A0A087XKT9_POEFO Loading...

Methyltransferase-like 26

AlphaFold DB , UniProt , Accession A0A087XKT9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 254 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	51.5	Low	42.2	Very low	225 Å²	225	147.4 Å²	147.4	100%	1.108	71%	0.706	S	S	*	*				0	3.9	0	-149.7	164	84.4	0	0	114.3
2	L	43.2	Very low	42.2	Very low	144 Å²	144	142.9 Å²	142.9	75%	0.754	69%	0.689	S	S	*	*			trans	-100.1	-27.7	-178.1	-141.7	75.2	0	0	0	114	R4	L2-R4 PolarHBondContact O-N 3.12Å
3	M	35.4	Very low	42.3	Very low	171 Å²	171	141.8 Å²	141.8	84%	0.842	69%	0.688	S	S	*	*	H	α-helix	trans	-74	-21.2	-178.8	-78.5	-93.8	-172.1	0	0	114.9	T7	M3-T7 PolarHBondContact O-OG1 3.22Å
4	R	42.3	Very low	42.5	Very low	224 Å²	224	142.1 Å²	142.1	85%	0.845	69%	0.687	S	S	*	*	H	α-helix	trans	-85.3	-15.4	179.6	-82.1	-174	178.2	-177.2	-0.4	114.3	L2	L2-R4 PolarHBondContact O-N 3.12Å
5	K	41.3	Very low	42.8	Very low	162 Å²	162	139.1 Å²	139.1	70%	0.704	68%	0.675	S	S	*	*	H	α-helix	trans	-82.4	-37.8	176.3	-81.7	-173	173.8	-174.5	0	112.3	T7 V8 E9	K5-T7 VanDerWaalsContact C-N 3.34Å; K5-T7 PolarHBondContact O-N 3.42Å; K5-V8 PolarHBondContact O-N 3.26Å; K5-E9 PolarHBondContact O-N 3.13Å
6	L	37.2	Very low	43.1	Very low	112 Å²	112	141.8 Å²	141.8	59%	0.586	68%	0.675	S	S	*	*	H	α-helix	trans	-64.5	-32.6	177.1	-91.6	113.9	0	0	0	113.8	V8 E9 V10	L6-V8 VanDerWaalsContact C-N 3.34Å; L6-V8 PolarHBondContact O-N 3.43Å; L6-E9 PolarHBondContact O-N 2.78Å; L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.2Å; L6-V10 PolarHBondContact O-N 2.7Å
7	T	41.1	Very low	43.2	Very low	83 Å²	83	134.8 Å²	134.8	51%	0.509	65%	0.65	S	S	.	*	H	α-helix	trans	-73.4	-25.5	-176.7	-19.2	0	0	0	0	113.4	M3 K5	M3-T7 PolarHBondContact O-OG1 3.22Å; K5-T7 VanDerWaalsContact C-N 3.34Å; K5-T7 PolarHBondContact O-N 3.42Å
8	V	46.2	Very low	43.1	Very low	88 Å²	88	132.7 Å²	132.7	53%	0.533	65%	0.649	S	S	.	*	H	α-helix	trans	-82.2	-35.8	177.1	178	0	0	0	0	110.8	K5 L6 R11 N12	K5-V8 PolarHBondContact O-N 3.26Å; L6-V8 VanDerWaalsContact C-N 3.34Å; L6-V8 PolarHBondContact O-N 3.43Å; V8-R11 PolarHBondContact O-N 3.05Å; V8-N12 PolarHBondContact O-N 2.99Å; V8-N12 VanDerWaalsContact O-N 3.14Å
9	E	40.8	Very low	43.5	Very low	132 Å²	132	131.2 Å²	131.2	62%	0.617	64%	0.644	S	S	*	*	H	α-helix	trans	-70.2	-38.7	-179.2	-144.1	161	-161.1	0	0	112.1	K5 L6 N12 L13	K5-E9 PolarHBondContact O-N 3.13Å; L6-E9 PolarHBondContact O-N 2.78Å; E9-N12 PolarHBondContact O-N 2.88Å; E9-L13 WeakPolarHBondContact O-CD1 3.17Å; E9-L13 PolarHBondContact O-N 3.48Å; E9-L13 VanDerWaalsContact O-N 3.11Å
10	V	42.8	Very low	43.6	Very low	92 Å²	92	131.1 Å²	131.1	56%	0.558	64%	0.641	S	S	*	*	H	α-helix	trans	-69.4	-35.4	175.5	177.7	0	0	0	0	112.4	L6 H14	L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.2Å; L6-V10 PolarHBondContact O-N 2.7Å; V10-H14 PolarHBondContact O-N 2.96Å
11	R	43	Very low	43.6	Very low	188 Å²	188	134.8 Å²	134.8	71%	0.709	65%	0.649	S	S	*	*	H	α-helix	trans	-68.2	-36.4	174.6	-81.5	-175.9	177.2	-172.7	-0.5	112.5	V8 I15	V8-R11 PolarHBondContact O-N 3.05Å; R11-I15 WeakPolarHBondContact O-CG1 3.09Å; R11-I15 PolarHBondContact O-N 2.84Å
12	N	42	Very low	43.3	Very low	94 Å²	94	125.5 Å²	125.5	50%	0.503	61%	0.611	S	S	.	*	H	α-helix	trans	-72.7	-33	177.1	-83	-21	0	0	0	113.3	V8 E9 R16	V8-N12 PolarHBondContact O-N 2.99Å; V8-N12 VanDerWaalsContact O-N 3.14Å; E9-N12 PolarHBondContact O-N 2.88Å; N12-R16 PolarHBondContact O-N 3.23Å; N12-R16 VanDerWaalsContact O-N 3.14Å
13	L	42.9	Very low	43.7	Very low	128 Å²	128	122.6 Å²	122.6	67%	0.67	60%	0.599	S	S	*	*	H	α-helix	trans	-66.2	-39.5	172.6	-101.8	94.7	0	0	0	112.5	E9 G17	E9-L13 WeakPolarHBondContact O-CD1 3.17Å; E9-L13 PolarHBondContact O-N 3.48Å; E9-L13 VanDerWaalsContact O-N 3.11Å; L13-G17 PolarHBondContact O-N 2.99Å
14	H	45	Very low	44.6	Very low	146 Å²	146	117.1 Å²	117.1	68%	0.676	58%	0.581	S	S	*	*	H	α-helix	trans	-67.4	-37.4	178.4	-111.5	44.3	0	0	0	113	V10 C18	V10-H14 PolarHBondContact O-N 2.96Å; H14-C18 PolarHBondContact O-N 3.29Å
15	I	47.9	Very low	45	Very low	98 Å²	98	111.6 Å²	111.6	50%	0.503	57%	0.568	S	S	.	*	H	α-helix	trans	-71.8	-40	178.1	-64.9	167.2	0	0	0	111	R11 C18 I19	R11-I15 WeakPolarHBondContact O-CG1 3.09Å; R11-I15 PolarHBondContact O-N 2.84Å; I15-C18 PolarHBondContact O-N 2.81Å; I15-I19 HydrophobicContact CG2-CD1 3.76Å; I15-I19 WeakPolarHBondContact O-CD1 3.33Å; I15-I19 VanDerWaalsContact O-CG1 3.25Å; I15-I19 WeakPolarHBondContact O-CG1 3.15Å; I15-I19 PolarHBondContact O-N 3.18Å; I15-I19 VanDerWaalsContact O-N 3.08Å
16	R	46.5	Very low	45.6	Very low	182 Å²	182	109.2 Å²	109.2	69%	0.687	56%	0.562	S	S	*	*	H	α-helix	trans	-63.6	-42.4	173.7	-77.7	-173.8	178	-161.8	-0.4	112.1	N12 I19 E20	N12-R16 PolarHBondContact O-N 3.23Å; N12-R16 VanDerWaalsContact O-N 3.14Å; R16-I19 PolarHBondContact O-N 2.94Å; R16-E20 WeakPolarHBondContact O-CB 3.5Å; R16-E20 WeakPolarHBondContact O-CG 3.38Å; R16-E20 PolarHBondContact O-N 2.79Å
17	G	44.8	Very low	46.5	Very low	23 Å²	23	105.5 Å²	105.5	24%	0.237	55%	0.551	C	S	.	*	H	α-helix	trans	-58.7	-49.8	172.5	0	0	0	0	0	112.4	L13 I19 E20 W21	L13-G17 PolarHBondContact O-N 2.99Å; G17-I19 VanDerWaalsContact C-N 3.29Å; G17-I19 PolarHBondContact O-N 2.87Å; G17-E20 PolarHBondContact O-N 2.83Å; G17-W21 WeakPolarHBondContact O-CB 3.47Å; G17-W21 PolarHBondContact O-N 2.82Å
18	C	42.6	Very low	47.2	Very low	96 Å²	96	107.4 Å²	107.4	65%	0.649	55%	0.554	S	S	*	*	H	α-helix	trans	-62.1	-32.9	178.6	-83.6	0	0	0	0	114	H14 I15 G22	H14-C18 PolarHBondContact O-N 3.29Å; I15-C18 PolarHBondContact O-N 2.81Å; C18-G22 PolarHBondContact O-N 3.24Å
19	I	49.2	Very low	47.5	Very low	105 Å²	105	107.4 Å²	107.4	54%	0.538	55%	0.551	S	S	.	*	H	α-helix	trans	-75.6	-39.9	177	-65	166.1	0	0	0	111.4	I15 R16 G17 G22 T23	I15-I19 HydrophobicContact CG2-CD1 3.76Å; I15-I19 WeakPolarHBondContact O-CD1 3.33Å; I15-I19 VanDerWaalsContact O-CG1 3.25Å; I15-I19 WeakPolarHBondContact O-CG1 3.15Å; I15-I19 PolarHBondContact O-N 3.18Å; I15-I19 VanDerWaalsContact O-N 3.08Å; R16-I19 PolarHBondContact O-N 2.94Å; G17-I19 VanDerWaalsContact C-N 3.29Å; G17-I19 PolarHBondContact O-N 2.87Å; I19-G22 PolarHBondContact O-N 2.62Å; I19-T23 HydrophobicContact CG2-CG2 4.4Å; I19-T23 WeakPolarHBondContact O-CB 3.29Å; I19-T23 VanDerWaalsContact O-CG2 3.27Å; I19-T23 WeakPolarHBondContact O-CG2 3.32Å; I19-T23 PolarHBondContact O-N 3.35Å; I19-T23 PolarHBondContact O-OG1 3.29Å
20	E	47.3	Very low	48.5	Very low	128 Å²	128	108.2 Å²	108.2	60%	0.598	56%	0.555	S	S	*	*	H	α-helix	trans	-66.4	-38.9	176.1	-76.7	174.8	-176.7	0	0	112	R16 G17 T23 A24	R16-E20 WeakPolarHBondContact O-CB 3.5Å; R16-E20 WeakPolarHBondContact O-CG 3.38Å; R16-E20 PolarHBondContact O-N 2.79Å; G17-E20 PolarHBondContact O-N 2.83Å; E20-T23 WeakPolarHBondContact CA-OG1 3.45Å; E20-T23 PolarHBondContact O-OG1 3.11Å; E20-A24 WeakPolarHBondContact O-CB 3.39Å; E20-A24 PolarHBondContact O-N 3.34Å
21	W	43.3	Very low	49.4	Very low	209 Å²	209	111.9 Å²	111.9	79%	0.792	56%	0.558	S	S	*	*	H	α-helix	trans	-72	-36.4	174.7	-74.8	69.6	0	0	0	112.2	G17 L25	G17-W21 WeakPolarHBondContact O-CB 3.47Å; G17-W21 PolarHBondContact O-N 2.82Å; W21-L25 WeakPolarHBondContact O-CB 3.42Å; W21-L25 PolarHBondContact O-N 3.47Å
22	G	45.6	Very low	50.2	Low	31 Å²	31	107.8 Å²	107.8	32%	0.32	55%	0.55	S	S	.	*	H	α-helix	trans	-66.8	-38.9	174.3	0	0	0	0	0	113.4	C18 I19 L25 L26	C18-G22 PolarHBondContact O-N 3.24Å; I19-G22 PolarHBondContact O-N 2.62Å; G22-L25 PolarHBondContact O-N 2.96Å; G22-L26 WeakPolarHBondContact O-CB 3.05Å; G22-L26 WeakPolarHBondContact O-CD1 3.44Å; G22-L26 VanDerWaalsContact O-CG 3.25Å; G22-L26 WeakPolarHBondContact O-CG 3.35Å; G22-L26 PolarHBondContact O-N 3.07Å
23	T	51.1	Low	50.9	Low	83 Å²	83	109.5 Å²	109.5	51%	0.509	56%	0.555	S	S	.	*	H	α-helix	trans	-72.5	-36	176.5	49.1	0	0	0	0	112.2	I19 E20 L26 G27	I19-T23 HydrophobicContact CG2-CG2 4.4Å; I19-T23 WeakPolarHBondContact O-CB 3.29Å; I19-T23 VanDerWaalsContact O-CG2 3.27Å; I19-T23 WeakPolarHBondContact O-CG2 3.32Å; I19-T23 PolarHBondContact O-N 3.35Å; I19-T23 PolarHBondContact O-OG1 3.29Å; E20-T23 WeakPolarHBondContact CA-OG1 3.45Å; E20-T23 PolarHBondContact O-OG1 3.11Å; T23-L26 PolarHBondContact O-N 3.01Å; T23-G27 PolarHBondContact O-N 2.96Å
24	A	53.7	Low	51.8	Low	56 Å²	56	110.2 Å²	110.2	46%	0.463	55%	0.553	S	S	.	*	H	α-helix	trans	-64.3	-40.9	171.2	0	0	0	0	0	112.3	E20 G27 Q28	E20-A24 WeakPolarHBondContact O-CB 3.39Å; E20-A24 PolarHBondContact O-N 3.34Å; A24-G27 PolarHBondContact O-N 2.79Å; A24-Q28 WeakPolarHBondContact O-CG 3.33Å; A24-Q28 PolarHBondContact O-N 2.95Å
25	L	51.1	Low	52.5	Low	107 Å²	107	106.3 Å²	106.3	56%	0.56	54%	0.536	S	S	*	.	H	α-helix	trans	-67.7	-40.9	176.7	-155.6	84.3	0	0	0	111.9	W21 G22 Q28 L29	W21-L25 WeakPolarHBondContact O-CB 3.42Å; W21-L25 PolarHBondContact O-N 3.47Å; G22-L25 PolarHBondContact O-N 2.96Å; L25-Q28 PolarHBondContact O-N 2.88Å; L25-L29 WeakPolarHBondContact O-CG 3.5Å; L25-L29 PolarHBondContact O-N 3.07Å
26	L	53.5	Low	52.7	Low	112 Å²	112	106.9 Å²	106.9	59%	0.586	53%	0.533	S	S	*	.	H	α-helix	trans	-63.7	-41.6	173.2	-76	165.3	0	0	0	111.7	G22 T23 Q28 L29 E30	G22-L26 WeakPolarHBondContact O-CB 3.05Å; G22-L26 WeakPolarHBondContact O-CD1 3.44Å; G22-L26 VanDerWaalsContact O-CG 3.25Å; G22-L26 WeakPolarHBondContact O-CG 3.35Å; G22-L26 PolarHBondContact O-N 3.07Å; T23-L26 PolarHBondContact O-N 3.01Å; L26-Q28 PolarHBondContact O-N 3.13Å; L26-L29 PolarHBondContact O-N 3.07Å; L26-E30 PolarHBondContact O-N 2.91Å
27	G	56.6	Low	53.1	Low	35 Å²	35	107.3 Å²	107.3	36%	0.361	54%	0.535	S	S	.	.	H	α-helix	trans	-63.6	-37.8	174.5	0	0	0	0	0	113	T23 A24 W31	T23-G27 PolarHBondContact O-N 2.96Å; A24-G27 PolarHBondContact O-N 2.79Å; G27-W31 VanDerWaalsContact O-CB 3.25Å; G27-W31 WeakPolarHBondContact O-CB 3.14Å; G27-W31 PolarHBondContact O-N 2.95Å
28	Q	54.8	Low	53.7	Low	122 Å²	122	110.1 Å²	110.1	57%	0.57	54%	0.543	S	S	*	.	H	α-helix	trans	-65.9	-40.1	172.9	-77.9	177.3	-15.6	0	0	112.2	A24 L25 L26 W31 L32	A24-Q28 WeakPolarHBondContact O-CG 3.33Å; A24-Q28 PolarHBondContact O-N 2.95Å; L25-Q28 PolarHBondContact O-N 2.88Å; L26-Q28 PolarHBondContact O-N 3.13Å; Q28-W31 PolarHBondContact O-N 3.47Å; Q28-L32 WeakPolarHBondContact O-CB 3.4Å; Q28-L32 VanDerWaalsContact O-CG 3.26Å; Q28-L32 WeakPolarHBondContact O-CG 3.46Å; Q28-L32 PolarHBondContact O-N 3.1Å
29	L	53.4	Low	54.1	Low	89 Å²	89	108.2 Å²	108.2	47%	0.466	53%	0.529	S	S	.	.	H	α-helix	trans	-65.9	-43	175.5	-78.7	158.6	0	0	0	112.3	L25 L26 W31 L32 H33	L25-L29 WeakPolarHBondContact O-CG 3.5Å; L25-L29 PolarHBondContact O-N 3.07Å; L26-L29 PolarHBondContact O-N 3.07Å; L29-W31 VanDerWaalsContact C-N 3.34Å; L29-L32 PolarHBondContact O-N 3.3Å; L29-H33 WeakPolarHBondContact O-CB 3.2Å; L29-H33 PolarHBondContact O-N 2.89Å
30	E	61.6	Low	54.1	Low	148 Å²	148	110.1 Å²	110.1	69%	0.692	53%	0.529	S	S	*	.	H	α-helix	trans	-64.5	-39.6	174.5	-76.4	-168.8	163.5	0	0	112	L26 H33 K34	L26-E30 PolarHBondContact O-N 2.91Å; E30-H33 PolarHBondContact O-N 3.25Å; E30-K34 WeakPolarHBondContact O-CB 3.45Å; E30-K34 PolarHBondContact O-N 2.87Å
31	W	61.5	Low	54.3	Low	169 Å²	169	115 Å²	115	64%	0.64	54%	0.542	S	S	*	.	H	α-helix	trans	-66.1	-41.7	176.4	-167.6	81.7	0	0	0	111.7	G27 Q28 L29 K34 L35	G27-W31 VanDerWaalsContact O-CB 3.25Å; G27-W31 WeakPolarHBondContact O-CB 3.14Å; G27-W31 PolarHBondContact O-N 2.95Å; Q28-W31 PolarHBondContact O-N 3.47Å; L29-W31 VanDerWaalsContact C-N 3.34Å; W31-K34 PolarHBondContact O-N 3.5Å; W31-L35 HydrophobicContact CD2-CD1 3.53Å; W31-L35 HydrophobicContact CE3-CD1 3.32Å; W31-L35 HydrophobicContact CG-CD1 4.49Å; W31-L35 HydrophobicContact CH2-CD1 3.2Å; W31-L35 HydrophobicContact CZ2-CD1 3.39Å; W31-L35 HydrophobicContact CZ3-CD1 3.16Å; W31-L35 WeakPolarHBondContact O-CB 3.25Å; W31-L35 PolarHBondContact O-N 3.11Å
32	L	60.7	Low	54.5	Low	102 Å²	102	111.7 Å²	111.7	53%	0.534	54%	0.539	S	S	.	.	H	α-helix	trans	-62.5	-41.7	172	-75.9	168.2	0	0	0	112.1	Q28 L29 K34 L35 Y36	Q28-L32 WeakPolarHBondContact O-CB 3.4Å; Q28-L32 VanDerWaalsContact O-CG 3.26Å; Q28-L32 WeakPolarHBondContact O-CG 3.46Å; Q28-L32 PolarHBondContact O-N 3.1Å; L29-L32 PolarHBondContact O-N 3.3Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 3.31Å; L32-L35 PolarHBondContact O-N 3.23Å; L32-Y36 VanDerWaalsContact O-CB 3.23Å; L32-Y36 WeakPolarHBondContact O-CB 3.47Å; L32-Y36 PolarHBondContact O-N 3.34Å
33	H	55.9	Low	54.5	Low	130 Å²	130	115.3 Å²	115.3	60%	0.602	55%	0.551	S	S	*	*	H	α-helix	trans	-63.7	-38.7	173.4	-88	-159.7	0	0	0	112.3	L29 E30 Y36 R37	L29-H33 WeakPolarHBondContact O-CB 3.2Å; L29-H33 PolarHBondContact O-N 2.89Å; E30-H33 PolarHBondContact O-N 3.25Å; H33-Y36 PolarHBondContact O-N 2.8Å; H33-R37 WeakPolarHBondContact O-CB 3.34Å; H33-R37 WeakPolarHBondContact O-CG 3.23Å; H33-R37 PolarHBondContact O-N 2.95Å
