-CG1 3.57Å; Y162-V219 HydrophobicContact CE1-CG1 3.39Å; Y162-V219 HydrophobicContact CG-CG1 4.2Å; I193-V219 HydrophobicContact CD1-CB 3.85Å; I193-V219 HydrophobicContact CD1-CG1 3.8Å; I193-V219 HydrophobicContact CD1-CG2 4.01Å; I193-V219 HydrophobicContact CG1-CG1 4.38Å; I193-V219 HydrophobicContact CG1-CG2 4.39Å; M215-V219 WeakPolarHBondContact O-CG2 3.32Å; M215-V219 PolarHBondContact O-N 2.84Å; I216-V219 PolarHBondContact O-N 3.31Å; V219-S222 WeakPolarHBondContact O-CB 3.17Å; V219-S222 PolarHBondContact O-N 3.38Å; V219-L223 PolarHBondContact O-N 2.98Å; V219-L223 VanDerWaalsContact O-N 3.12Å
220	V	96.9	Very high	94.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-47	177.8	172.7	0	0	0	0	111.5	L44 I64 I74 V127 I216 V217 S222 L223 V224	L44-V220 HydrophobicContact CD2-CG1 3.64Å; L44-V220 HydrophobicContact CD2-CG2 4.41Å; I64-V220 HydrophobicContact CD1-CB 4.33Å; I64-V220 HydrophobicContact CD1-CG1 4.12Å; I64-V220 HydrophobicContact CD1-CG2 4.15Å; I64-V220 HydrophobicContact CG1-CB 4.36Å; I64-V220 HydrophobicContact CG1-CG1 4.19Å; I64-V220 HydrophobicContact CG2-CG1 3.82Å; I74-V220 HydrophobicContact CD1-CG1 4.43Å; V127-V220 HydrophobicContact CG2-CG2 3.75Å; I216-V220 WeakPolarHBondContact O-CG2 3.45Å; I216-V220 PolarHBondContact O-N 3.17Å; V217-V220 PolarHBondContact O-N 3.16Å; V220-S222 PolarHBondContact O-N 3.33Å; V220-L223 WeakPolarHBondContact O-CA 3.23Å; V220-L223 WeakPolarHBondContact O-CB 3.45Å; V220-L223 PolarHBondContact O-N 3.49Å; V220-V224 HydrophobicContact CG1-CG2 4.35Å; V220-V224 WeakPolarHBondContact O-CG2 3.16Å; V220-V224 PolarHBondContact O-N 3.39Å
221	G	95.4	Very high	93.7	Very high	8 Å²	8	51.1 Å²	51.1	8%	0.082	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-34.9	177.7	0	0	0	0	0	112.5	V217 V224 K225	V217-G221 PolarHBondContact O-N 3.04Å; G221-V224 PolarHBondContact O-N 2.99Å; G221-K225 WeakPolarHBondContact O-CB 3.45Å; G221-K225 VanDerWaalsContact O-CG 3.29Å; G221-K225 WeakPolarHBondContact O-CG 3.27Å; G221-K225 PolarHBondContact O-N 2.8Å
222	S	95	Very high	92.3	Very high	56 Å²	56	56 Å²	56	39%	0.392	32%	0.32	S	S	.	.	H	α-helix	trans	-66.7	-37.9	173.7	-57.9	0	0	0	0	112.4	S218 V219 V220 N226	S218-S222 WeakPolarHBondContact O-CB 3.32Å; S218-S222 PolarHBondContact O-N 3.29Å; S218-S222 PolarHBondContact O-OG 2.8Å; V219-S222 WeakPolarHBondContact O-CB 3.17Å; V219-S222 PolarHBondContact O-N 3.38Å; V220-S222 PolarHBondContact O-N 3.33Å; S222-N226 WeakPolarHBondContact O-CB 3.24Å; S222-N226 PolarHBondContact O-N 3.47Å; S222-N226 PolarHBondContact O-ND2 3.21Å; S222-N226 VanDerWaalsContact O-ND2 3.15Å