34	K	62	Low	54.4	Low	143 Å²	143	117 Å²	117	62%	0.622	56%	0.563	S	S	*	*	H	α-helix	trans	-69.7	-42.1	177.7	-157.9	171.9	-174.3	177.4	0	110.8	E30 W31 L32 R37 I38	E30-K34 WeakPolarHBondContact O-CB 3.45Å; E30-K34 PolarHBondContact O-N 2.87Å; W31-K34 PolarHBondContact O-N 3.5Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 3.31Å; K34-R37 PolarHBondContact O-N 2.6Å; K34-I38 HydrophobicContact CG-CD1 4.19Å; K34-I38 WeakPolarHBondContact O-CB 3.43Å; K34-I38 WeakPolarHBondContact O-CD1 3.49Å; K34-I38 WeakPolarHBondContact O-CG1 3.44Å; K34-I38 PolarHBondContact O-N 3.18Å
35	L	59.4	Low	54.1	Low	64 Å²	64	115.5 Å²	115.5	34%	0.335	55%	0.554	S	S	.	*	H	α-helix	trans	-61.5	-46	171.3	-106.2	141.5	0	0	0	111.8	W31 L32 R37 I38 T39	W31-L35 HydrophobicContact CD2-CD1 3.53Å; W31-L35 HydrophobicContact CE3-CD1 3.32Å; W31-L35 HydrophobicContact CG-CD1 4.49Å; W31-L35 HydrophobicContact CH2-CD1 3.2Å; W31-L35 HydrophobicContact CZ2-CD1 3.39Å; W31-L35 HydrophobicContact CZ3-CD1 3.16Å; W31-L35 WeakPolarHBondContact O-CB 3.25Å; W31-L35 PolarHBondContact O-N 3.11Å; L32-L35 PolarHBondContact O-N 3.23Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 2.94Å; L35-I38 CarbonylContact O-C 3.57Å; L35-I38 PolarHBondContact O-N 2.71Å; L35-I38 VanDerWaalsContact O-N 3.14Å; L35-T39 WeakPolarHBondContact O-CB 3.27Å; L35-T39 WeakPolarHBondContact O-CG2 3.26Å; L35-T39 PolarHBondContact O-N 3.36Å; L35-T39 PolarHBondContact O-OG1 2.8Å
36	Y	51.4	Low	54.1	Low	111 Å²	111	115.9 Å²	115.9	44%	0.435	55%	0.551	S	S	.	*	H	α-helix	trans	-59.9	-40.5	175	-179	-106.1	0	0	0	112.2	L32 H33 T39 R40 F46	L32-Y36 VanDerWaalsContact O-CB 3.23Å; L32-Y36 WeakPolarHBondContact O-CB 3.47Å; L32-Y36 PolarHBondContact O-N 3.34Å; H33-Y36 PolarHBondContact O-N 2.8Å; Y36-T39 WeakPolarHBondContact CA-OG1 3.24Å; Y36-T39 PolarHBondContact O-OG1 2.89Å; Y36-R40 WeakPolarHBondContact O-CB 3.46Å; Y36-R40 PolarHBondContact O-N 3.14Å; Y36-F46 HydrophobicContact CE2-CD1 4.35Å; Y36-F46 HydrophobicContact CE2-CE1 4.49Å
37	R	54.6	Low	54.4	Low	191 Å²	191	111.6 Å²	111.6	72%	0.721	53%	0.534	S	S	*	.	H	α-helix	trans	-68.4	-36.1	174.2	-76.3	176.7	74.5	169.2	4.4	112.5	H33 K34 L35 R41	H33-R37 WeakPolarHBondContact O-CB 3.34Å; H33-R37 WeakPolarHBondContact O-CG 3.23Å; H33-R37 PolarHBondContact O-N 2.95Å; K34-R37 PolarHBondContact O-N 2.6Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 2.94Å; R37-R41 WeakPolarHBondContact O-CB 3.3Å; R37-R41 PolarHBondContact O-N 3.39Å
38	I	57.6	Low	55.9	Low	82 Å²	82	115.5 Å²	115.5	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-70.9	-46.7	177.2	-71.6	163.6	0	0	0	110.1	K34 L35 R40 R41 L42	K34-I38 HydrophobicContact CG-CD1 4.19Å; K34-I38 WeakPolarHBondContact O-CB 3.43Å; K34-I38 WeakPolarHBondContact O-CD1 3.49Å; K34-I38 WeakPolarHBondContact O-CG1 3.44Å; K34-I38 PolarHBondContact O-N 3.18Å; L35-I38 CarbonylContact O-C 3.57Å; L35-I38 PolarHBondContact O-N 2.71Å; L35-I38 VanDerWaalsContact O-N 3.14Å; I38-R40 VanDerWaalsContact C-N 3.33Å; I38-R40 PolarHBondContact O-N 3.31Å; I38-R41 PolarHBondContact O-N 2.81Å; I38-R41 VanDerWaalsContact O-N 3.12Å; I38-L42 HydrophobicContact CG2-CD1 3.57Å; I38-L42 HydrophobicContact CG2-CG 4.26Å; I38-L42 WeakPolarHBondContact O-CB 3.47Å; I38-L42 VanDerWaalsContact O-CG 3.27Å; I38-L42 WeakPolarHBondContact O-CG 3.49Å; I38-L42 PolarHBondContact O-N 2.84Å
39	T	51.4	Low	57.8	Low	56 Å²	56	113.3 Å²	113.3	34%	0.344	54%	0.541	S	S	.	.	H	α-helix	trans	-64.2	-37.9	176.3	55	0	0	0	0	111.5	L35 Y36 R41 L42 N43	L35-T39 WeakPolarHBondContact O-CB 3.27Å; L35-T39 WeakPolarHBondContact O-CG2 3.26Å; L35-T39 PolarHBondContact O-N 3.36Å; L35-T39 PolarHBondContact O-OG1 2.8Å; Y36-T39 WeakPolarHBondContact CA-OG1 3.24Å; Y36-T39 PolarHBondContact O-OG1 2.89Å; T39-R41 VanDerWaalsContact C-N 3.34Å; T39-R41 PolarHBondContact O-N 2.97Å; T39-L42 PolarHBondContact O-N 3.28Å; T39-N43 WeakPolarHBondContact O-CA 3.34Å; T39-N43 VanDerWaalsContact O-CB 3.24Å; T39-N43 WeakPolarHBondContact O-CB 3.32Å; T39-N43 PolarHBondContact O-N 3.22Å
40	R	49.9	Very low	59.8	Low	145 Å²	145	111.3 Å²	111.3	55%	0.547	53%	0.531	S	S	.	.	H	α-helix	trans	-66.5	-31	172.5	-168.6	178.3	-174.5	-171.4	2	113.5	Y36 I38 F46	Y36-R40 WeakPolarHBondContact O-CB 3.46Å; Y36-R40 PolarHBondContact O-N 3.14Å; I38-R40 VanDerWaalsContact C-N 3.33Å; I38-R40 PolarHBondContact O-N 3.31Å; R40-F46 HydrophobicContact CG-CB 4.41Å
41	R	51.1	Low	61.5	Low	230 Å²	230	109.5 Å²	109.5	87%	0.868	53%	0.526	S	S	*	.	H	α-helix	trans	-76.7	-36.3	173.5	-104.1	-175.2	175.2	-176.4	-2	112.8	R37 I38 T39	R37-R41 WeakPolarHBondContact O-CB 3.3Å; R37-R41 PolarHBondContact O-N 3.39Å; I38-R41 PolarHBondContact O-N 2.81Å; I38-R41 VanDerWaalsContact O-N 3.12Å; T39-R41 VanDerWaalsContact C-N 3.34Å; T39-R41 PolarHBondContact O-N 2.97Å
42	L	47.1	Very low	63.1	Low	139 Å²	139	103 Å²	103	73%	0.728	51%	0.509	S	S	*	.	H	α-helix	trans	-83.5	-18.3	-179.6	-66.9	173.2	0	0	0	112.4	I38 T39	I38-L42 HydrophobicContact CG2-CD1 3.57Å; I38-L42 HydrophobicContact CG2-CG 4.26Å; I38-L42 WeakPolarHBondContact O-CB 3.47Å; I38-L42 VanDerWaalsContact O-CG 3.27Å; I38-L42 WeakPolarHBondContact O-CG 3.49Å; I38-L42 PolarHBondContact O-N 2.84Å; T39-L42 PolarHBondContact O-N 3.28Å
43	N	45.8	Very low	64.8	Low	107 Å²	107	100.9 Å²	100.9	57%	0.572	51%	0.506	S	S	*	.			trans	-139.8	90.9	-177.3	-138.6	-6.3	0	0	0	109.6	T39 G45	T39-N43 WeakPolarHBondContact O-CA 3.34Å; T39-N43 VanDerWaalsContact O-CB 3.24Å; T39-N43 WeakPolarHBondContact O-CB 3.32Å; T39-N43 PolarHBondContact O-N 3.22Å; N43-G45 PolarHBondContact O-N 3.28Å
44	P	48.4	Very low	66.7	Low	118 Å²	118	96.5 Å²	96.5	77%	0.766	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-2.7	-174.5	24	-32.3	0	0	0	114.6	F46	P44-F46 VanDerWaalsContact C-N 3.31Å; P44-F46 PolarHBondContact O-N 3.44Å
45	G	47.5	Very low	68.3	Low	25 Å²	25	90 Å²	90	26%	0.258	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	3.7	-179.2	0	0	0	0	0	116.8	N43 G47	N43-G45 PolarHBondContact O-N 3.28Å; G45-G47 PolarHBondContact O-N 2.92Å
46	F	51.6	Low	70.1	Confident	116 Å²	116	90.7 Å²	90.7	51%	0.509	47%	0.466	S	S	.	.			trans	-82.3	58.5	171.5	-92	-87.7	0	0	0	111.6	Y36 R40 P44	Y36-F46 HydrophobicContact CE2-CD1 4.35Å; Y36-F46 HydrophobicContact CE2-CE1 4.49Å; R40-F46 HydrophobicContact CG-CB 4.41Å; P44-F46 VanDerWaalsContact C-N 3.31Å; P44-F46 PolarHBondContact O-N 3.44Å
47	G	60.7	Low	72.3	Confident	21 Å²	21	93.7 Å²	93.7	22%	0.216	48%	0.477	C	S	.	.			trans	-86	144.5	155.4	0	0	0	0	0	109	G45 A116	G45-G47 PolarHBondContact O-N 2.92Å; G47-A116 WeakPolarHBondContact O-CB 3.45Å
48	T	86.9	Confident	74.4	Confident	118 Å²	118	84.9 Å²	84.9	72%	0.724	44%	0.444	S	S	*	.			trans	-77.4	129.7	167.8	-54.3	0	0	0	0	107.8	L50	T48-L50 PolarHBondContact O-N 3.42Å; T48-L50 VanDerWaalsContact O-N 3.1Å
49	M	94.9	Very high	76.4	Confident	75 Å²	75	83.2 Å²	83.2	37%	0.369	43%	0.434	S	S	.	.			trans	-60.9	113.9	168.9	-72.7	-171.4	-66.5	0	0	108.9	A116 Y117 H120	M49-A116 HydrophobicContact CG-CB 3.79Å; M49-Y117 HydrophobicContact CB-CD2 4.02Å; M49-Y117 HydrophobicContact CB-CE2 3.59Å; M49-Y117 HydrophobicContact CG-CD1 4.28Å; M49-Y117 HydrophobicContact CG-CD2 3.73Å; M49-Y117 HydrophobicContact CG-CE1 4.35Å; M49-Y117 HydrophobicContact CG-CE2 3.81Å; M49-Y117 HydrophobicContact CG-CG 3.96Å; M49-Y117 HydrophobicContact SD-CD1 3.58Å; M49-Y117 VanDerWaalsContact SD-CD1 3.58Å; M49-Y117 HydrophobicContact SD-CD2 4.14Å; M49-Y117 HydrophobicContact SD-CE1 3.64Å; M49-Y117 HydrophobicContact SD-CE2 4.2Å; M49-Y117 HydrophobicContact SD-CG 3.83Å; M49-H120 HydrophobicContact CE-CB 4.38Å; M49-H120 HydrophobicContact SD-CB 4.03Å
50	L	96.5	Very high	78.6	Confident	47 Å²	47	84.6 Å²	84.6	25%	0.246	44%	0.437	C	S	.	.			trans	-79.1	151.8	173.5	-59.6	179.9	0	0	0	109.9	T48 T85 Q109 S113 Y117	T48-L50 PolarHBondContact O-N 3.42Å; T48-L50 VanDerWaalsContact O-N 3.1Å; L50-T85 HydrophobicContact CB-CG2 3.64Å; L50-T85 WeakPolarHBondContact O-CB 3.27Å; L50-Q109 HydrophobicContact CD1-CG 4.12Å; L50-S113 WeakPolarHBondContact CB-OG 3.05Å; L50-S113 PolarHBondContact N-OG 3.48Å; L50-Y117 WeakPolarHBondContact O-CE2 3.24Å; L50-Y117 PolarHBondContact O-OH 3.39Å
51	N	95.9	Very high	80.9	Confident	110 Å²	110	79.4 Å²	79.4	59%	0.588	42%	0.422	S	S	*	.			trans	-121.8	125.3	175.6	-169.7	-70.4	0	0	0	110.6
52	A	95.9	Very high	83.2	Confident	34 Å²	34	68.5 Å²	68.5	28%	0.281	38%	0.38	S	S	.	.			trans	-108.3	116.4	169.7	0	0	0	0	0	109.1	A54 A55 E56 T85 Q87	A52-A54 PolarHBondContact O-N 3.42Å; A52-A55 HydrophobicContact CB-CB 4.07Å; A52-A55 WeakPolarHBondContact O-CB 3.21Å; A52-A55 PolarHBondContact O-N 3Å; A52-E56 PolarHBondContact O-N 2.92Å; A52-T85 HydrophobicContact CB-CG2 3.84Å; A52-Q87 PolarHBondContact O-NE2 2.76Å
53	A	96.6	Very high	85.6	Confident	57 Å²	57	61.9 Å²	61.9	47%	0.471	35%	0.346	S	S	.	.	H	α-helix	trans	-59.4	-30.4	177.8	0	0	0	0	0	112.6	E56 R57	A53-E56 PolarHBondContact O-N 3.03Å; A53-R57 WeakPolarHBondContact O-CG 3.24Å; A53-R57 PolarHBondContact O-N 3.49Å; A53-R57 PolarHBondContact O-NH1 2.9Å
54	A	94.8	Very high	88.1	Confident	37 Å²	37	59.5 Å²	59.5	31%	0.306	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-41.9	174.3	0	0	0	0	0	111.8	A52 E56 R57 N58	A52-A54 PolarHBondContact O-N 3.42Å; A54-E56 PolarHBondContact O-N 3.15Å; A54-R57 PolarHBondContact O-N 3.09Å; A54-N58 PolarHBondContact O-N 3.23Å; A54-N58 VanDerWaalsContact O-N 3.12Å; A54-N58 PolarHBondContact O-OD1 3.14Å
55	A	97	Very high	90.5	Very high	8 Å²	8	54.5 Å²	54.5	7%	0.066	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-40.9	178.7	0	0	0	0	0	111.7	A52 R57 N58 K59 Q87 H88	A52-A55 HydrophobicContact CB-CB 4.07Å; A52-A55 WeakPolarHBondContact O-CB 3.21Å; A52-A55 PolarHBondContact O-N 3Å; A55-R57 PolarHBondContact O-N 3.1Å; A55-N58 VanDerWaalsContact CA-OD1 3.32Å; A55-N58 WeakPolarHBondContact CA-OD1 3.24Å; A55-N58 PolarHBondContact O-N 2.98Å; A55-N58 PolarHBondContact O-OD1 3.33Å; A55-N58 VanDerWaalsContact O-OD1 3.11Å; A55-K59 VanDerWaalsContact O-CB 3.29Å; A55-K59 WeakPolarHBondContact O-CB 3.46Å; A55-K59 PolarHBondContact O-N 2.77Å; A55-Q87 HydrophobicContact CB-CB 4Å; A55-H88 WeakPolarHBondContact CA-NE2 3.29Å; A55-H88 PolarHBondContact O-NE2 3.31Å
56	E	97.3	Very high	92.9	Very high	77 Å²	77	53.3 Å²	53.3	36%	0.36	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-42.9	174.1	-73.2	-53.8	135.4	0	0	112.8	A52 A53 A54 K59 Q87	A52-E56 PolarHBondContact O-N 2.92Å; A53-E56 PolarHBondContact O-N 3.03Å; A54-E56 PolarHBondContact O-N 3.15Å; E56-K59 IonicContact OE1-NZ 3.09Å; E56-K59 VanDerWaalsContact OE2-CE 3.27Å; E56-K59 WeakPolarHBondContact OE2-CE 3.34Å; E56-K59 IonicContact OE2-NZ 3.88Å; E56-K59 PolarHBondContact OE2-NZ 3.4Å; E56-Q87 PolarHBondContact OE1-NE2 2.99Å
57	R	97.6	Very high	95	Very high	174 Å²	174	52.6 Å²	52.6	66%	0.657	29%	0.287	S	S	*	.	H	α-helix	trans	-68.8	-35	-177.7	-70.8	-171.2	-54.8	-91.7	5.8	113.3	A53 A54 A55	A53-R57 WeakPolarHBondContact O-CG 3.24Å; A53-R57 PolarHBondContact O-N 3.49Å; A53-R57 PolarHBondContact O-NH1 2.9Å; A54-R57 PolarHBondContact O-N 3.09Å; A55-R57 PolarHBondContact O-N 3.1Å
58	N	98.3	Very high	96.7	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-106.2	-8.2	-170.6	67.9	6	0	0	0	114.8	A54 A55 E60 P61 I62 H88 N156 Y186	A54-N58 PolarHBondContact O-N 3.23Å; A54-N58 VanDerWaalsContact O-N 3.12Å; A54-N58 PolarHBondContact O-OD1 3.14Å; A55-N58 VanDerWaalsContact CA-OD1 3.32Å; A55-N58 WeakPolarHBondContact CA-OD1 3.24Å; A55-N58 PolarHBondContact O-N 2.98Å; A55-N58 PolarHBondContact O-OD1 3.33Å; A55-N58 VanDerWaalsContact O-OD1 3.11Å; N58-E60 PolarHBondContact O-N 3.14Å; N58-P61 WeakPolarHBondContact O-CD 3.25Å; N58-I62 HydrophobicContact CB-CD1 3.97Å; N58-I62 WeakPolarHBondContact O-CB 3.24Å; N58-I62 WeakPolarHBondContact O-CD1 3.32Å; N58-I62 WeakPolarHBondContact O-CG1 3.37Å; N58-I62 PolarHBondContact O-N 3.37Å; N58-H88 PolarHBondContact OD1-CE1 2.9Å; N58-H88 PolarHBondContact OD1-NE2 3.15Å; N58-N156 PolarHBondContact ND2-ND2 3.45Å; N58-Y186 HydrophobicContact CB-CE1 4.15Å; N58-Y186 HydrophobicContact CB-CE2 4.36Å; N58-Y186 WeakPolarHBondContact CB-OH 3.49Å; N58-Y186 WeakPolarHBondContact ND2-CE1 3.22Å