223	L	94.5	Very high	90.2	Very high	16 Å²	16	59.8 Å²	59.8	8%	0.084	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-44.4	174.5	-68.1	168	0	0	0	112.1	F42 P160 Y162 V219 V220 N226 H227	F42-L223 HydrophobicContact CZ-CB 4.34Å; P160-L223 HydrophobicContact CB-CD2 4.38Å; P160-L223 HydrophobicContact CG-CD2 4.32Å; Y162-L223 HydrophobicContact CD2-CD1 3.59Å; Y162-L223 HydrophobicContact CE2-CD1 3.3Å; Y162-L223 HydrophobicContact CE2-CD2 3.58Å; Y162-L223 HydrophobicContact CE2-CG 3.89Å; V219-L223 PolarHBondContact O-N 2.98Å; V219-L223 VanDerWaalsContact O-N 3.12Å; V220-L223 WeakPolarHBondContact O-CA 3.23Å; V220-L223 WeakPolarHBondContact O-CB 3.45Å; V220-L223 PolarHBondContact O-N 3.49Å; L223-N226 PolarHBondContact O-N 3.23Å; L223-H227 WeakPolarHBondContact O-CB 3.42Å; L223-H227 PolarHBondContact O-N 2.77Å
224	V	94.1	Very high	89.8	Confident	0 Å²	0	62 Å²	62	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-60.9	-50.6	179.1	176.9	0	0	0	0	110	F42 E72 I74 V220 G221 N226 H227 F228	F42-V224 HydrophobicContact CB-CG1 4.49Å; F42-V224 HydrophobicContact CD1-CG2 3.69Å; F42-V224 HydrophobicContact CE1-CG2 3.97Å; F42-V224 HydrophobicContact CG-CG2 4.17Å; E72-V224 HydrophobicContact CB-CG1 3.86Å; E72-V224 HydrophobicContact CG-CG1 4.36Å; I74-V224 HydrophobicContact CD1-CG2 3.87Å; V220-V224 HydrophobicContact CG1-CG2 4.35Å; V220-V224 WeakPolarHBondContact O-CG2 3.16Å; V220-V224 PolarHBondContact O-N 3.39Å; G221-V224 PolarHBondContact O-N 2.99Å; V224-N226 PolarHBondContact O-N 3.48Å; V224-H227 WeakPolarHBondContact O-CB 3.46Å; V224-H227 PolarHBondContact O-N 3.21Å; V224-H227 VanDerWaalsContact O-N 3.16Å; V224-F228 HydrophobicContact CG1-CD2 3.8Å; V224-F228 HydrophobicContact CG1-CE2 3.74Å; V224-F228 VanDerWaalsContact O-CD2 3.3Å; V224-F228 WeakPolarHBondContact O-CD2 3.29Å; V224-F228 PolarHBondContact O-N 2.62Å
225	K	92.6	Very high	89.4	Confident	122 Å²	122	61.4 Å²	61.4	53%	0.53	37%	0.367	S	S	.	.	H	α-helix	trans	-55.5	-48	176.4	-75.5	170.9	-177	-174.3	0	112.7	E72 G221 H227 F228 A229	E72-K225 WeakPolarHBondContact OE1-CG 3.26Å; G221-K225 WeakPolarHBondContact O-CB 3.45Å; G221-K225 VanDerWaalsContact O-CG 3.29Å; G221-K225 WeakPolarHBondContact O-CG 3.27Å; G221-K225 PolarHBondContact O-N 2.8Å; K225-H227 VanDerWaalsContact C-N 3.31Å; K225-H227 PolarHBondContact O-N 3.13Å; K225-F228 PolarHBondContact O-N 2.92Å; K225-A229 WeakPolarHBondContact O-CB 3.33Å; K225-A229 PolarHBondContact O-N 2.82Å