59	K	98.3	Very high	97.1	Very high	47 Å²	47	53 Å²	53	20%	0.204	28%	0.281	C	S	.	.	H	α-helix	trans	-58.1	-45.1	-179.9	69.7	-171.3	-172.7	-176.4	0	113.6	A55 E56 L63 H91 F92	A55-K59 VanDerWaalsContact O-CB 3.29Å; A55-K59 WeakPolarHBondContact O-CB 3.46Å; A55-K59 PolarHBondContact O-N 2.77Å; E56-K59 IonicContact OE1-NZ 3.09Å; E56-K59 VanDerWaalsContact OE2-CE 3.27Å; E56-K59 WeakPolarHBondContact OE2-CE 3.34Å; E56-K59 IonicContact OE2-NZ 3.88Å; E56-K59 PolarHBondContact OE2-NZ 3.4Å; K59-L63 VanDerWaalsContact O-CB 3.25Å; K59-L63 WeakPolarHBondContact O-CB 3.09Å; K59-L63 PolarHBondContact O-N 3.44Å; K59-H91 HydrophobicContact CD-CB 4.24Å; K59-F92 WeakPolarHBondContact O-CE1 3.26Å
60	E	98.4	Very high	97	Very high	85 Å²	85	50.3 Å²	50.3	40%	0.397	27%	0.268	S	S	.	.	H	α-helix	trans	-73.2	-45	-178	-166.3	60.8	-151.9	0	0	112.8	N58 I62 L63 S64 R67 H91	N58-E60 PolarHBondContact O-N 3.14Å; E60-I62 VanDerWaalsContact C-N 3.32Å; E60-I62 PolarHBondContact O-N 3.05Å; E60-L63 PolarHBondContact O-N 2.99Å; E60-S64 PolarHBondContact O-N 3.38Å; E60-R67 IonicContact OE1-CZ 2.71Å; E60-R67 IonicContact OE1-NH1 3.86Å; E60-R67 PolarHBondContact OE1-NH1 2.73Å; E60-R67 IonicContact OE1-NH2 3.24Å; E60-H91 IonicContact OE2-CE1 3.11Å; E60-H91 PolarHBondContact OE2-CE1 3.02Å; E60-H91 IonicContact OE2-NE2 3.94Å; E60-H91 PolarHBondContact OE2-NE2 3.1Å
61	P	98.6	Very high	96.6	Very high	36 Å²	36	52.3 Å²	52.3	23%	0.234	28%	0.279	C	S	.	.	H	α-helix	trans	-54.9	-45.3	172.1	-27.9	34.7	0	0	0	113.2	N58 S64 V65 M239 P240	N58-P61 WeakPolarHBondContact O-CD 3.25Å; P61-S64 WeakPolarHBondContact O-CB 3.44Å; P61-S64 PolarHBondContact O-N 2.92Å; P61-V65 PolarHBondContact O-N 2.96Å; P61-M239 VanDerWaalsContact C-CE 3.47Å; P61-M239 HydrophobicContact CB-CE 3.44Å; P61-M239 VanDerWaalsContact CB-CE 3.44Å; P61-M239 WeakPolarHBondContact O-CE 3.49Å; P61-P240 HydrophobicContact CB-CG 4.27Å; P61-P240 HydrophobicContact CG-CG 4.06Å
62	I	98.8	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-41	179.2	-65.3	166.9	0	0	0	110.9	N58 E60 S64 V65 L66 F92 I155 Y186	N58-I62 HydrophobicContact CB-CD1 3.97Å; N58-I62 WeakPolarHBondContact O-CB 3.24Å; N58-I62 WeakPolarHBondContact O-CD1 3.32Å; N58-I62 WeakPolarHBondContact O-CG1 3.37Å; N58-I62 PolarHBondContact O-N 3.37Å; E60-I62 VanDerWaalsContact C-N 3.32Å; E60-I62 PolarHBondContact O-N 3.05Å; I62-S64 VanDerWaalsContact C-N 3.28Å; I62-S64 PolarHBondContact O-N 3.36Å; I62-V65 PolarHBondContact O-N 3.45Å; I62-V65 VanDerWaalsContact O-N 3.17Å; I62-L66 HydrophobicContact CG2-CD1 4.03Å; I62-L66 HydrophobicContact CG2-CG 4.38Å; I62-L66 WeakPolarHBondContact O-CG 3.42Å; I62-L66 PolarHBondContact O-N 3.46Å; I62-F92 HydrophobicContact CB-CE1 4.44Å; I62-F92 HydrophobicContact CB-CZ 4.15Å; I62-F92 HydrophobicContact CG2-CE1 4.25Å; I62-F92 HydrophobicContact CG2-CE2 4.43Å; I62-F92 HydrophobicContact CG2-CZ 3.69Å; I62-I155 HydrophobicContact CD1-CD1 3.91Å; I62-I155 HydrophobicContact CD1-CG1 4.17Å; I62-I155 HydrophobicContact CD1-CG2 3.79Å; I62-I155 HydrophobicContact CG2-CD1 4.11Å; I62-Y186 HydrophobicContact CD1-CD1 3.89Å; I62-Y186 HydrophobicContact CD1-CD2 3.58Å; I62-Y186 HydrophobicContact CD1-CE1 4.24Å; I62-Y186 HydrophobicContact CD1-CE2 3.88Å; I62-Y186 HydrophobicContact CD1-CG 3.56Å; I62-Y186 HydrophobicContact CG1-CD2 3.43Å; I62-Y186 VanDerWaalsContact CG1-CD2 3.43Å; I62-Y186 HydrophobicContact CG1-CE2 3.72Å; I62-Y186 HydrophobicContact CG1-CG 3.93Å
63	L	98.6	Very high	95.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-38.8	176.3	177.8	58.1	0	0	0	112	K59 E60 L66 R67 H91 F92 T95 L96	K59-L63 VanDerWaalsContact O-CB 3.25Å; K59-L63 WeakPolarHBondContact O-CB 3.09Å; K59-L63 PolarHBondContact O-N 3.44Å; E60-L63 PolarHBondContact O-N 2.99Å; L63-L66 PolarHBondContact O-N 3.31Å; L63-R67 HydrophobicContact CD1-CG 4.38Å; L63-R67 WeakPolarHBondContact O-CG 3.33Å; L63-R67 PolarHBondContact O-N 3.17Å; L63-H91 WeakPolarHBondContact CD2-NE2 3.4Å; L63-F92 HydrophobicContact CB-CD1 4.01Å; L63-F92 HydrophobicContact CB-CE1 4Å; L63-F92 HydrophobicContact CD1-CD1 4.03Å; L63-F92 HydrophobicContact CG-CD1 4.49Å; L63-T95 HydrophobicContact CD1-CG2 4.11Å; L63-T95 HydrophobicContact CD2-CG2 4.02Å; L63-T95 HydrophobicContact CG-CG2 4.47Å; L63-L96 HydrophobicContact CD1-CD1 3.75Å; L63-L96 HydrophobicContact CD1-CD2 4.44Å; L63-L96 HydrophobicContact CD1-CG 3.85Å
64	S	98.2	Very high	95.5	Very high	58 Å²	58	60 Å²	60	41%	0.406	30%	0.295	S	S	.	.	H	α-helix	trans	-58.4	-48.1	174.4	-166.5	0	0	0	0	111.4	E60 P61 I62 L66 R67 D68	E60-S64 PolarHBondContact O-N 3.38Å; P61-S64 WeakPolarHBondContact O-CB 3.44Å; P61-S64 PolarHBondContact O-N 2.92Å; I62-S64 VanDerWaalsContact C-N 3.28Å; I62-S64 PolarHBondContact O-N 3.36Å; S64-L66 VanDerWaalsContact C-N 3.35Å; S64-L66 PolarHBondContact O-N 2.93Å; S64-R67 PolarHBondContact O-N 2.83Å; S64-D68 PolarHBondContact O-N 2.94Å
65	V	98.5	Very high	95.6	Very high	12 Å²	12	63.3 Å²	63.3	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-42.7	177.7	-178.4	0	0	0	0	110.9	P61 I62 R67 D68 S69 L184 V237 M239 C245 L247	P61-V65 PolarHBondContact O-N 2.96Å; I62-V65 PolarHBondContact O-N 3.45Å; I62-V65 VanDerWaalsContact O-N 3.17Å; V65-R67 PolarHBondContact O-N 2.81Å; V65-D68 PolarHBondContact O-N 2.78Å; V65-S69 VanDerWaalsContact O-CB 3.27Å; V65-S69 WeakPolarHBondContact O-CB 3.49Å; V65-S69 PolarHBondContact O-N 2.87Å; V65-S69 VanDerWaalsContact O-N 3.1Å; V65-S69 PolarHBondContact O-OG 2.83Å; V65-L184 HydrophobicContact CG1-CD1 3.85Å; V65-V237 HydrophobicContact CG1-CG2 4.28Å; V65-V237 HydrophobicContact CG2-CB 4.46Å; V65-V237 HydrophobicContact CG2-CG1 4.02Å; V65-M239 HydrophobicContact CG2-CE 3.91Å; V65-M239 HydrophobicContact CG2-SD 3.74Å; V65-C245 HydrophobicContact CG1-CB 4.09Å; V65-L247 HydrophobicContact CG1-CD1 4.03Å
66	L	98.1	Very high	95.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-46	177.7	-76.4	168.5	0	0	0	112.1	I62 L63 S64 D68 S69 V70 F92 L96 W101 L151 L153 L184	I62-L66 HydrophobicContact CG2-CD1 4.03Å; I62-L66 HydrophobicContact CG2-CG 4.38Å; I62-L66 WeakPolarHBondContact O-CG 3.42Å; I62-L66 PolarHBondContact O-N 3.46Å; L63-L66 PolarHBondContact O-N 3.31Å; S64-L66 VanDerWaalsContact C-N 3.35Å; S64-L66 PolarHBondContact O-N 2.93Å; L66-D68 PolarHBondContact O-N 2.82Å; L66-S69 PolarHBondContact O-N 2.94Å; L66-S69 VanDerWaalsContact O-N 3.11Å; L66-V70 WeakPolarHBondContact O-CG2 3.2Å; L66-V70 PolarHBondContact O-N 3.32Å; L66-F92 HydrophobicContact CD1-CD1 4.14Å; L66-F92 HydrophobicContact CD1-CD2 4Å; L66-F92 HydrophobicContact CD1-CE1 4.17Å; L66-F92 HydrophobicContact CD1-CE2 4.04Å; L66-F92 HydrophobicContact CD1-CG 4.07Å; L66-F92 HydrophobicContact CD1-CZ 4.13Å; L66-L96 HydrophobicContact CB-CD1 4Å; L66-W101 HydrophobicContact CD1-CH2 4.22Å; L66-L151 HydrophobicContact CD2-CD1 4.31Å; L66-L151 HydrophobicContact CD2-CD2 3.73Å; L66-L153 HydrophobicContact CD1-CD2 4.12Å; L66-L153 HydrophobicContact CD2-CD1 4.41Å; L66-L184 HydrophobicContact CD2-CD1 3.93Å; L66-L184 HydrophobicContact CG-CD1 4.36Å
67	R	95.9	Very high	95.7	Very high	102 Å²	102	62.4 Å²	62.4	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-55.5	-40.6	177.5	-76.5	175.3	-178.4	133.7	-4.4	112	E60 L63 S64 V65 S69 L96	E60-R67 IonicContact OE1-CZ 2.71Å; E60-R67 IonicContact OE1-NH1 3.86Å; E60-R67 PolarHBondContact OE1-NH1 2.73Å; E60-R67 IonicContact OE1-NH2 3.24Å; L63-R67 HydrophobicContact CD1-CG 4.38Å; L63-R67 WeakPolarHBondContact O-CG 3.33Å; L63-R67 PolarHBondContact O-N 3.17Å; S64-R67 PolarHBondContact O-N 2.83Å; V65-R67 PolarHBondContact O-N 2.81Å; R67-S69 VanDerWaalsContact C-N 3.35Å; R67-L96 HydrophobicContact CG-CD2 3.87Å
68	D	96.1	Very high	95.8	Very high	130 Å²	130	54.1 Å²	54.1	70%	0.695	28%	0.277	S	S	*	.	H	α-helix	trans	-80.1	-16.7	-177.9	-62.8	-16.4	0	0	0	113.4	S64 V65 L66	S64-D68 PolarHBondContact O-N 2.94Å; V65-D68 PolarHBondContact O-N 2.78Å; L66-D68 PolarHBondContact O-N 2.82Å
69	S	95.7	Very high	95.8	Very high	18 Å²	18	53.8 Å²	53.8	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-104.2	-14.1	-167.3	-55.3	0	0	0	0	114.7	V65 L66 R67 L247	V65-S69 VanDerWaalsContact O-CB 3.27Å; V65-S69 WeakPolarHBondContact O-CB 3.49Å; V65-S69 PolarHBondContact O-N 2.87Å; V65-S69 VanDerWaalsContact O-N 3.1Å; V65-S69 PolarHBondContact O-OG 2.83Å; L66-S69 PolarHBondContact O-N 2.94Å; L66-S69 VanDerWaalsContact O-N 3.11Å; R67-S69 VanDerWaalsContact C-N 3.35Å; S69-L247 VanDerWaalsContact OG-CD2 3.26Å; S69-L247 WeakPolarHBondContact OG-CD2 3.39Å
70	V	90.8	Very high	95.8	Very high	17 Å²	17	51.7 Å²	51.7	10%	0.103	27%	0.266	C	S	.	.	S	Bend	trans	-127	135.5	-178.3	-54	0	0	0	0	110.9	L66 T72 L76 I99 L182	L66-V70 WeakPolarHBondContact O-CG2 3.2Å; L66-V70 PolarHBondContact O-N 3.32Å; V70-T72 HydrophobicContact CG2-CG2 3.94Å; V70-T72 PolarHBondContact O-N 2.89Å; V70-L76 HydrophobicContact CB-CD1 3.82Å; V70-L76 HydrophobicContact CG2-CD1 3.9Å; V70-I99 HydrophobicContact CG2-CD1 3.94Å; V70-L182 HydrophobicContact CG1-CD2 4.11Å
71	N	88.8	Confident	95.9	Very high	89 Å²	89	47.7 Å²	47.7	48%	0.476	25%	0.247	S	C	.	.			trans	-74.8	111.5	174.1	-177.4	-16.8	0	0	0	109.5	E73 L76	N71-E73 PolarHBondContact ND2-OE2 3.41Å; N71-E73 VanDerWaalsContact ND2-OE2 3.13Å; N71-E73 WeakPolarHBondContact OD1-CB 3.46Å; N71-E73 WeakPolarHBondContact OD1-CG 3.34Å; N71-E73 PolarHBondContact OD1-N 2.95Å; N71-E73 PolarHBondContact OD1-OE2 3.06Å; N71-L76 WeakPolarHBondContact O-CD1 3.48Å
72	T	84.4	Confident	95.8	Very high	61 Å²	61	47.3 Å²	47.3	37%	0.374	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	3.4	-177.7	54.2	0	0	0	0	115.2	V70 R74 L96 N98	V70-T72 HydrophobicContact CG2-CG2 3.94Å; V70-T72 PolarHBondContact O-N 2.89Å; T72-R74 PolarHBondContact O-N 2.95Å; T72-L96 HydrophobicContact CG2-CD2 4.23Å; T72-N98 WeakPolarHBondContact CA-ND2 3.49Å; T72-N98 WeakPolarHBondContact CB-ND2 3.42Å; T72-N98 WeakPolarHBondContact CB-OD1 3.34Å; T72-N98 PolarHBondContact O-ND2 2.69Å
73	E	89.3	Confident	95.8	Very high	174 Å²	174	47.5 Å²	47.5	81%	0.813	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.8	177.6	-62.3	173.4	153.5	0	0	113	N71	N71-E73 PolarHBondContact ND2-OE2 3.41Å; N71-E73 VanDerWaalsContact ND2-OE2 3.13Å; N71-E73 WeakPolarHBondContact OD1-CB 3.46Å; N71-E73 WeakPolarHBondContact OD1-CG 3.34Å; N71-E73 PolarHBondContact OD1-N 2.95Å; N71-E73 PolarHBondContact OD1-OE2 3.06Å
74	R	92.6	Very high	95.8	Very high	129 Å²	129	48.6 Å²	48.6	49%	0.487	26%	0.258	S	S	.	.	S	Bend	trans	-124.2	158.7	175.5	68.6	-178.1	-176.5	119.1	11.8	111.7	T72 L76 N98 D150	T72-R74 PolarHBondContact O-N 2.95Å; R74-L76 HydrophobicContact CG-CD2 3.88Å; R74-L76 PolarHBondContact O-N 3.2Å; R74-N98 PolarHBondContact O-ND2 2.59Å; R74-D150 IonicContact CZ-OD1 3.5Å; R74-D150 IonicContact NH1-OD1 3.65Å; R74-D150 IonicContact NH2-OD1 2.78Å; R74-D150 PolarHBondContact NH2-OD1 3.44Å
75	P	96.8	Very high	95.7	Very high	106 Å²	106	46.8 Å²	46.8	69%	0.688	24%	0.244	S	C	*	.			trans	-62.1	134.4	171.3	-22.3	33.8	0	0	0	111.7	N98	P75-N98 WeakPolarHBondContact CA-O 3.25Å
76	L	98.2	Very high	95.7	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	154.1	178.9	-55	-178.9	0	0	0	111.4	V70 N71 R74 N98 I99 T100 D150	V70-L76 HydrophobicContact CB-CD1 3.82Å; V70-L76 HydrophobicContact CG2-CD1 3.9Å; N71-L76 WeakPolarHBondContact O-CD1 3.48Å; R74-L76 HydrophobicContact CG-CD2 3.88Å; R74-L76 PolarHBondContact O-N 3.2Å; L76-N98 PolarHBondContact N-O 3.37Å; L76-I99 HydrophobicContact CB-CB 4.48Å; L76-I99 HydrophobicContact CB-CG1 4.09Å; L76-I99 HydrophobicContact CB-CG2 4.31Å; L76-I99 HydrophobicContact CD1-CD1 4.08Å; L76-I99 HydrophobicContact CD1-CG1 4.11Å; L76-I99 HydrophobicContact CG-CG1 4.47Å; L76-T100 PolarHBondContact O-N 2.94Å; L76-D150 WeakPolarHBondContact CA-OD2 3.47Å; L76-D150 HydrophobicContact CB-CB 4.04Å; L76-D150 HydrophobicContact CD2-CB 3.88Å; L76-D150 HydrophobicContact CG-CB 4.4Å
77	Q	98.5	Very high	95.7	Very high	60 Å²	60	46.5 Å²	46.5	28%	0.28	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.2	170.2	-61.9	-66.3	-43.6	0	0	109.9	L149 D150 L151	Q77-L149 HydrophobicContact CB-CD2 4.03Å; Q77-D150 PolarHBondContact N-OD2 3.15Å; Q77-D150 PolarHBondContact O-N 3.05Å; Q77-L151 PolarHBondContact O-N 2.82Å
78	A	98.7	Very high	95.9	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.7	178.9	0	0	0	0	0	111.6	I99 T100 W101 Q102 L151	A78-I99 HydrophobicContact CB-CG2 3.51Å; A78-T100 PolarHBondContact N-O 3.14Å; A78-W101 HydrophobicContact CB-CD2 4.03Å; A78-W101 HydrophobicContact CB-CE3 3.63Å; A78-W101 HydrophobicContact CB-CH2 4.36Å; A78-W101 HydrophobicContact CB-CZ3 3.81Å; A78-Q102 PolarHBondContact O-N 3.45Å; A78-L151 CarbonylContact C-O 3.57Å; A78-L151 VanDerWaalsContact CA-O 3.24Å; A78-L151 WeakPolarHBondContact CA-O 3.42Å; A78-L151 HydrophobicContact CB-CB 3.95Å; A78-L151 HydrophobicContact CB-CD2 4Å; A78-L151 HydrophobicContact CB-CG 4.2Å
79	L	98.9	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.1	165.6	174	64.6	0	0	0	108.7	I81 Q102 I130 L132 W141 I144 L149 L151 V152 L153 L176	L79-I81 HydrophobicContact CD1-CG1 4.49Å; L79-I81 HydrophobicContact CD2-CD1 3.84Å; L79-I81 HydrophobicContact CD2-CG1 3.8Å; L79-I81 HydrophobicContact CG-CD1 4.35Å; L79-I81 HydrophobicContact CG-CG1 3.79Å; L79-Q102 WeakPolarHBondContact CA-O 3.35Å; L79-Q102 HydrophobicContact CD1-CB 4.13Å; L79-Q102 HydrophobicContact CD1-CG 3.77Å; L79-Q102 WeakPolarHBondContact CD1-O 3.18Å; L79-I130 HydrophobicContact CD1-CD1 4.49Å; L79-L132 HydrophobicContact CD1-CD1 4.44Å; L79-L132 HydrophobicContact CD2-CD1 4.44Å; L79-W141 HydrophobicContact CD2-CE3 3.97Å; L79-W141 HydrophobicContact CD2-CZ3 4.3Å; L79-I144 HydrophobicContact CD1-CD1 3.82Å; L79-I144 HydrophobicContact CD2-CD1 3.89Å; L79-I144 HydrophobicContact CG-CD1 4.32Å; L79-L149 HydrophobicContact CB-CD1 3.5Å; L79-L149 VanDerWaalsContact CB-CD1 3.5Å; L79-L149 HydrophobicContact CB-CD2 4.46Å; L79-L149 HydrophobicContact CD2-CD1 4.03Å; L79-L149 HydrophobicContact CG-CD1 4.42Å; L79-L151 PolarHBondContact N-O 3.02Å; L79-V152 HydrophobicContact CB-CG2 4.48Å; L79-V152 CarbonylContact O-C 3.44Å; L79-V152 WeakPolarHBondContact O-CA 3.28Å; L79-L153 PolarHBondContact O-N 3.47Å; L79-L176 HydrophobicContact CD2-CD1 4.29Å
80	E	98.9	Very high	96.1	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.4	169.1	-170.5	-176.9	-128.2	0	0	108.8	S83 H88 V89 Q102 S104 L153	E80-S83 WeakPolarHBondContact CG-OG 3.31Å; E80-S83 PolarHBondContact O-OG 2.83Å; E80-S83 WeakPolarHBondContact OE2-CA 3.36Å; E80-S83 WeakPolarHBondContact OE2-CB 3.29Å; E80-S83 PolarHBondContact OE2-OG 3.39Å; E80-H88 WeakPolarHBondContact OE1-CB 3.49Å; E80-V89 WeakPolarHBondContact OE2-CB 3.35Å; E80-Q102 PolarHBondContact N-O 2.68Å; E80-S104 PolarHBondContact O-N 2.87Å; E80-S104 PolarHBondContact O-OG 3.17Å; E80-L153 WeakPolarHBondContact CA-O 3.24Å; E80-L153 HydrophobicContact CB-CB 4.49Å; E80-L153 HydrophobicContact CG-CB 4.33Å; E80-L153 HydrophobicContact CG-CD2 4.27Å; E80-L153 HydrophobicContact CG-CG 4.33Å
81	I	98.8	Very high	96.4	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.2	179.4	-62.2	178	0	0	0	108.6	L79 S104 L132 A134 W141 V152 L153 N154 M157 L169	L79-I81 HydrophobicContact CD1-CG1 4.49Å; L79-I81 HydrophobicContact CD2-CD1 3.84Å; L79-I81 HydrophobicContact CD2-CG1 3.8Å; L79-I81 HydrophobicContact CG-CD1 4.35Å; L79-I81 HydrophobicContact CG-CG1 3.79Å; I81-S104 WeakPolarHBondContact CA-OG 3.23Å; I81-L132 HydrophobicContact CG2-CD2 4.12Å; I81-A134 HydrophobicContact CG2-CB 4.24Å; I81-W141 HydrophobicContact CD1-CE3 4.13Å; I81-W141 HydrophobicContact CD1-CH2 3.78Å; I81-W141 HydrophobicContact CD1-CZ3 3.47Å; I81-W141 VanDerWaalsContact CD1-CZ3 3.47Å; I81-V152 HydrophobicContact CD1-CG1 3.81Å; I81-V152 HydrophobicContact CG1-CG1 4.3Å; I81-L153 PolarHBondContact N-O 3.36Å; I81-N154 PolarHBondContact O-ND2 3.28Å; I81-M157 HydrophobicContact CG2-SD 3.92Å; I81-L169 HydrophobicContact CB-CD1 4.42Å; I81-L169 HydrophobicContact CD1-CD1 3.63Å; I81-L169 HydrophobicContact CG2-CD1 4.5Å
82	S	98.3	Very high	96.9	Very high	27 Å²	27	31.8 Å²	31.8	19%	0.189	17%	0.168	C	C	.	.	S	Bend	trans	64.3	61.4	-170.2	-164.1	0	0	0	0	111.7	G84 S104 E105	S82-G84 PolarHBondContact O-N 3.47Å; S82-G84 VanDerWaalsContact O-N 3.13Å; S82-S104 WeakPolarHBondContact CA-O 3.25Å; S82-S104 PolarHBondContact N-O 3.16Å; S82-E105 VanDerWaalsContact C-OE2 3.27Å; S82-E105 WeakPolarHBondContact CA-OE2 3.42Å; S82-E105 PolarHBondContact OG-OE2 3.37Å
83	S	98.6	Very high	97.6	Very high	5 Å²	5	28.9 Å²	28.9	4%	0.035	15%	0.15	C	C	.	.			trans	-62.6	-11.1	176	-71.7	0	0	0	0	113.7	E80 T85 G86 P103 S104 E105	E80-S83 WeakPolarHBondContact CG-OG 3.31Å; E80-S83 PolarHBondContact O-OG 2.83Å; E80-S83 WeakPolarHBondContact OE2-CA 3.36Å; E80-S83 WeakPolarHBondContact OE2-CB 3.29Å; E80-S83 PolarHBondContact OE2-OG 3.39Å; S83-T85 PolarHBondContact O-N 3.35Å; S83-G86 PolarHBondContact O-N 2.93Å; S83-G86 VanDerWaalsContact O-N 3.07Å; S83-P103 WeakPolarHBondContact OG-CA 3.46Å; S83-P103 VanDerWaalsContact OG-CB 3.31Å; S83-P103 WeakPolarHBondContact OG-CB 3.34Å; S83-S104 PolarHBondContact N-O 3.31Å; S83-S104 PolarHBondContact OG-N 2.87Å; S83-E105 PolarHBondContact N-OE2 2.83Å
84	G	97.6	Very high	97.9	Very high	23 Å²	23	24 Å²	24	24%	0.237	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-128.8	178.4	0	0	0	0	0	111.4	S82 G86 E105 S110 I114	S82-G84 PolarHBondContact O-N 3.47Å; S82-G84 VanDerWaalsContact O-N 3.13Å; G84-G86 PolarHBondContact O-N 2.94Å; G84-E105 WeakPolarHBondContact CA-OE2 3.46Å; G84-E105 PolarHBondContact N-OE2 3.28Å; G84-S110 WeakPolarHBondContact O-CB 3.36Å; G84-I114 WeakPolarHBondContact O-CD1 3.22Å; G84-I114 WeakPolarHBondContact O-CG1 3.3Å
85	T	97.4	Very high	98.1	Very high	19 Å²	19	20.5 Å²	20.5	12%	0.117	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.9	-178.8	58	0	0	0	0	114	L50 A52 S83 Q87 S113 Y117	L50-T85 HydrophobicContact CB-CG2 3.64Å; L50-T85 WeakPolarHBondContact O-CB 3.27Å; A52-T85 HydrophobicContact CB-CG2 3.84Å; S83-T85 PolarHBondContact O-N 3.35Å; T85-Q87 PolarHBondContact OG1-OE1 3.03Å; T85-S113 WeakPolarHBondContact O-CB 3.41Å; T85-S113 PolarHBondContact O-OG 2.53Å; T85-Y117 WeakPolarHBondContact O-CD2 3.43Å; T85-Y117 WeakPolarHBondContact O-CE2 3.42Å
86	G	97.9	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	92	2.3	-175.2	0	0	0	0	0	115.2	S83 G84 H88 V89 V90	S83-G86 PolarHBondContact O-N 2.93Å; S83-G86 VanDerWaalsContact O-N 3.07Å; G84-G86 PolarHBondContact O-N 2.94Å; G86-H88 VanDerWaalsContact C-N 3.33Å; G86-H88 PolarHBondContact O-N 3.12Å; G86-V89 WeakPolarHBondContact O-CG1 3.46Å; G86-V90 WeakPolarHBondContact O-CG2 3.2Å; G86-V90 PolarHBondContact O-N 2.85Å
87	Q	98.3	Very high	97.9	Very high	6 Å²	6	24 Å²	24	3%	0.028	12%	0.12	C	C	.	.	H	α-helix	trans	-62.7	-38	177.5	-74.7	163.3	-99.3	0	0	113	A52 A55 E56 T85 V90 H91 Y117	A52-Q87 PolarHBondContact O-NE2 2.76Å; A55-Q87 HydrophobicContact CB-CB 4Å; E56-Q87 PolarHBondContact OE1-NE2 2.99Å; T85-Q87 PolarHBondContact OG1-OE1 3.03Å; Q87-V90 WeakPolarHBondContact O-CG2 3.44Å; Q87-H91 VanDerWaalsContact O-CB 3.29Å; Q87-H91 WeakPolarHBondContact O-CB 3.27Å; Q87-H91 PolarHBondContact O-N 3.49Å; Q87-Y117 HydrophobicContact CG-CE1 4.14Å; Q87-Y117 HydrophobicContact CG-CE2 4.14Å; Q87-Y117 VanDerWaalsContact CG-OH 3.29Å; Q87-Y117 WeakPolarHBondContact CG-OH 3.36Å
88	H	98.7	Very high	97.8	Very high	13 Å²	13	23.2 Å²	23.2	6%	0.06	12%	0.118	C	C	.	.	H	α-helix	trans	-68.2	-55.1	-179.4	-75.6	145.1	0	0	0	112.3	A55 N58 E80 G86 V90 H91 F92 I155	A55-H88 WeakPolarHBondContact CA-NE2 3.29Å; A55-H88 PolarHBondContact O-NE2 3.31Å; N58-H88 PolarHBondContact OD1-CE1 2.9Å; N58-H88 PolarHBondContact OD1-NE2 3.15Å; E80-H88 WeakPolarHBondContact OE1-CB 3.49Å; G86-H88 VanDerWaalsContact C-N 3.33Å; G86-H88 PolarHBondContact O-N 3.12Å; H88-V90 VanDerWaalsContact C-N 3.27Å; H88-V90 PolarHBondContact O-N 3.35Å; H88-H91 PolarHBondContact O-N 2.88Å; H88-H91 VanDerWaalsContact O-N 3.1Å; H88-F92 HydrophobicContact CB-CD2 4.2Å; H88-F92 HydrophobicContact CB-CE2 3.54Å; H88-F92 HydrophobicContact CB-CZ 3.85Å; H88-F92 AromaticContact CD2-CZ 3.84Å; H88-F92 AromaticContact CG-CZ 3.96Å; H88-F92 VanDerWaalsContact O-CD2 3.26Å; H88-F92 WeakPolarHBondContact O-CD2 3.38Å; H88-F92 WeakPolarHBondContact O-CG 3.34Å; H88-F92 PolarHBondContact O-N 3.21Å; H88-I155 HydrophobicContact CB-CD1 4.27Å
89	V	98.5	Very high	97.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-54.6	-42.4	-178.5	72	0	0	0	0	112.7	E80 G86 A93 W101 P103 I114 V126	E80-V89 WeakPolarHBondContact OE2-CB 3.35Å; G86-V89 WeakPolarHBondContact O-CG1 3.46Å; V89-A93 WeakPolarHBondContact O-CB 3.19Å; V89-A93 PolarHBondContact O-N 3.46Å; V89-W101 HydrophobicContact CG2-CB 3.59Å; V89-W101 HydrophobicContact CG2-CD2 4.45Å; V89-W101 HydrophobicContact CG2-CG 4.08Å; V89-P103 HydrophobicContact CB-CB 4.44Å; V89-P103 HydrophobicContact CG1-CB 4.28Å; V89-P103 HydrophobicContact CG2-CB 4.17Å; V89-P103 HydrophobicContact CG2-CG 4.39Å; V89-I114 HydrophobicContact CG1-CG2 4.46Å; V89-V126 HydrophobicContact CG1-CG1 4.41Å; V89-V126 HydrophobicContact CG2-CG1 3.95Å; V89-V126 HydrophobicContact CG2-CG2 4.33Å
90	V	98	Very high	97.8	Very high	5 Å²	5	25 Å²	25	3%	0.03	13%	0.129	C	C	.	.	H	α-helix	trans	-70.8	-41.2	179.5	-61.1	0	0	0	0	112	G86 Q87 H88 F92 A93 Q94 Y117 Y121 L123	G86-V90 WeakPolarHBondContact O-CG2 3.2Å; G86-V90 PolarHBondContact O-N 2.85Å; Q87-V90 WeakPolarHBondContact O-CG2 3.44Å; H88-V90 VanDerWaalsContact C-N 3.27Å; H88-V90 PolarHBondContact O-N 3.35Å; V90-F92 PolarHBondContact O-N 3.21Å; V90-A93 PolarHBondContact O-N 3.37Å; V90-Q94 VanDerWaalsContact O-CG 3.27Å; V90-Q94 WeakPolarHBondContact O-CG 3.43Å; V90-Q94 PolarHBondContact O-N 2.99Å; V90-Y117 HydrophobicContact CG1-CD1 4.43Å; V90-Y117 HydrophobicContact CG2-CD1 3.89Å; V90-Y117 HydrophobicContact CG2-CE1 4.46Å; V90-Y121 HydrophobicContact CB-CD2 4.16Å; V90-Y121 HydrophobicContact CB-CG 4.47Å; V90-Y121 HydrophobicContact CG1-CD2 4.17Å; V90-Y121 HydrophobicContact CG2-CD2 4.17Å; V90-Y121 HydrophobicContact CG2-CE2 4.1Å; V90-L123 HydrophobicContact CB-CD1 4.14Å; V90-L123 HydrophobicContact CG1-CD1 4.42Å
91	H	98.4	Very high	97.8	Very high	30 Å²	30	24.9 Å²	24.9	14%	0.139	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-45.6	177.7	-175.3	78.9	0	0	0	111.3	K59 E60 L63 Q87 H88	K59-H91 HydrophobicContact CD-CB 4.24Å; E60-H91 IonicContact OE2-CE1 3.11Å; E60-H91 PolarHBondContact OE2-CE1 3.02Å; E60-H91 IonicContact OE2-NE2 3.94Å; E60-H91 PolarHBondContact OE2-NE2 3.1Å; L63-H91 WeakPolarHBondContact CD2-NE2 3.4Å; Q87-H91 VanDerWaalsContact O-CB 3.29Å; Q87-H91 WeakPolarHBondContact O-CB 3.27Å; Q87-H91 PolarHBondContact O-N 3.49Å; H88-H91 PolarHBondContact O-N 2.88Å; H88-H91 VanDerWaalsContact O-N 3.1Å
92	F	98.4	Very high	97.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.6	-45	177.7	-55.6	-27.9	0	0	0	111.3	K59 I62 L63 L66 H88 V90 Q94 T95 L96 W101 L153 I155	K59-F92 WeakPolarHBondContact O-CE1 3.26Å; I62-F92 HydrophobicContact CB-CE1 4.44Å; I62-F92 HydrophobicContact CB-CZ 4.15Å; I62-F92 HydrophobicContact CG2-CE1 4.25Å; I62-F92 HydrophobicContact CG2-CE2 4.43Å; I62-F92 HydrophobicContact CG2-CZ 3.69Å; L63-F92 HydrophobicContact CB-CD1 4.01Å; L63-F92 HydrophobicContact CB-CE1 4Å; L63-F92 HydrophobicContact CD1-CD1 4.03Å; L63-F92 HydrophobicContact CG-CD1 4.49Å; L66-F92 HydrophobicContact CD1-CD1 4.14Å; L66-F92 HydrophobicContact CD1-CD2 4Å; L66-F92 HydrophobicContact CD1-CE1 4.17Å; L66-F92 HydrophobicContact CD1-CE2 4.04Å; L66-F92 HydrophobicContact CD1-CG 4.07Å; L66-F92 HydrophobicContact CD1-CZ 4.13Å; H88-F92 HydrophobicContact CB-CD2 4.2Å; H88-F92 HydrophobicContact CB-CE2 3.54Å; H88-F92 HydrophobicContact CB-CZ 3.85Å; H88-F92 AromaticContact CD2-CZ 3.84Å; H88-F92 AromaticContact CG-CZ 3.96Å; H88-F92 VanDerWaalsContact O-CD2 3.26Å; H88-F92 WeakPolarHBondContact O-CD2 3.38Å; H88-F92 WeakPolarHBondContact O-CG 3.34Å; H88-F92 PolarHBondContact O-N 3.21Å; V90-F92 PolarHBondContact O-N 3.21Å; F92-Q94 VanDerWaalsContact C-N 3.33Å; F92-Q94 PolarHBondContact O-N 3.32Å; F92-T95 PolarHBondContact O-N 3.22Å; F92-T95 VanDerWaalsContact O-N 3.14Å; F92-L96 WeakPolarHBondContact O-CB 3.29Å; F92-L96 PolarHBondContact O-N 3.36Å; F92-W101 HydrophobicContact CB-CH2 3.97Å; F92-W101 HydrophobicContact CB-CZ2 3.65Å; F92-W101 HydrophobicContact CD2-CH2 4.06Å; F92-W101 HydrophobicContact CD2-CZ3 4.21Å; F92-W101 HydrophobicContact CG-CH2 4.36Å; F92-W101 HydrophobicContact CG-CZ2 4.5Å; F92-L153 HydrophobicContact CD2-CD2 3.83Å; F92-L153 HydrophobicContact CE2-CD2 3.49Å; F92-L153 VanDerWaalsContact CE2-CD2 3.49Å; F92-I155 HydrophobicContact CE2-CD1 3.78Å; F92-I155 HydrophobicContact CZ-CD1 3.93Å
93	A	98.1	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.7	-32.5	-178.5	0	0	0	0	0	113.8	V89 V90 T95 W101 L123 N125 V126	V89-A93 WeakPolarHBondContact O-CB 3.19Å; V89-A93 PolarHBondContact O-N 3.46Å; V90-A93 PolarHBondContact O-N 3.37Å; A93-T95 VanDerWaalsContact C-N 3.25Å; A93-T95 PolarHBondContact O-N 2.95Å; A93-W101 HydrophobicContact CB-CG 4.43Å; A93-L123 HydrophobicContact CB-CD1 3.78Å; A93-N125 PolarHBondContact O-ND2 2.9Å; A93-V126 HydrophobicContact CB-CG2 3.29Å