226	N	91.9	Very high	88.9	Confident	99 Å²	99	60.7 Å²	60.7	53%	0.529	37%	0.368	S	S	.	.	H	α-helix	trans	-63.4	-38	179.7	-71.8	-22	0	0	0	111.9	S222 L223 V224 I230	S222-N226 WeakPolarHBondContact O-CB 3.24Å; S222-N226 PolarHBondContact O-N 3.47Å; S222-N226 PolarHBondContact O-ND2 3.21Å; S222-N226 VanDerWaalsContact O-ND2 3.15Å; L223-N226 PolarHBondContact O-N 3.23Å; V224-N226 PolarHBondContact O-N 3.48Å; N226-I230 WeakPolarHBondContact O-CD1 3.46Å; N226-I230 VanDerWaalsContact O-CG1 3.29Å; N226-I230 WeakPolarHBondContact O-CG1 3.3Å; N226-I230 PolarHBondContact O-N 3.44Å
227	H	91.1	Very high	88.3	Confident	47 Å²	47	64.3 Å²	64.3	22%	0.218	39%	0.389	C	S	.	.	H	α-helix	trans	-61.9	-52.4	175.5	-179.2	91.4	0	0	0	111	F42 L223 V224 K225 A229 I230 Y231	F42-H227 HydrophobicContact CD2-CB 3.66Å; F42-H227 AromaticContact CD2-CD2 3.81Å; F42-H227 AromaticContact CD2-CG 3.5Å; F42-H227 VanDerWaalsContact CD2-CG 3.5Å; F42-H227 AromaticContact CD2-ND1 3.83Å; F42-H227 HydrophobicContact CE2-CB 3.81Å; F42-H227 AromaticContact CE2-CG 3.92Å; L223-H227 WeakPolarHBondContact O-CB 3.42Å; L223-H227 PolarHBondContact O-N 2.77Å; V224-H227 WeakPolarHBondContact O-CB 3.46Å; V224-H227 PolarHBondContact O-N 3.21Å; V224-H227 VanDerWaalsContact O-N 3.16Å; K225-H227 VanDerWaalsContact C-N 3.31Å; K225-H227 PolarHBondContact O-N 3.13Å; H227-A229 VanDerWaalsContact C-N 3.33Å; H227-A229 PolarHBondContact O-N 3.42Å; H227-I230 PolarHBondContact O-N 3.06Å; H227-Y231 AromaticContact CE1-CD2 3.53Å; H227-Y231 AromaticContact CE1-CE2 3.74Å; H227-Y231 AromaticContact CG-CD2 3.95Å; H227-Y231 AromaticContact ND1-CD2 3.57Å; H227-Y231 AromaticContact ND1-CE2 3.62Å; H227-Y231 AromaticContact NE2-CD2 3.88Å; H227-Y231 VanDerWaalsContact O-CD2 3.24Å; H227-Y231 WeakPolarHBondContact O-CD2 3.31Å; H227-Y231 PolarHBondContact O-N 3.09Å; H227-Y231 VanDerWaalsContact O-N 3.08Å
228	F	90	Very high	87.7	Confident	22 Å²	22	67.2 Å²	67.2	10%	0.096	41%	0.407	C	S	.	.	H	α-helix	trans	-64.3	-37.7	179.6	-76	-74.3	0	0	0	112.1	G40 F42 E72 V224 K225 I230 Y231 T232	G40-F228 WeakPolarHBondContact O-CE1 3.18Å; G40-F228 WeakPolarHBondContact O-CZ 3.32Å; F42-F228 HydrophobicContact CB-CE2 4.04Å; F42-F228 HydrophobicContact CB-CZ 4.44Å; E72-F228 HydrophobicContact CB-CD2 3.81Å; E72-F228 HydrophobicContact CB-CE2 3.73Å; E72-F228 HydrophobicContact CG-CD2 3.71Å; E72-F228 HydrophobicContact CG-CE2 4.17Å; E72-F228 HydrophobicContact CG-CG 4.23Å; V224-F228 HydrophobicContact CG1-CD2 