94	Q	96.9	Very high	97.8	Very high	72 Å²	72	24.4 Å²	24.4	34%	0.336	12%	0.122	S	C	.	.	H	α-helix	trans	-63.8	-31.8	174.7	-76.6	175	-51.1	0	0	113	V90 F92 R97 Y121 L123	V90-Q94 VanDerWaalsContact O-CG 3.27Å; V90-Q94 WeakPolarHBondContact O-CG 3.43Å; V90-Q94 PolarHBondContact O-N 2.99Å; F92-Q94 VanDerWaalsContact C-N 3.33Å; F92-Q94 PolarHBondContact O-N 3.32Å; Q94-R97 PolarHBondContact O-NE 2.83Å; Q94-R97 VanDerWaalsContact O-NE 3.14Å; Q94-Y121 VanDerWaalsContact NE2-CD1 3.27Å; Q94-L123 HydrophobicContact CG-CD1 3.83Å; Q94-L123 HydrophobicContact CG-CD2 3.87Å; Q94-L123 HydrophobicContact CG-CG 4.5Å
95	T	95.5	Very high	97.8	Very high	55 Å²	55	24 Å²	24	34%	0.337	11%	0.114	S	C	.	.	H	α-helix	trans	-94.1	-53.1	-177.6	-59.5	0	0	0	0	112	L63 F92 A93 R97	L63-T95 HydrophobicContact CD1-CG2 4.11Å; L63-T95 HydrophobicContact CD2-CG2 4.02Å; L63-T95 HydrophobicContact CG-CG2 4.47Å; F92-T95 PolarHBondContact O-N 3.22Å; F92-T95 VanDerWaalsContact O-N 3.14Å; A93-T95 VanDerWaalsContact C-N 3.25Å; A93-T95 PolarHBondContact O-N 2.95Å; T95-R97 VanDerWaalsContact C-N 3.31Å; T95-R97 PolarHBondContact O-N 2.66Å; T95-R97 VanDerWaalsContact O-N 3.13Å
96	L	96.7	Very high	97.9	Very high	9 Å²	9	29.7 Å²	29.7	5%	0.047	14%	0.135	C	C	.	.			trans	-90.8	67.5	-174.8	-60	175.6	0	0	0	109.5	L63 L66 R67 T72 F92 N98 I99 W101 N125	L63-L96 HydrophobicContact CD1-CD1 3.75Å; L63-L96 HydrophobicContact CD1-CD2 4.44Å; L63-L96 HydrophobicContact CD1-CG 3.85Å; L66-L96 HydrophobicContact CB-CD1 4Å; R67-L96 HydrophobicContact CG-CD2 3.87Å; T72-L96 HydrophobicContact CG2-CD2 4.23Å; F92-L96 WeakPolarHBondContact O-CB 3.29Å; F92-L96 PolarHBondContact O-N 3.36Å; L96-N98 PolarHBondContact O-N 3.36Å; L96-I99 HydrophobicContact CB-CB 4.46Å; L96-I99 HydrophobicContact CB-CD1 3.85Å; L96-I99 HydrophobicContact CB-CG1 4Å; L96-I99 HydrophobicContact CD1-CD1 3.94Å; L96-I99 HydrophobicContact CG-CD1 4.4Å; L96-I99 PolarHBondContact O-N 2.88Å; L96-I99 VanDerWaalsContact O-N 3.07Å; L96-W101 HydrophobicContact CB-CZ2 4.44Å; L96-W101 HydrophobicContact CD1-CZ2 4.02Å; L96-N125 PolarHBondContact O-ND2 3.05Å
97	R	95.4	Very high	97.8	Very high	175 Å²	175	33 Å²	33	66%	0.66	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.3	-169.2	-63.7	-174.2	178	-138.3	0.9	114.4	Q94 T95 I99	Q94-R97 PolarHBondContact O-NE 2.83Å; Q94-R97 VanDerWaalsContact O-NE 3.14Å; T95-R97 VanDerWaalsContact C-N 3.31Å; T95-R97 PolarHBondContact O-N 2.66Å; T95-R97 VanDerWaalsContact O-N 3.13Å; R97-I99 VanDerWaalsContact C-N 3.27Å
98	N	95.9	Very high	97.6	Very high	43 Å²	43	41.5 Å²	41.5	23%	0.23	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-7.2	176.6	70.5	-58.5	0	0	0	112.9	T72 R74 P75 L76 L96	T72-N98 WeakPolarHBondContact CA-ND2 3.49Å; T72-N98 WeakPolarHBondContact CB-ND2 3.42Å; T72-N98 WeakPolarHBondContact CB-OD1 3.34Å; T72-N98 PolarHBondContact O-ND2 2.69Å; R74-N98 PolarHBondContact O-ND2 2.59Å; P75-N98 WeakPolarHBondContact CA-O 3.25Å; L76-N98 PolarHBondContact N-O 3.37Å; L96-N98 PolarHBondContact O-N 3.36Å
99	I	98.3	Very high	97.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.1	178.5	-49.9	-170.4	0	0	0	109.2	V70 L76 A78 L96 R97 W101 N125	V70-I99 HydrophobicContact CG2-CD1 3.94Å; L76-I99 HydrophobicContact CB-CB 4.48Å; L76-I99 HydrophobicContact CB-CG1 4.09Å; L76-I99 HydrophobicContact CB-CG2 4.31Å; L76-I99 HydrophobicContact CD1-CD1 4.08Å; L76-I99 HydrophobicContact CD1-CG1 4.11Å; L76-I99 HydrophobicContact CG-CG1 4.47Å; A78-I99 HydrophobicContact CB-CG2 3.51Å; L96-I99 HydrophobicContact CB-CB 4.46Å; L96-I99 HydrophobicContact CB-CD1 3.85Å; L96-I99 HydrophobicContact CB-CG1 4Å; L96-I99 HydrophobicContact CD1-CD1 3.94Å; L96-I99 HydrophobicContact CG-CD1 4.4Å; L96-I99 PolarHBondContact O-N 2.88Å; L96-I99 VanDerWaalsContact O-N 3.07Å; R97-I99 VanDerWaalsContact C-N 3.27Å; I99-W101 HydrophobicContact CB-CZ2 4.18Å; I99-W101 HydrophobicContact CD1-CZ2 4.02Å; I99-W101 HydrophobicContact CG2-CD2 4.1Å; I99-W101 HydrophobicContact CG2-CG 4.4Å; I99-W101 HydrophobicContact CG2-CZ2 3.89Å; I99-W101 PolarHBondContact O-NE1 2.8Å; I99-N125 WeakPolarHBondContact O-CB 3.42Å; I99-N125 PolarHBondContact O-ND2 3.26Å; I99-N125 VanDerWaalsContact O-ND2 3.07Å
100	T	98.5	Very high	97.4	Very high	38 Å²	38	47.7 Å²	47.7	23%	0.233	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.6	167.8	-56.4	0	0	0	0	109.4	L76 A78 N125 K127	L76-T100 PolarHBondContact O-N 2.94Å; A78-T100 PolarHBondContact N-O 3.14Å; T100-N125 WeakPolarHBondContact CA-O 3.44Å; T100-K127 HydrophobicContact CG2-CD 4.16Å; T100-K127 VanDerWaalsContact CG2-CE 3.48Å; T100-K127 HydrophobicContact CG2-CG 4.13Å
101	W	98.7	Very high	97.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.3	-176	-62	85.8	0	0	0	111.5	L66 A78 V89 F92 A93 L96 I99 P103 N125 K127 L151 L153	L66-W101 HydrophobicContact CD1-CH2 4.22Å; A78-W101 HydrophobicContact CB-CD2 4.03Å; A78-W101 HydrophobicContact CB-CE3 3.63Å; A78-W101 HydrophobicContact CB-CH2 4.36Å; A78-W101 HydrophobicContact CB-CZ3 3.81Å; V89-W101 HydrophobicContact CG2-CB 3.59Å; V89-W101 HydrophobicContact CG2-CD2 4.45Å; V89-W101 HydrophobicContact CG2-CG 4.08Å; F92-W101 HydrophobicContact CB-CH2 3.97Å; F92-W101 HydrophobicContact CB-CZ2 3.65Å; F92-W101 HydrophobicContact CD2-CH2 4.06Å; F92-W101 HydrophobicContact CD2-CZ3 4.21Å; F92-W101 HydrophobicContact CG-CH2 4.36Å; F92-W101 HydrophobicContact CG-CZ2 4.5Å; A93-W101 HydrophobicContact CB-CG 4.43Å; L96-W101 HydrophobicContact CB-CZ2 4.44Å; L96-W101 HydrophobicContact CD1-CZ2 4.02Å; I99-W101 HydrophobicContact CB-CZ2 4.18Å; I99-W101 HydrophobicContact CD1-CZ2 4.02Å; I99-W101 HydrophobicContact CG2-CD2 4.1Å; I99-W101 HydrophobicContact CG2-CG 4.4Å; I99-W101 HydrophobicContact CG2-CZ2 3.89Å; I99-W101 PolarHBondContact O-NE1 2.8Å; W101-P103 WeakPolarHBondContact O-CD 3.48Å; W101-N125 PolarHBondContact N-O 3.07Å; W101-K127 WeakPolarHBondContact O-CB 3.41Å; W101-K127 PolarHBondContact O-N 3.24Å; W101-L151 HydrophobicContact CH2-CD2 3.83Å; W101-L151 HydrophobicContact CZ3-CD2 4.1Å; W101-L153 HydrophobicContact CH2-CD2 4.27Å; W101-L153 HydrophobicContact CZ3-CD2 3.81Å
102	Q	98.8	Very high	97.3	Very high	24 Å²	24	49.1 Å²	49.1	11%	0.112	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	97.3	165.9	179.7	58.3	71.1	0	0	107.9	A78 L79 E80 K127 P128 I130 I144	A78-Q102 PolarHBondContact O-N 3.45Å; L79-Q102 WeakPolarHBondContact CA-O 3.35Å; L79-Q102 HydrophobicContact CD1-CB 4.13Å; L79-Q102 HydrophobicContact CD1-CG 3.77Å; L79-Q102 WeakPolarHBondContact CD1-O 3.18Å; E80-Q102 PolarHBondContact N-O 2.68Å; Q102-K127 HydrophobicContact CB-CD 4.34Å; Q102-K127 VanDerWaalsContact OE1-CD 3.25Å; Q102-P128 PolarHBondContact NE2-O 2.84Å; Q102-I130 HydrophobicContact CG-CD1 4.11Å; Q102-I130 HydrophobicContact CG-CG1 4.44Å; Q102-I144 HydrophobicContact CG-CD1 4.2Å
103	P	98.8	Very high	97.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	150.1	171.8	26.2	-28.2	0	0	0	110.5	S83 V89 W101 I114 V126 K127 A129 I130	S83-P103 WeakPolarHBondContact OG-CA 3.46Å; S83-P103 VanDerWaalsContact OG-CB 3.31Å; S83-P103 WeakPolarHBondContact OG-CB 3.34Å; V89-P103 HydrophobicContact CB-CB 4.44Å; V89-P103 HydrophobicContact CG1-CB 4.28Å; V89-P103 HydrophobicContact CG2-CB 4.17Å; V89-P103 HydrophobicContact CG2-CG 4.39Å; W101-P103 WeakPolarHBondContact O-CD 3.48Å; P103-I114 HydrophobicContact CB-CG2 3.9Å; P103-I114 HydrophobicContact CG-CG2 3.9Å; P103-V126 HydrophobicContact CG-CG1 4.02Å; P103-K127 WeakPolarHBondContact CD-O 3.45Å; P103-A129 HydrophobicContact CB-CB 4.39Å; P103-A129 HydrophobicContact CG-CB 4.05Å; P103-A129 WeakPolarHBondContact O-CA 3.27Å; P103-I130 PolarHBondContact O-N 2.85Å; P103-I130 VanDerWaalsContact O-N 3.14Å
104	S	98.8	Very high	97.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	146.6	176.2	70.8	0	0	0	0	112	E80 I81 S82 S83 I130	E80-S104 PolarHBondContact O-N 2.87Å; E80-S104 PolarHBondContact O-OG 3.17Å; I81-S104 WeakPolarHBondContact CA-OG 3.23Å; S82-S104 WeakPolarHBondContact CA-O 3.25Å; S82-S104 PolarHBondContact N-O 3.16Å; S83-S104 PolarHBondContact N-O 3.31Å; S83-S104 PolarHBondContact OG-N 2.87Å; S104-I130 VanDerWaalsContact CA-O 3.22Å; S104-I130 WeakPolarHBondContact CA-O 3.37Å; S104-I130 WeakPolarHBondContact CB-O 3.36Å
105	E	98.4	Very high	97.3	Very high	15 Å²	15	48 Å²	48	7%	0.07	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	147.9	-175.9	-176	48.8	-104.4	0	0	111.1	S82 S83 G84 D107 L111 I114 I130 H131 L132	S82-E105 VanDerWaalsContact C-OE2 3.27Å; S82-E105 WeakPolarHBondContact CA-OE2 3.42Å; S82-E105 PolarHBondContact OG-OE2 3.37Å; S83-E105 PolarHBondContact N-OE2 2.83Å; G84-E105 WeakPolarHBondContact CA-OE2 3.46Å; G84-E105 PolarHBondContact N-OE2 3.28Å; E105-D107 HydrophobicContact CG-CB 4.38Å; E105-D107 PolarHBondContact OE1-N 3.1Å; E105-D107 VanDerWaalsContact OE1-N 3.11Å; E105-L111 HydrophobicContact CB-CD2 3.75Å; E105-L111 HydrophobicContact CB-CG 3.93Å; E105-L111 HydrophobicContact CG-CG 4.45Å; E105-I114 HydrophobicContact CB-CD1 3.81Å; E105-I114 HydrophobicContact CG-CD1 4.41Å; E105-I130 PolarHBondContact N-O 2.71Å; E105-I130 VanDerWaalsContact N-O 3.1Å; E105-H131 VanDerWaalsContact O-CA 3.3Å; E105-H131 WeakPolarHBondContact O-CA 3.48Å; E105-L132 PolarHBondContact O-N 3.11Å
106	Y	97.9	Very high	97.4	Very high	139 Å²	139	45.8 Å²	45.8	55%	0.545	21%	0.211	S	C	.	.	S	Bend	trans	-85.6	-43.3	175.2	178.1	-100.9	0	0	0	110.8	R108 H131 L132 D133	Y106-R108 PolarHBondContact O-N 2.9Å; Y106-H131 PolarHBondContact O-CD2 2.9Å; Y106-H131 PolarHBondContact O-NE2 3.31Å; Y106-L132 PolarHBondContact N-O 3.07Å; Y106-D133 HydrophobicContact CD2-CB 3.77Å; Y106-D133 HydrophobicContact CE2-CB 4.02Å
107	D	96.5	Very high	97.4	Very high	68 Å²	68	46.2 Å²	46.2	36%	0.364	21%	0.213	S	C	.	.			trans	-71	123	-179.7	173.6	52.1	0	0	0	112.2	E105 Q109 S110 L111	E105-D107 HydrophobicContact CG-CB 4.38Å; E105-D107 PolarHBondContact OE1-N 3.1Å; E105-D107 VanDerWaalsContact OE1-N 3.11Å; D107-Q109 VanDerWaalsContact C-N 3.3Å; D107-Q109 PolarHBondContact O-N 3.33Å; D107-Q109 WeakPolarHBondContact OD2-CB 3.31Å; D107-Q109 PolarHBondContact OD2-N 2.9Å; D107-S110 PolarHBondContact O-N 3.09Å; D107-S110 VanDerWaalsContact OD2-CB 3.22Å; D107-S110 WeakPolarHBondContact OD2-CB 3.37Å; D107-S110 PolarHBondContact OD2-N 3.22Å; D107-S110 PolarHBondContact OD2-OG 2.89Å; D107-L111 PolarHBondContact O-N 3.27Å
108	R	95.3	Very high	97.4	Very high	186 Å²	186	40.4 Å²	40.4	70%	0.702	19%	0.191	S	C	*	.	H	α-helix	trans	-66.6	-30.2	-176.7	-65	-174.5	-176.7	-82.1	-3	113.2	Y106 A112	Y106-R108 PolarHBondContact O-N 2.9Å; R108-A112 PolarHBondContact O-N 3.39Å
109	Q	95.9	Very high	97.3	Very high	124 Å²	124	41.2 Å²	41.2	58%	0.579	20%	0.2	S	C	*	.	H	α-helix	trans	-71.4	-41.9	178.1	-167.7	-173.7	-22.3	0	0	110.6	L50 D107 A112 S113	L50-Q109 HydrophobicContact CD1-CG 4.12Å; D107-Q109 VanDerWaalsContact C-N 3.3Å; D107-Q109 PolarHBondContact O-N 3.33Å; D107-Q109 WeakPolarHBondContact OD2-CB 3.31Å; D107-Q109 PolarHBondContact OD2-N 2.9Å; Q109-A112 WeakPolarHBondContact O-CB 3.48Å; Q109-A112 PolarHBondContact O-N 3.3Å; Q109-S113 PolarHBondContact O-N 2.78Å
110	S	96.9	Very high	97.2	Very high	19 Å²	19	47 Å²	47	13%	0.133	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-39.5	174.6	-63.2	0	0	0	0	111.9	G84 D107 A112 S113 I114	G84-S110 WeakPolarHBondContact O-CB 3.36Å; D107-S110 PolarHBondContact O-N 3.09Å; D107-S110 VanDerWaalsContact OD2-CB 3.22Å; D107-S110 WeakPolarHBondContact OD2-CB 3.37Å; D107-S110 PolarHBondContact OD2-N 3.22Å; D107-S110 PolarHBondContact OD2-OG 2.89Å; S110-A112 VanDerWaalsContact C-N 3.34Å; S110-A112 PolarHBondContact O-N 2.97Å; S110-S113 WeakPolarHBondContact O-CA 3.46Å; S110-S113 VanDerWaalsContact O-CB 3.27Å; S110-S113 WeakPolarHBondContact O-CB 3.25Å; S110-S113 PolarHBondContact O-N 3.32Å; S110-I114 WeakPolarHBondContact O-CG1 3.49Å; S110-I114 PolarHBondContact O-N 3.14Å
111	L	96.9	Very high	97.1	Very high	23 Å²	23	49.4 Å²	49.4	12%	0.12	23%	0.232	C	C	.	.	H	α-helix	trans	-54.1	-48.4	168.7	-76.2	171.5	0	0	0	112.3	E105 D107 S113 I114 E115 A129 H131	E105-L111 HydrophobicContact CB-CD2 3.75Å; E105-L111 HydrophobicContact CB-CG 3.93Å; E105-L111 HydrophobicContact CG-CG 4.45Å; D107-L111 PolarHBondContact O-N 3.27Å; L111-S113 VanDerWaalsContact C-N 3.27Å; L111-S113 PolarHBondContact O-N 2.97Å; L111-I114 PolarHBondContact O-N 3.42Å; L111-E115 WeakPolarHBondContact O-CG 3.39Å; L111-E115 PolarHBondContact O-N 2.91Å; L111-E115 VanDerWaalsContact O-N 3.07Å; L111-A129 HydrophobicContact CD2-CB 3.85Å; L111-H131 HydrophobicContact CD1-CB 3.74Å
112	A	96.6	Very high	96.8	Very high	42 Å²	42	57.4 Å²	57.4	35%	0.347	27%	0.269	S	S	.	.	H	α-helix	trans	-63.3	-33.7	177.3	0	0	0	0	0	112.5	R108 Q109 S110 A116	R108-A112 PolarHBondContact O-N 3.39Å; Q109-A112 WeakPolarHBondContact O-CB 3.48Å; Q109-A112 PolarHBondContact O-N 3.3Å; S110-A112 VanDerWaalsContact C-N 3.34Å; S110-A112 PolarHBondContact O-N 2.97Å; A112-A116 PolarHBondContact O-N 2.99Å