3.8Å; V224-F228 HydrophobicContact CG1-CE2 3.74Å; V224-F228 VanDerWaalsContact O-CD2 3.3Å; V224-F228 WeakPolarHBondContact O-CD2 3.29Å; V224-F228 PolarHBondContact O-N 2.62Å; K225-F228 PolarHBondContact O-N 2.92Å; F228-I230 VanDerWaalsContact C-N 3.26Å; F228-I230 PolarHBondContact O-N 3.06Å; F228-Y231 PolarHBondContact O-N 3.44Å; F228-T232 HydrophobicContact CB-CG2 4.44Å; F228-T232 HydrophobicContact CD1-CG2 3.77Å; F228-T232 WeakPolarHBondContact O-CB 3.24Å; F228-T232 PolarHBondContact O-N 3.44Å; F228-T232 PolarHBondContact O-OG1 2.89Å
229	A	88.1	Confident	87.1	Confident	75 Å²	75	66.6 Å²	66.6	62%	0.62	40%	0.398	S	S	*	.	H	α-helix	trans	-60.9	-31.1	176.4	0	0	0	0	0	113.9	K225 H227	K225-A229 WeakPolarHBondContact O-CB 3.33Å; K225-A229 PolarHBondContact O-N 2.82Å; H227-A229 VanDerWaalsContact C-N 3.33Å; H227-A229 PolarHBondContact O-N 3.42Å
230	I	82.8	Confident	86.3	Confident	118 Å²	118	69 Å²	69	61%	0.605	41%	0.413	S	S	*	.	H	α-helix	trans	-85.9	-36.8	-179.8	-66.1	167.3	0	0	0	111.9	N226 H227 F228	N226-I230 WeakPolarHBondContact O-CD1 3.46Å; N226-I230 VanDerWaalsContact O-CG1 3.29Å; N226-I230 WeakPolarHBondContact O-CG1 3.3Å; N226-I230 PolarHBondContact O-N 3.44Å; H227-I230 PolarHBondContact O-N 3.06Å; F228-I230 VanDerWaalsContact C-N 3.26Å; F228-I230 PolarHBondContact O-N 3.06Å
231	Y	76.3	Confident	85.5	Confident	171 Å²	171	74.3 Å²	74.3	67%	0.671	44%	0.444	S	S	*	.	H	α-helix	trans	-104.3	-3.8	-170.5	-65.9	-73	0	0	0	114.9	H227 F228	H227-Y231 AromaticContact CE1-CD2 3.53Å; H227-Y231 AromaticContact CE1-CE2 3.74Å; H227-Y231 AromaticContact CG-CD2 3.95Å; H227-Y231 AromaticContact ND1-CD2 3.57Å; H227-Y231 AromaticContact ND1-CE2 3.62Å; H227-Y231 AromaticContact NE2-CD2 3.88Å; H227-Y231 VanDerWaalsContact O-CD2 3.24Å; H227-Y231 WeakPolarHBondContact O-CD2 3.31Å; H227-Y231 PolarHBondContact O-N 3.09Å; H227-Y231 VanDerWaalsContact O-N 3.08Å; F228-Y231 PolarHBondContact O-N 3.44Å
232	T	68.8	Low	84.7	Confident	106 Å²	106	79.8 Å²	79.8	65%	0.65	48%	0.475	S	S	*	.			trans	-109.5	-0.7	174.6	64.1	0	0	0	0	114.9	F228	F228-T232 HydrophobicContact CB-CG2 4.44Å; F228-T232 HydrophobicContact CD1-CG2 3.77Å; F228-T232 WeakPolarHBondContact O-CB 3.24Å; F228-T232 PolarHBondContact O-N 3.44Å; F228-T232 PolarHBondContact O-OG1 2.89Å
233	G	51.5	Low	83.8	Confident	126 Å²	126	82 Å²	82	100%	1.299	48%	0.482	S	S	*	.			trans	-91.5	0	168.8	0	0	0	0	0	111.6

Retrieved 233 of 233 residues in 73.2 ms (Link to these results)

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