113	S	98.1	Very high	96.6	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.007	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-47.6	173.2	-174.5	0	0	0	0	111.7	L50 T85 Q109 S110 L111 E115 A116 Y117	L50-S113 WeakPolarHBondContact CB-OG 3.05Å; L50-S113 PolarHBondContact N-OG 3.48Å; T85-S113 WeakPolarHBondContact O-CB 3.41Å; T85-S113 PolarHBondContact O-OG 2.53Å; Q109-S113 PolarHBondContact O-N 2.78Å; S110-S113 WeakPolarHBondContact O-CA 3.46Å; S110-S113 VanDerWaalsContact O-CB 3.27Å; S110-S113 WeakPolarHBondContact O-CB 3.25Å; S110-S113 PolarHBondContact O-N 3.32Å; L111-S113 VanDerWaalsContact C-N 3.27Å; L111-S113 PolarHBondContact O-N 2.97Å; S113-E115 VanDerWaalsContact C-N 3.28Å; S113-E115 PolarHBondContact O-N 2.88Å; S113-A116 WeakPolarHBondContact O-CB 3.24Å; S113-A116 PolarHBondContact O-N 2.67Å; S113-A116 VanDerWaalsContact O-N 3.09Å; S113-Y117 WeakPolarHBondContact O-CD2 3.3Å; S113-Y117 PolarHBondContact O-N 3.26Å
114	I	98.1	Very high	96.3	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-42.9	178.1	-63.2	158.1	0	0	0	110.5	G84 V89 P103 E105 S110 L111 A116 Y117 R118 A129	G84-I114 WeakPolarHBondContact O-CD1 3.22Å; G84-I114 WeakPolarHBondContact O-CG1 3.3Å; V89-I114 HydrophobicContact CG1-CG2 4.46Å; P103-I114 HydrophobicContact CB-CG2 3.9Å; P103-I114 HydrophobicContact CG-CG2 3.9Å; E105-I114 HydrophobicContact CB-CD1 3.81Å; E105-I114 HydrophobicContact CG-CD1 4.41Å; S110-I114 WeakPolarHBondContact O-CG1 3.49Å; S110-I114 PolarHBondContact O-N 3.14Å; L111-I114 PolarHBondContact O-N 3.42Å; I114-A116 VanDerWaalsContact C-N 3.34Å; I114-A116 PolarHBondContact O-N 2.77Å; I114-Y117 WeakPolarHBondContact O-CB 3.45Å; I114-Y117 PolarHBondContact O-N 2.91Å; I114-R118 PolarHBondContact O-N 3.33Å; I114-A129 HydrophobicContact CB-CB 4.21Å; I114-A129 HydrophobicContact CD1-CB 4.46Å; I114-A129 HydrophobicContact CG2-CB 3.76Å
115	E	97.3	Very high	96.3	Very high	47 Å²	47	65.9 Å²	65.9	22%	0.22	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-37.4	176.6	-66.8	-58.8	122.5	0	0	112.6	L111 S113 R118 S119 A129	L111-E115 WeakPolarHBondContact O-CG 3.39Å; L111-E115 PolarHBondContact O-N 2.91Å; L111-E115 VanDerWaalsContact O-N 3.07Å; S113-E115 VanDerWaalsContact C-N 3.28Å; S113-E115 PolarHBondContact O-N 2.88Å; E115-R118 PolarHBondContact O-N 2.91Å; E115-R118 IonicContact OE1-CZ 3.35Å; E115-R118 IonicContact OE1-NH1 2.66Å; E115-R118 PolarHBondContact OE1-NH1 3.43Å; E115-R118 IonicContact OE1-NH2 2.85Å; E115-R118 IonicContact OE2-CZ 2.67Å; E115-R118 IonicContact OE2-NH1 3.53Å; E115-R118 PolarHBondContact OE2-NH1 2.96Å; E115-R118 IonicContact OE2-NH2 3.05Å; E115-R118 PolarHBondContact OE2-NH2 2.84Å; E115-S119 WeakPolarHBondContact O-CB 3.47Å; E115-S119 PolarHBondContact O-N 2.9Å; E115-S119 PolarHBondContact O-OG 3.01Å; E115-A129 VanDerWaalsContact OE1-CB 3.23Å; E115-A129 WeakPolarHBondContact OE1-CB 3.34Å; E115-A129 PolarHBondContact OE1-N 3.19Å
116	A	96.6	Very high	96.3	Very high	8 Å²	8	65.6 Å²	65.6	7%	0.066	31%	0.309	C	S	.	.	H	α-helix	trans	-65	-44.1	174.2	0	0	0	0	0	111.6	G47 M49 A112 S113 I114 S119 H120	G47-A116 WeakPolarHBondContact O-CB 3.45Å; M49-A116 HydrophobicContact CG-CB 3.79Å; A112-A116 PolarHBondContact O-N 2.99Å; S113-A116 WeakPolarHBondContact O-CB 3.24Å; S113-A116 PolarHBondContact O-N 2.67Å; S113-A116 VanDerWaalsContact O-N 3.09Å; I114-A116 VanDerWaalsContact C-N 3.34Å; I114-A116 PolarHBondContact O-N 2.77Å; A116-S119 PolarHBondContact O-N 3.29Å; A116-H120 WeakPolarHBondContact O-CB 3.43Å; A116-H120 PolarHBondContact O-N 2.82Å
117	Y	97.4	Very high	96.3	Very high	18 Å²	18	62.6 Å²	62.6	7%	0.071	30%	0.299	C	S	.	.	H	α-helix	trans	-59.6	-47.7	172.8	-90.4	-77.5	0	0	0	111.5	M49 L50 T85 Q87 V90 S113 I114 S119 H120 Y121	M49-Y117 HydrophobicContact CB-CD2 4.02Å; M49-Y117 HydrophobicContact CB-CE2 3.59Å; M49-Y117 HydrophobicContact CG-CD1 4.28Å; M49-Y117 HydrophobicContact CG-CD2 3.73Å; M49-Y117 HydrophobicContact CG-CE1 4.35Å; M49-Y117 HydrophobicContact CG-CE2 3.81Å; M49-Y117 HydrophobicContact CG-CG 3.96Å; M49-Y117 HydrophobicContact SD-CD1 3.58Å; M49-Y117 VanDerWaalsContact SD-CD1 3.58Å; M49-Y117 HydrophobicContact SD-CD2 4.14Å; M49-Y117 HydrophobicContact SD-CE1 3.64Å; M49-Y117 HydrophobicContact SD-CE2 4.2Å; M49-Y117 HydrophobicContact SD-CG 3.83Å; L50-Y117 WeakPolarHBondContact O-CE2 3.24Å; L50-Y117 PolarHBondContact O-OH 3.39Å; T85-Y117 WeakPolarHBondContact O-CD2 3.43Å; T85-Y117 WeakPolarHBondContact O-CE2 3.42Å; Q87-Y117 HydrophobicContact CG-CE1 4.14Å; Q87-Y117 HydrophobicContact CG-CE2 4.14Å; Q87-Y117 VanDerWaalsContact CG-OH 3.29Å; Q87-Y117 WeakPolarHBondContact CG-OH 3.36Å; V90-Y117 HydrophobicContact CG1-CD1 4.43Å; V90-Y117 HydrophobicContact CG2-CD1 3.89Å; V90-Y117 HydrophobicContact CG2-CE1 4.46Å; S113-Y117 WeakPolarHBondContact O-CD2 3.3Å; S113-Y117 PolarHBondContact O-N 3.26Å; I114-Y117 WeakPolarHBondContact O-CB 3.45Å; I114-Y117 PolarHBondContact O-N 2.91Å; Y117-S119 VanDerWaalsContact C-N 3.31Å; Y117-S119 PolarHBondContact O-N 3.41Å; Y117-H120 PolarHBondContact O-N 2.96Å; Y117-Y121 AromaticContact CD1-CD2 4Å; Y117-Y121 HydrophobicContact CD1-CD2 4Å; Y117-Y121 AromaticContact CD1-CE2 3.61Å; Y117-Y121 HydrophobicContact CD1-CE2 3.61Å; Y117-Y121 AromaticContact CE1-CE2 4Å; Y117-Y121 HydrophobicContact CE1-CE2 4Å; Y117-Y121 WeakPolarHBondContact O-CD2 3.37Å; Y117-Y121 PolarHBondContact O-N 3.47Å
118	R	95.3	Very high	96.4	Very high	53 Å²	53	63.2 Å²	63.2	20%	0.2	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-42.5	177.5	-167.6	179.4	73.6	-104.2	0	111.5	I114 E115 H120 Q122 V126 K127	I114-R118 PolarHBondContact O-N 3.33Å; E115-R118 PolarHBondContact O-N 2.91Å; E115-R118 IonicContact OE1-CZ 3.35Å; E115-R118 IonicContact OE1-NH1 2.66Å; E115-R118 PolarHBondContact OE1-NH1 3.43Å; E115-R118 IonicContact OE1-NH2 2.85Å; E115-R118 IonicContact OE2-CZ 2.67Å; E115-R118 IonicContact OE2-NH1 3.53Å; E115-R118 PolarHBondContact OE2-NH1 2.96Å; E115-R118 IonicContact OE2-NH2 3.05Å; E115-R118 PolarHBondContact OE2-NH2 2.84Å; R118-H120 VanDerWaalsContact C-N 3.35Å; R118-Q122 WeakPolarHBondContact O-CA 3.48Å; R118-Q122 PolarHBondContact O-N 3.06Å; R118-V126 WeakPolarHBondContact CD-O 3.21Å; R118-V126 HydrophobicContact CG-CB 4.41Å; R118-V126 HydrophobicContact CG-CG1 4.32Å; R118-K127 PolarHBondContact NH1-O 3.44Å
119	S	94.4	Very high	96.5	Very high	60 Å²	60	55.3 Å²	55.3	42%	0.42	28%	0.281	S	S	.	.	H	α-helix	trans	-65.7	-37.6	179.2	-58.6	0	0	0	0	112.3	E115 A116 Y117 Q122	E115-S119 WeakPolarHBondContact O-CB 3.47Å; E115-S119 PolarHBondContact O-N 2.9Å; E115-S119 PolarHBondContact O-OG 3.01Å; A116-S119 PolarHBondContact O-N 3.29Å; Y117-S119 VanDerWaalsContact C-N 3.31Å; Y117-S119 PolarHBondContact O-N 3.41Å; S119-Q122 WeakPolarHBondContact O-CG 3.2Å
120	H	96.3	Very high	96.6	Very high	121 Å²	121	51 Å²	51	56%	0.56	26%	0.261	S	S	*	.	H	α-helix	trans	-70.3	-47.6	178.8	-178	77.6	0	0	0	112.4	M49 A116 Y117 R118	M49-H120 HydrophobicContact CE-CB 4.38Å; M49-H120 HydrophobicContact SD-CB 4.03Å; A116-H120 WeakPolarHBondContact O-CB 3.43Å; A116-H120 PolarHBondContact O-N 2.82Å; Y117-H120 PolarHBondContact O-N 2.96Å; R118-H120 VanDerWaalsContact C-N 3.35Å
121	Y	95.9	Very high	96.6	Very high	89 Å²	89	53.9 Å²	53.9	35%	0.349	27%	0.273	S	S	.	.	H	α-helix	trans	-86.3	-18	-175.2	-74.6	-82.9	0	0	0	114.1	V90 Q94 Y117 L123	V90-Y121 HydrophobicContact CB-CD2 4.16Å; V90-Y121 HydrophobicContact CB-CG 4.47Å; V90-Y121 HydrophobicContact CG1-CD2 4.17Å; V90-Y121 HydrophobicContact CG2-CD2 4.17Å; V90-Y121 HydrophobicContact CG2-CE2 4.1Å; Q94-Y121 VanDerWaalsContact NE2-CD1 3.27Å; Y117-Y121 AromaticContact CD1-CD2 4Å; Y117-Y121 HydrophobicContact CD1-CD2 4Å; Y117-Y121 AromaticContact CD1-CE2 3.61Å; Y117-Y121 HydrophobicContact CD1-CE2 3.61Å; Y117-Y121 AromaticContact CE1-CE2 4Å; Y117-Y121 HydrophobicContact CE1-CE2 4Å; Y117-Y121 WeakPolarHBondContact O-CD2 3.37Å; Y117-Y121 PolarHBondContact O-N 3.47Å; Y121-L123 PolarHBondContact O-N 3.09Å; Y121-L123 VanDerWaalsContact O-N 3.15Å
122	Q	93.5	Very high	96.7	Very high	167 Å²	167	53.1 Å²	53.1	78%	0.78	27%	0.268	S	S	*	.			trans	51.4	38.2	175.7	-57.7	-173.8	-36.4	0	0	114.2	R118 S119	R118-Q122 WeakPolarHBondContact O-CA 3.48Å; R118-Q122 PolarHBondContact O-N 3.06Å; S119-Q122 WeakPolarHBondContact O-CG 3.2Å
123	L	92.6	Very high	96.8	Very high	33 Å²	33	52.9 Å²	52.9	17%	0.173	26%	0.261	C	S	.	.			trans	-75.9	129.7	-178.8	-56.7	173.9	0	0	0	110.8	V90 A93 Q94 Y121 N125 V126	V90-L123 HydrophobicContact CB-CD1 4.14Å; V90-L123 HydrophobicContact CG1-CD1 4.42Å; A93-L123 HydrophobicContact CB-CD1 3.78Å; Q94-L123 HydrophobicContact CG-CD1 3.83Å; Q94-L123 HydrophobicContact CG-CD2 3.87Å; Q94-L123 HydrophobicContact CG-CG 4.5Å; Y121-L123 PolarHBondContact O-N 3.09Å; Y121-L123 VanDerWaalsContact O-N 3.15Å; L123-N125 VanDerWaalsContact C-N 3.28Å; L123-N125 PolarHBondContact O-N 3.36Å; L123-V126 HydrophobicContact CB-CB 4.48Å; L123-V126 HydrophobicContact CB-CG2 3.96Å; L123-V126 HydrophobicContact CD1-CG2 4.05Å
124	H	94.4	Very high	96.8	Very high	163 Å²	163	53 Å²	53	76%	0.755	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.4	-179.3	59.9	-88.2	0	0	0	113.5
125	N	98.1	Very high	96.8	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.032	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	17.4	-177.9	68.3	-36.6	0	0	0	113.2	A93 L96 I99 T100 W101 L123	A93-N125 PolarHBondContact O-ND2 2.9Å; L96-N125 PolarHBondContact O-ND2 3.05Å; I99-N125 WeakPolarHBondContact O-CB 3.42Å; I99-N125 PolarHBondContact O-ND2 3.26Å; I99-N125 VanDerWaalsContact O-ND2 3.07Å; T100-N125 WeakPolarHBondContact CA-O 3.44Å; W101-N125 PolarHBondContact N-O 3.07Å; L123-N125 VanDerWaalsContact C-N 3.28Å; L123-N125 PolarHBondContact O-N 3.36Å
126	V	98.5	Very high	96.9	Very high	9 Å²	9	56.4 Å²	56.4	6%	0.055	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-119.2	121.2	170.6	-176.1	0	0	0	0	108.9	V89 A93 P103 R118 L123	V89-V126 HydrophobicContact CG1-CG1 4.41Å; V89-V126 HydrophobicContact CG2-CG1 3.95Å; V89-V126 HydrophobicContact CG2-CG2 4.33Å; A93-V126 HydrophobicContact CB-CG2 3.29Å; P103-V126 HydrophobicContact CG-CG1 4.02Å; R118-V126 WeakPolarHBondContact CD-O 3.21Å; R118-V126 HydrophobicContact CG-CB 4.41Å; R118-V126 HydrophobicContact CG-CG1 4.32Å; L123-V126 HydrophobicContact CB-CB 4.48Å; L123-V126 HydrophobicContact CB-CG2 3.96Å; L123-V126 HydrophobicContact CD1-CG2 4.05Å
127	K	98.4	Very high	96.9	Very high	77 Å²	77	58.9 Å²	58.9	34%	0.335	30%	0.298	S	S	.	.			trans	-79.3	164.3	179.6	-71	176.4	176	159	0	112.2	T100 W101 Q102 P103 R118 A129	T100-K127 HydrophobicContact CG2-CD 4.16Å; T100-K127 VanDerWaalsContact CG2-CE 3.48Å; T100-K127 HydrophobicContact CG2-CG 4.13Å; W101-K127 WeakPolarHBondContact O-CB 3.41Å; W101-K127 PolarHBondContact O-N 3.24Å; Q102-K127 HydrophobicContact CB-CD 4.34Å; Q102-K127 VanDerWaalsContact OE1-CD 3.25Å; P103-K127 WeakPolarHBondContact CD-O 3.45Å; R118-K127 PolarHBondContact NH1-O 3.44Å; K127-A129 PolarHBondContact O-N 3.07Å
128	P	97.4	Very high	96.8	Very high	81 Å²	81	59.4 Å²	59.4	53%	0.526	30%	0.301	S	S	.	.			trans	-41.9	126.5	158.6	-31.4	39.6	0	0	0	112.7	Q102	Q102-P128 PolarHBondContact NE2-O 2.84Å
129	A	97.8	Very high	96.9	Very high	20 Å²	20	63 Å²	63	17%	0.165	32%	0.32	C	S	.	.			trans	-65.3	138.9	175.5	0	0	0	0	0	110	P103 L111 I114 E115 K127	P103-A129 HydrophobicContact CB-CB 4.39Å; P103-A129 HydrophobicContact CG-CB 4.05Å; P103-A129 WeakPolarHBondContact O-CA 3.27Å; L111-A129 HydrophobicContact CD2-CB 3.85Å; I114-A129 HydrophobicContact CB-CB 4.21Å; I114-A129 HydrophobicContact CD1-CB 4.46Å; I114-A129 HydrophobicContact CG2-CB 3.76Å; E115-A129 VanDerWaalsContact OE1-CB 3.23Å; E115-A129 WeakPolarHBondContact OE1-CB 3.34Å; E115-A129 PolarHBondContact OE1-N 3.19Å; K127-A129 PolarHBondContact O-N 3.07Å
130	I	98.1	Very high	97	Very high	32 Å²	32	63.9 Å²	63.9	16%	0.164	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.5	176.7	60.2	174.4	0	0	0	110.2	L79 Q102 P103 S104 E105 L132 I144	L79-I130 HydrophobicContact CD1-CD1 4.49Å; Q102-I130 HydrophobicContact CG-CD1 4.11Å; Q102-I130 HydrophobicContact CG-CG1 4.44Å; P103-I130 PolarHBondContact O-N 2.85Å; P103-I130 VanDerWaalsContact O-N 3.14Å; S104-I130 VanDerWaalsContact CA-O 3.22Å; S104-I130 WeakPolarHBondContact CA-O 3.37Å; S104-I130 WeakPolarHBondContact CB-O 3.36Å; E105-I130 PolarHBondContact N-O 2.71Å; E105-I130 VanDerWaalsContact N-O 3.1Å; I130-L132 HydrophobicContact CD1-CD1 4.18Å; I130-L132 PolarHBondContact O-N 3.13Å; I130-I144 HydrophobicContact CD1-CD1 4.21Å
131	H	98	Very high	97	Very high	81 Å²	81	58.1 Å²	58.1	38%	0.375	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	122.4	167.6	178.5	-82.3	0	0	0	109	E105 Y106 L111	E105-H131 VanDerWaalsContact O-CA 3.3Å; E105-H131 WeakPolarHBondContact O-CA 3.48Å; Y106-H131 PolarHBondContact O-CD2 2.9Å; Y106-H131 PolarHBondContact O-NE2 3.31Å; L111-H131 HydrophobicContact CD1-CB 3.74Å
132	L	98.4	Very high	96.8	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	31%	0.309	C	S	.	.			trans	-139.1	121.3	-175.5	-171.3	157.4	0	0	0	110	L79 I81 E105 Y106 I130 A134 W141	L79-L132 HydrophobicContact CD1-CD1 4.44Å; L79-L132 HydrophobicContact CD2-CD1 4.44Å; I81-L132 HydrophobicContact CG2-CD2 4.12Å; E105-L132 PolarHBondContact O-N 3.11Å; Y106-L132 PolarHBondContact N-O 3.07Å; I130-L132 HydrophobicContact CD1-CD1 4.18Å; I130-L132 PolarHBondContact O-N 3.13Å; L132-A134 HydrophobicContact CD2-CB 4.28Å; L132-W141 HydrophobicContact CD1-CB 3.58Å; L132-W141 HydrophobicContact CD1-CD2 3.74Å; L132-W141 HydrophobicContact CD1-CE3 4.06Å; L132-W141 HydrophobicContact CD1-CG 3.52Å; L132-W141 HydrophobicContact CD2-CD2 4.16Å; L132-W141 HydrophobicContact CD2-CG 4.27Å; L132-W141 HydrophobicContact CG-CB 4.15Å; L132-W141 HydrophobicContact CG-CD2 4.11Å; L132-W141 HydrophobicContact CG-CG 3.75Å
133	D	98.5	Very high	96.8	Very high	37 Å²	37	51.6 Å²	51.6	20%	0.198	30%	0.303	C	S	.	.			trans	-97.3	113.2	167.2	177.3	-7.4	0	0	0	108.5	Y106 S135 Q136 W141	Y106-D133 HydrophobicContact CD2-CB 3.77Å; Y106-D133 HydrophobicContact CE2-CB 4.02Å; D133-S135 VanDerWaalsContact CG-OG 3.22Å; D133-S135 PolarHBondContact O-N 2.88Å; D133-S135 WeakPolarHBondContact OD1-CB 3.29Å; D133-S135 PolarHBondContact OD1-N 3.13Å; D133-S135 PolarHBondContact OD1-OG 2.84Å; D133-S135 PolarHBondContact OD2-OG 3.36Å; D133-Q136 HydrophobicContact CB-CG 3.76Å; D133-Q136 WeakPolarHBondContact O-CB 3.43Å; D133-Q136 PolarHBondContact O-N 2.85Å; D133-Q136 VanDerWaalsContact O-N 3.09Å; D133-Q136 PolarHBondContact OD2-NE2 3.34Å; D133-W141 PolarHBondContact O-NE1 2.85Å
134	A	98.4	Very high	97	Very high	5 Å²	5	51.3 Å²	51.3	4%	0.041	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.8	-175.4	0	0	0	0	0	112.9	I81 L132 Q136 M157 C165 G168	I81-A134 HydrophobicContact CG2-CB 4.24Å; L132-A134 HydrophobicContact CD2-CB 4.28Å; A134-Q136 VanDerWaalsContact C-N 3.27Å; A134-M157 HydrophobicContact CB-CE 4.25Å; A134-M157 HydrophobicContact CB-SD 4.12Å; A134-C165 HydrophobicContact CB-CB 4.17Å; A134-G168 CarbonylContact O-C 3.55Å; A134-G168 WeakPolarHBondContact O-CA 3.38Å
135	S	98.2	Very high	97.2	Very high	34 Å²	34	52.6 Å²	52.6	24%	0.238	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-18.5	175.3	73.3	0	0	0	0	113.1	D133	D133-S135 VanDerWaalsContact CG-OG 3.22Å; D133-S135 PolarHBondContact O-N 2.88Å; D133-S135 WeakPolarHBondContact OD1-CB 3.29Å; D133-S135 PolarHBondContact OD1-N 3.13Å; D133-S135 PolarHBondContact OD1-OG 2.84Å; D133-S135 PolarHBondContact OD2-OG 3.36Å
136	Q	98.3	Very high	97.2	Very high	85 Å²	85	56 Å²	56	40%	0.397	32%	0.322	S	S	.	.	S	Bend	trans	-82.5	156.7	-179.5	-59.7	-59.1	-38.7	0	0	111.8	D133 A134 C140 W141	D133-Q136 HydrophobicContact CB-CG 3.76Å; D133-Q136 WeakPolarHBondContact O-CB 3.43Å; D133-Q136 PolarHBondContact O-N 2.85Å; D133-Q136 VanDerWaalsContact O-N 3.09Å; D133-Q136 PolarHBondContact OD2-NE2 3.34Å; A134-Q136 VanDerWaalsContact C-N 3.27Å; Q136-C140 HydrophobicContact CB-CB 4.09Å; Q136-W141 PolarHBondContact O-NE1 3.47Å; Q136-W141 VanDerWaalsContact O-NE1 3.15Å
137	P	97.1	Very high	97.1	Very high	59 Å²	59	59.9 Å²	59.9	38%	0.383	34%	0.34	S	S	.	.			trans	-55.7	149.6	172.7	-23.4	33.9	0	0	0	112.7	Q139 C140	P137-Q139 PolarHBondContact O-N 2.9Å; P137-C140 WeakPolarHBondContact O-CB 3.4Å; P137-C140 PolarHBondContact O-N 3.18Å
138	H	96	Very high	97.1	Very high	30 Å²	30	57.5 Å²	57.5	14%	0.139	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-57.7	-23.7	-177.9	73.7	-86.7	0	0	0	113.7	C140 W141 L176	H138-C140 PolarHBondContact O-N 3.39Å; H138-W141 HydrophobicContact CB-CD2 4.33Å; H138-W141 HydrophobicContact CB-CE3 4.47Å; H138-W141 VanDerWaalsContact O-CB 3.24Å; H138-W141 WeakPolarHBondContact O-CB 3.4Å; H138-W141 PolarHBondContact O-N 2.87Å; H138-L176 HydrophobicContact CB-CD1 4.34Å; H138-L176 HydrophobicContact CB-CD2 4.4Å; H138-L176 HydrophobicContact CB-CG 4.3Å
139	Q	96.8	Very high	97.2	Very high	128 Å²	128	54 Å²	54	60%	0.598	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-60.9	-24.9	175.4	-64.1	88.2	-16.1	0	0	112.4	P137 W141	P137-Q139 PolarHBondContact O-N 2.9Å; Q139-W141 VanDerWaalsContact C-N 3.29Å
140	C	96.1	Very high	97.2	Very high	78 Å²	78	53.6 Å²	53.6	53%	0.527	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-82.1	-4.8	175.3	-61.1	0	0	0	0	113	Q136 P137 H138 G142	Q136-C140 HydrophobicContact CB-CB 4.09Å; P137-C140 WeakPolarHBondContact O-CB 3.4Å; P137-C140 PolarHBondContact O-N 3.18Å; H138-C140 PolarHBondContact O-N 3.39Å; C140-G142 PolarHBondContact O-N 2.75Å
141	W	96.8	Very high	97.2	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	51.7	-173.1	-60.6	7.3	0	0	0	111.8	L79 I81 L132 D133 Q136 H138 Q139 G143 I144 G168 L176	L79-W141 HydrophobicContact CD2-CE3 3.97Å; L79-W141 HydrophobicContact CD2-CZ3 4.3Å; I81-W141 HydrophobicContact CD1-CE3 4.13Å; I81-W141 HydrophobicContact CD1-CH2 3.78Å; I81-W141 HydrophobicContact CD1-CZ3 3.47Å; I81-W141 VanDerWaalsContact CD1-CZ3 3.47Å; L132-W141 HydrophobicContact CD1-CB 3.58Å; L132-W141 HydrophobicContact CD1-CD2 3.74Å; L132-W141 HydrophobicContact CD1-CE3 4.06Å; L132-W141 HydrophobicContact CD1-CG 3.52Å; L132-W141 HydrophobicContact CD2-CD2 4.16Å; L132-W141 HydrophobicContact CD2-CG 4.27Å; L132-W141 HydrophobicContact CG-CB 4.15Å; L132-W141 HydrophobicContact CG-CD2 4.11Å; L132-W141 HydrophobicContact CG-CG 3.75Å; D133-W141 PolarHBondContact O-NE1 2.85Å; Q136-W141 PolarHBondContact O-NE1 3.47Å; Q136-W141 VanDerWaalsContact O-NE1 3.15Å; H138-W141 HydrophobicContact CB-CD2 4.33Å; H138-W141 HydrophobicContact CB-CE3 4.47Å; H138-W141 VanDerWaalsContact O-CB 3.24Å; H138-W141 WeakPolarHBondContact O-CB 3.4Å; H138-W141 PolarHBondContact O-N 2.87Å; Q139-W141 VanDerWaalsContact C-N 3.29Å; W141-G143 VanDerWaalsContact C-N 3.33Å; W141-G143 PolarHBondContact O-N 3.03Å; W141-I144 WeakPolarHBondContact O-CD1 3.44Å; W141-I144 WeakPolarHBondContact O-CG1 3.24Å; W141-G168 WeakPolarHBondContact CH2-O 3.19Å; W141-G168 WeakPolarHBondContact CZ2-O 3.42Å; W141-L176 HydrophobicContact CD2-CD1 4.45Å; W141-L176 HydrophobicContact CE3-CD1 3.44Å; W141-L176 VanDerWaalsContact CE3-CD1 3.44Å; W141-L176 HydrophobicContact CZ3-CD1 3.87Å
142	G	90.8	Very high	97.3	Very high	55 Å²	55	48.2 Å²	48.2	57%	0.567	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	23.3	172.2	0	0	0	0	0	115.7	C140 I144	C140-G142 PolarHBondContact O-N 2.75Å; G142-I144 VanDerWaalsContact C-N 3.31Å; G142-I144 PolarHBondContact O-N 3.48Å
143	G	93.7	Very high	97.3	Very high	64 Å²	64	48 Å²	48	66%	0.66	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	19.9	175.9	0	0	0	0	0	114.7	W141 R145	W141-G143 VanDerWaalsContact C-N 3.33Å; W141-G143 PolarHBondContact O-N 3.03Å; G143-R145 PolarHBondContact O-N 3.26Å
144	I	97.4	Very high	97.3	Very high	27 Å²	27	46.2 Å²	46.2	14%	0.138	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-62	128.2	172.9	-59.7	169	0	0	0	108.6	L79 Q102 I130 W141 G142 L149 L176	L79-I144 HydrophobicContact CD1-CD1 3.82Å; L79-I144 HydrophobicContact CD2-CD1 3.89Å; L79-I144 HydrophobicContact CG-CD1 4.32Å; Q102-I144 HydrophobicContact CG-CD1 4.2Å; I130-I144 HydrophobicContact CD1-CD1 4.21Å; W141-I144 WeakPolarHBondContact O-CD1 3.44Å; W141-I144 WeakPolarHBondContact O-CG1 3.24Å; G142-I144 VanDerWaalsContact C-N 3.31Å; G142-I144 PolarHBondContact O-N 3.48Å; I144-L149 HydrophobicContact CG2-CD1 4.12Å; I144-L149 HydrophobicContact CG2-CD2 4.03Å; I144-L149 HydrophobicContact CG2-CG 4Å; I144-L176 HydrophobicContact CB-CD1 4.45Å; I144-L176 HydrophobicContact CB-CD2 4.33Å; I144-L176 HydrophobicContact CG2-CD1 4.29Å; I144-L176 HydrophobicContact CG2-CD2 4.06Å; I144-L176 WeakPolarHBondContact O-CD2 3.39Å
145	R	97.8	Very high	97.3	Very high	189 Å²	189	46.4 Å²	46.4	71%	0.713	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-72.5	146.5	-178	-64.2	-170.1	-61.9	-95.1	1.4	110.7	G143 S148	G143-R145 PolarHBondContact O-N 3.26Å; R145-S148 WeakPolarHBondContact O-CB 3.24Å; R145-S148 PolarHBondContact O-OG 2.78Å
146	P	98.1	Very high	97.3	Very high	77 Å²	77	46.5 Å²	46.5	50%	0.5	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	147.4	165.9	-26.6	35.8	0	0	0	111.7	S148 V175	P146-S148 PolarHBondContact O-N 3.27Å; P146-S148 VanDerWaalsContact O-N 3.11Å; P146-V175 WeakPolarHBondContact CA-O 3.38Å; P146-V175 HydrophobicContact CB-CG1 3.92Å; P146-V175 HydrophobicContact CG-CG1 4.04Å
147	E	97.9	Very high	97.3	Very high	92 Å²	92	43.1 Å²	43.1	43%	0.43	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	37.2	175.4	-46.5	-159.1	142.5	0	0	114.8	V175 L176 L177 K178 K250	E147-V175 PolarHBondContact N-O 3.48Å; E147-L176 CarbonylContact C-O 3.55Å; E147-L176 WeakPolarHBondContact CA-O 3.35Å; E147-L176 PolarHBondContact N-O 3.02Å; E147-L177 WeakPolarHBondContact CA-O 3.47Å; E147-K178 WeakPolarHBondContact O-CG 3.39Å; E147-K250 IonicContact OE1-NZ 3.7Å; E147-K250 PolarHBondContact OE1-NZ 3.11Å
148	S	98.1	Very high	97.4	Very high	26 Å²	26	40.5 Å²	40.5	18%	0.182	23%	0.233	C	C	.	.			trans	-112.8	-13.5	-177.1	70.9	0	0	0	0	113.9	R145 P146 L176 K178	R145-S148 WeakPolarHBondContact O-CB 3.24Å; R145-S148 PolarHBondContact O-OG 2.78Å; P146-S148 PolarHBondContact O-N 3.27Å; P146-S148 VanDerWaalsContact O-N 3.11Å; S148-L176 PolarHBondContact N-O 3.32Å; S148-K178 VanDerWaalsContact O-CE 3.29Å; S148-K178 WeakPolarHBondContact O-CE 3.36Å
149	L	98.6	Very high	97.5	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.4	-178.4	-58	-179.1	0	0	0	111.7	Q77 L79 I144 V152 L176 L177 K178	Q77-L149 HydrophobicContact CB-CD2 4.03Å; L79-L149 HydrophobicContact CB-CD1 3.5Å; L79-L149 VanDerWaalsContact CB-CD1 3.5Å; L79-L149 HydrophobicContact CB-CD2 4.46Å; L79-L149 HydrophobicContact CD2-CD1 4.03Å; L79-L149 HydrophobicContact CG-CD1 4.42Å; I144-L149 HydrophobicContact CG2-CD1 4.12Å; I144-L149 HydrophobicContact CG2-CD2 4.03Å; I144-L149 HydrophobicContact CG2-CG 4Å; L149-V152 HydrophobicContact CD1-CG2 3.82Å; L149-L176 HydrophobicContact CD1-CB 3.88Å; L149-L176 HydrophobicContact CD1-CD1 4.34Å; L149-L176 HydrophobicContact CG-CB 4.36Å; L149-L176 PolarHBondContact N-O 2.68Å; L149-L177 HydrophobicContact CB-CD2 4.21Å; L149-L177 CarbonylContact O-C 3.58Å; L149-L177 WeakPolarHBondContact O-CA 3.32Å; L149-K178 WeakPolarHBondContact O-CG 3.4Å; L149-K178 PolarHBondContact O-N 2.97Å
150	D	98.6	Very high	97.6	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.064	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-27.5	170.1	-57.1	-84.9	0	0	0	111	R74 L76 Q77 K178 G181 L182	R74-D150 IonicContact CZ-OD1 3.5Å; R74-D150 IonicContact NH1-OD1 3.65Å; R74-D150 IonicContact NH2-OD1 2.78Å; R74-D150 PolarHBondContact NH2-OD1 3.44Å; L76-D150 WeakPolarHBondContact CA-OD2 3.47Å; L76-D150 HydrophobicContact CB-CB 4.04Å; L76-D150 HydrophobicContact CD2-CB 3.88Å; L76-D150 HydrophobicContact CG-CB 4.4Å; Q77-D150 PolarHBondContact N-OD2 3.15Å; Q77-D150 PolarHBondContact O-N 3.05Å; D150-K178 WeakPolarHBondContact OD1-CD 3.27Å; D150-K178 IonicContact OD1-NZ 2.79Å; D150-K178 PolarHBondContact OD1-NZ 3.18Å; D150-K178 IonicContact OD2-NZ 2.88Å; D150-K178 PolarHBondContact OD2-NZ 3.18Å; D150-G181 WeakPolarHBondContact O-CA 3.46Å; D150-L182 PolarHBondContact O-N 3.02Å
151	L	98.8	Very high	97.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	135.1	-177.1	177	64.5	0	0	0	111.3	L66 Q77 A78 L79 W101 L182 L184	L66-L151 HydrophobicContact CD2-CD1 4.31Å; L66-L151 HydrophobicContact CD2-CD2 3.73Å; Q77-L151 PolarHBondContact O-N 2.82Å; A78-L151 CarbonylContact C-O 3.57Å; A78-L151 VanDerWaalsContact CA-O 3.24Å; A78-L151 WeakPolarHBondContact CA-O 3.42Å; A78-L151 HydrophobicContact CB-CB 3.95Å; A78-L151 HydrophobicContact CB-CD2 4Å; A78-L151 HydrophobicContact CB-CG 4.2Å; L79-L151 PolarHBondContact N-O 3.02Å; W101-L151 HydrophobicContact CH2-CD2 3.83Å; W101-L151 HydrophobicContact CZ3-CD2 4.1Å; L151-L182 CarbonylContact C-O 3.49Å; L151-L182 VanDerWaalsContact CA-O 3.3Å; L151-L182 WeakPolarHBondContact CA-O 3.45Å; L151-L182 HydrophobicContact CD1-CB 4.12Å; L151-L182 HydrophobicContact CD1-CD2 4.07Å; L151-L182 HydrophobicContact CD1-CG 4.1Å; L151-L184 HydrophobicContact CD1-CB 4.3Å
152	V	98.9	Very high	97.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.8	159.7	177.4	0	0	0	0	107.1	L79 I81 L149 L169 A173 L177 L182 L183 L184	L79-V152 HydrophobicContact CB-CG2 4.48Å; L79-V152 CarbonylContact O-C 3.44Å; L79-V152 WeakPolarHBondContact O-CA 3.28Å; I81-V152 HydrophobicContact CD1-CG1 3.81Å; I81-V152 HydrophobicContact CG1-CG1 4.3Å; L149-V152 HydrophobicContact CD1-CG2 3.82Å; V152-L169 HydrophobicContact CG1-CD1 4.21Å; V152-A173 HydrophobicContact CG2-CB 4.45Å; V152-L177 HydrophobicContact CB-CD2 4.39Å; V152-L177 HydrophobicContact CG2-CD2 3.78Å; V152-L177 HydrophobicContact CG2-CG 3.97Å; V152-L182 PolarHBondContact N-O 3.01Å; V152-L183 HydrophobicContact CB-CD1 3.94Å; V152-L183 HydrophobicContact CG1-CD1 3.68Å; V152-L183 CarbonylContact O-C 3.54Å; V152-L183 WeakPolarHBondContact O-CA 3.33Å; V152-L184 PolarHBondContact O-N 2.87Å
153	L	98.9	Very high	98.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.6	-178.4	-177.7	60.2	0	0	0	109.8	L66 L79 E80 I81 F92 W101 I155 L184	L66-L153 HydrophobicContact CD1-CD2 4.12Å; L66-L153 HydrophobicContact CD2-CD1 4.41Å; L79-L153 PolarHBondContact O-N 3.47Å; E80-L153 WeakPolarHBondContact CA-O 3.24Å; E80-L153 HydrophobicContact CB-CB 4.49Å; E80-L153 HydrophobicContact CG-CB 4.33Å; E80-L153 HydrophobicContact CG-CD2 4.27Å; E80-L153 HydrophobicContact CG-CG 4.33Å; I81-L153 PolarHBondContact N-O 3.36Å; F92-L153 HydrophobicContact CD2-CD2 3.83Å; F92-L153 HydrophobicContact CE2-CD2 3.49Å; F92-L153 VanDerWaalsContact CE2-CD2 3.49Å; W101-L153 HydrophobicContact CH2-CD2 4.27Å; W101-L153 HydrophobicContact CZ3-CD2 3.81Å; L153-I155 HydrophobicContact CD1-CD1 4.18Å; L153-I155 HydrophobicContact CD1-CG1 4Å; L153-I155 HydrophobicContact CD2-CD1 3.9Å; L153-I155 HydrophobicContact CD2-CG1 4.49Å; L153-I155 HydrophobicContact CG-CD1 4Å; L153-I155 HydrophobicContact CG-CG1 4.04Å; L153-L184 WeakPolarHBondContact CA-O 3.46Å; L153-L184 HydrophobicContact CD1-CB 4.03Å; L153-L184 HydrophobicContact CD1-CD2 3.47Å; L153-L184 VanDerWaalsContact CD1-CD2 3.47Å; L153-L184 HydrophobicContact CD1-CG 4.27Å
154	N	98.9	Very high	98.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	116.7	175.1	-176.1	-104.5	0	0	0	110.7	I81 M157 L169 L184 T185 Y186	I81-N154 PolarHBondContact O-ND2 3.28Å; N154-M157 WeakPolarHBondContact ND2-CB 3.43Å; N154-M157 PolarHBondContact ND2-SD 3.41Å; N154-L169 HydrophobicContact CB-CD1 4.16Å; N154-L169 HydrophobicContact CB-CD2 3.85Å; N154-L184 PolarHBondContact N-O 3.22Å; N154-T185 HydrophobicContact CB-CG2 4.38Å; N154-T185 CarbonylContact O-C 3.56Å; N154-T185 VanDerWaalsContact O-CA 3.25Å; N154-T185 WeakPolarHBondContact O-CA 3.45Å; N154-Y186 PolarHBondContact O-N 3.39Å
155	I	98.8	Very high	98.4	Very high	9 Å²	9	34.5 Å²	34.5	5%	0.046	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.6	-174.3	-58.9	168.1	0	0	0	108.7	I62 H88 F92 L153 M157 Y186	I62-I155 HydrophobicContact CD1-CD1 3.91Å; I62-I155 HydrophobicContact CD1-CG1 4.17Å; I62-I155 HydrophobicContact CD1-CG2 3.79Å; I62-I155 HydrophobicContact CG2-CD1 4.11Å; H88-I155 HydrophobicContact CB-CD1 4.27Å; F92-I155 HydrophobicContact CE2-CD1 3.78Å; F92-I155 HydrophobicContact CZ-CD1 3.93Å; L153-I155 HydrophobicContact CD1-CD1 4.18Å; L153-I155 HydrophobicContact CD1-CG1 4Å; L153-I155 HydrophobicContact CD2-CD1 3.9Å; L153-I155 HydrophobicContact CD2-CG1 4.49Å; L153-I155 HydrophobicContact CG-CD1 4Å; L153-I155 HydrophobicContact CG-CG1 4.04Å; I155-M157 VanDerWaalsContact C-N 3.26Å; I155-M157 PolarHBondContact O-N 2.72Å; I155-Y186 HydrophobicContact CG2-CD1 3.73Å; I155-Y186 HydrophobicContact CG2-CG 4.21Å
156	N	98	Very high	98.4	Very high	36 Å²	36	25.5 Å²	25.5	19%	0.193	15%	0.145	C	C	.	.	S	Bend	trans	57.4	25	175.2	-64.8	-34.6	0	0	0	116.4	N58 I160 Y186	N58-N156 PolarHBondContact ND2-ND2 3.45Å; N156-I160 VanDerWaalsContact O-CD1 3.26Å; N156-I160 WeakPolarHBondContact O-CD1 3.36Å; N156-I160 VanDerWaalsContact O-CG1 3.23Å; N156-I160 WeakPolarHBondContact O-CG1 3.33Å; N156-Y186 PolarHBondContact N-O 2.94Å; N156-Y186 WeakPolarHBondContact OD1-CD1 3.49Å
157	M	98.3	Very high	98.4	Very high	14 Å²	14	25.5 Å²	25.5	7%	0.069	14%	0.138	C	C	.	.			trans	-92.6	-43.7	176	-171.5	-158.1	75.2	0	0	112.8	I81 A134 N154 I155 H159 I160 S161 C165 L169	I81-M157 HydrophobicContact CG2-SD 3.92Å; A134-M157 HydrophobicContact CB-CE 4.25Å; A134-M157 HydrophobicContact CB-SD 4.12Å; N154-M157 WeakPolarHBondContact ND2-CB 3.43Å; N154-M157 PolarHBondContact ND2-SD 3.41Å; I155-M157 VanDerWaalsContact C-N 3.26Å; I155-M157 PolarHBondContact O-N 2.72Å; M157-H159 PolarHBondContact O-N 3Å; M157-I160 CarbonylContact O-C 3.55Å; M157-I160 WeakPolarHBondContact O-CG1 3.4Å; M157-I160 PolarHBondContact O-N 3.38Å; M157-S161 PolarHBondContact O-N 3.03Å; M157-S161 PolarHBondContact O-OG 3.34Å; M157-C165 HydrophobicContact CE-CB 4.17Å; M157-L169 HydrophobicContact CE-CB 4.34Å; M157-L169 HydrophobicContact CE-CD2 4.14Å
158	I	98.6	Very high	98.5	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.026	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-53	-36.3	-168.2	-73.8	170.8	0	0	0	113.3	T166 L169 T185 Y189 K217 L222	I158-T166 HydrophobicContact CG2-CG2 4.45Å; I158-L169 HydrophobicContact CD1-CD2 4.06Å; I158-L169 HydrophobicContact CG1-CD2 4.1Å; I158-T185 HydrophobicContact CD1-CG2 3.98Å; I158-Y189 HydrophobicContact CD1-CE1 4.45Å; I158-K217 HydrophobicContact CG2-CB 3.91Å; I158-K217 HydrophobicContact CG2-CG 3.44Å; I158-K217 VanDerWaalsContact CG2-CG 3.44Å; I158-L222 HydrophobicContact CD1-CD1 4.45Å; I158-L222 HydrophobicContact CG2-CD2 4.44Å
159	H	98.3	Very high	98.5	Very high	11 Å²	11	20 Å²	20	5%	0.051	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-90	-11.8	-176.6	59.5	-95.5	0	0	0	114.2	M157 F203 L207 W214 G215 L216	M157-H159 PolarHBondContact O-N 3Å; H159-F203 AromaticContact CD2-CE1 3.6Å; H159-F203 AromaticContact CD2-CZ 3.67Å; H159-F203 AromaticContact NE2-CE1 3.71Å; H159-F203 AromaticContact NE2-CZ 3.63Å; H159-L207 HydrophobicContact CB-CD1 4.09Å; H159-W214 WeakPolarHBondContact O-CB 3.43Å; H159-G215 WeakPolarHBondContact CA-O 3.46Å; H159-G215 PolarHBondContact O-N 3.44Å; H159-L216 HydrophobicContact CB-CD2 3.76Å
160	I	97.5	Very high	98.5	Very high	67 Å²	67	19.6 Å²	19.6	34%	0.344	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-113.8	24.7	177.8	62.6	169.9	0	0	0	111.9	N156 M157 L207 W214	N156-I160 VanDerWaalsContact O-CD1 3.26Å; N156-I160 WeakPolarHBondContact O-CD1 3.36Å; N156-I160 VanDerWaalsContact O-CG1 3.23Å; N156-I160 WeakPolarHBondContact O-CG1 3.33Å; M157-I160 CarbonylContact O-C 3.55Å; M157-I160 WeakPolarHBondContact O-CG1 3.4Å; M157-I160 PolarHBondContact O-N 3.38Å; I160-L207 HydrophobicContact CG2-CD2 3.54Å; I160-W214 VanDerWaalsContact C-CE2 3.46Å; I160-W214 HydrophobicContact CB-CD2 4.3Å; I160-W214 HydrophobicContact CB-CE3 4.2Å; I160-W214 HydrophobicContact CB-CH2 4.47Å; I160-W214 HydrophobicContact CB-CZ3 4.29Å; I160-W214 HydrophobicContact CG2-CE3 4.35Å; I160-W214 HydrophobicContact CG2-CZ3 4.45Å; I160-W214 VanDerWaalsContact O-CZ2 3.29Å; I160-W214 WeakPolarHBondContact O-CZ2 3.33Å; I160-W214 PolarHBondContact O-NE1 3.29Å
161	S	98.3	Very high	98.5	Very high	11 Å²	11	24.6 Å²	24.6	8%	0.077	13%	0.126	C	C	.	.	S	Bend	trans	-140.4	156.8	177.7	52.1	0	0	0	0	111.3	M157	M157-S161 PolarHBondContact O-N 3.03Å; M157-S161 PolarHBondContact O-OG 3.34Å
162	P	98.2	Very high	98.5	Very high	30 Å²	30	24.7 Å²	24.7	20%	0.195	13%	0.127	C	C	.	.			trans	-58.9	158.7	172.5	-24	34.8	0	0	0	112.4	S164 C165 E213	P162-S164 PolarHBondContact O-N 3.16Å; P162-S164 VanDerWaalsContact O-N 3.15Å; P162-C165 WeakPolarHBondContact O-CB 3.46Å; P162-C165 PolarHBondContact O-N 2.67Å; P162-E213 HydrophobicContact CB-CB 4.25Å; P162-E213 HydrophobicContact CG-CB 4.48Å
163	L	97.9	Very high	98.5	Very high	72 Å²	72	24.7 Å²	24.7	38%	0.377	13%	0.127	S	C	.	.	H	α-helix	trans	-54.9	-36.4	179.8	-172.5	60.1	0	0	0	112.8	C165 T166 E167 F221	L163-C165 PolarHBondContact O-N 2.99Å; L163-T166 WeakPolarHBondContact O-CA 3.36Å; L163-T166 WeakPolarHBondContact O-CB 3.02Å; L163-T166 PolarHBondContact O-N 3.21Å; L163-E167 HydrophobicContact CG-CG 4.42Å; L163-E167 PolarHBondContact O-N 3.17Å; L163-F221 HydrophobicContact CD1-CE1 3.55Å; L163-F221 HydrophobicContact CD1-CZ 3.44Å; L163-F221 VanDerWaalsContact CD1-CZ 3.44Å; L163-F221 HydrophobicContact CD2-CZ 4.43Å; L163-F221 HydrophobicContact CG-CZ 4.34Å
164	S	98.5	Very high	98.5	Very high	52 Å²	52	25.1 Å²	25.1	36%	0.364	13%	0.132	S	C	.	.	H	α-helix	trans	-56.7	-32.6	177.5	58.7	0	0	0	0	113.3	P162 G168	P162-S164 PolarHBondContact O-N 3.16Å; P162-S164 VanDerWaalsContact O-N 3.15Å; S164-G168 PolarHBondContact O-N 2.7Å
165	C	98.8	Very high	98.5	Very high	14 Å²	14	27.4 Å²	27.4	10%	0.095	15%	0.146	C	C	.	.	H	α-helix	trans	-70.7	-36.6	175.6	-65.1	0	0	0	0	111.7	A134 M157 P162 L163 L169	A134-C165 HydrophobicContact CB-CB 4.17Å; M157-C165 HydrophobicContact CE-CB 4.17Å; P162-C165 WeakPolarHBondContact O-CB 3.46Å; P162-C165 PolarHBondContact O-N 2.67Å; L163-C165 PolarHBondContact O-N 2.99Å; C165-L169 VanDerWaalsContact O-CB 3.24Å; C165-L169 WeakPolarHBondContact O-CB 3.13Å; C165-L169 PolarHBondContact O-N 3.49Å
166	T	98.7	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-49.3	174	-60.6	0	0	0	0	109.9	I158 L163 G168 L169 F170 F221 L222	I158-T166 HydrophobicContact CG2-CG2 4.45Å; L163-T166 WeakPolarHBondContact O-CA 3.36Å; L163-T166 WeakPolarHBondContact O-CB 3.02Å; L163-T166 PolarHBondContact O-N 3.21Å; T166-G168 VanDerWaalsContact C-N 3.32Å; T166-G168 PolarHBondContact O-N 3.15Å; T166-L169 WeakPolarHBondContact O-CB 3.21Å; T166-L169 PolarHBondContact O-N 3.27Å; T166-F170 HydrophobicContact CG2-CD2 4.12Å; T166-F170 HydrophobicContact CG2-CE2 4.05Å; T166-F170 VanDerWaalsContact O-CD2 3.31Å; T166-F170 WeakPolarHBondContact O-CD2 3.35Å; T166-F170 PolarHBondContact O-N 3.49Å; T166-F221 HydrophobicContact CG2-CE1 4.41Å; T166-L222 HydrophobicContact CG2-CD2 3.47Å; T166-L222 VanDerWaalsContact CG2-CD2 3.47Å
167	E	98.6	Very high	98.5	Very high	76 Å²	76	25.3 Å²	25.3	36%	0.355	13%	0.134	S	C	.	.	H	α-helix	trans	-60.6	-42.6	178.3	-66.3	-179.2	150.5	0	0	112.2	L163 F170 R171	L163-E167 HydrophobicContact CG-CG 4.42Å; L163-E167 PolarHBondContact O-N 3.17Å; E167-F170 PolarHBondContact O-N 3.27Å; E167-R171 VanDerWaalsContact O-CB 3.29Å; E167-R171 WeakPolarHBondContact O-CB 3.44Å; E167-R171 PolarHBondContact O-N 3.11Å
168	G	98.8	Very high	98.5	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-67.9	-36.8	177.2	0	0	0	0	0	113.3	A134 W141 S164 T166 R171 G172	A134-G168 CarbonylContact O-C 3.55Å; A134-G168 WeakPolarHBondContact O-CA 3.38Å; W141-G168 WeakPolarHBondContact CH2-O 3.19Å; W141-G168 WeakPolarHBondContact CZ2-O 3.42Å; S164-G168 PolarHBondContact O-N 2.7Å; T166-G168 VanDerWaalsContact C-N 3.32Å; T166-G168 PolarHBondContact O-N 3.15Å; G168-R171 PolarHBondContact O-N 3.41Å; G168-G172 PolarHBondContact O-N 3.49Å
169	L	98.9	Very high	98.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-54.4	-53.9	171	169.8	63.8	0	0	0	111.3	I81 V152 N154 M157 I158 C165 T166 A173 L183 T185	I81-L169 HydrophobicContact CB-CD1 4.42Å; I81-L169 HydrophobicContact CD1-CD1 3.63Å; I81-L169 HydrophobicContact CG2-CD1 4.5Å; V152-L169 HydrophobicContact CG1-CD1 4.21Å; N154-L169 HydrophobicContact CB-CD1 4.16Å; N154-L169 HydrophobicContact CB-CD2 3.85Å; M157-L169 HydrophobicContact CE-CB 4.34Å; M157-L169 HydrophobicContact CE-CD2 4.14Å; I158-L169 HydrophobicContact CD1-CD2 4.06Å; I158-L169 HydrophobicContact CG1-CD2 4.1Å; C165-L169 VanDerWaalsContact O-CB 3.24Å; C165-L169 WeakPolarHBondContact O-CB 3.13Å; C165-L169 PolarHBondContact O-N 3.49Å; T166-L169 WeakPolarHBondContact O-CB 3.21Å; T166-L169 PolarHBondContact O-N 3.27Å; L169-A173 VanDerWaalsContact O-CB 3.29Å; L169-A173 WeakPolarHBondContact O-CB 3.38Å; L169-A173 PolarHBondContact O-N 3.47Å; L169-L183 HydrophobicContact CD1-CD1 4.09Å; L169-L183 HydrophobicContact CG-CD1 4.48Å; L169-T185 HydrophobicContact CD2-CG2 4.36Å
170	F	98.9	Very high	98.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.6	-38.5	-179	-79.4	-87.9	0	0	0	112.2	T166 E167 A173 G174 L183 L222 V225 A226 F248	T166-F170 HydrophobicContact CG2-CD2 4.12Å; T166-F170 HydrophobicContact CG2-CE2 4.05Å; T166-F170 VanDerWaalsContact O-CD2 3.31Å; T166-F170 WeakPolarHBondContact O-CD2 3.35Å; T166-F170 PolarHBondContact O-N 3.49Å; E167-F170 PolarHBondContact O-N 3.27Å; F170-A173 PolarHBondContact O-N 3.12Å; F170-G174 PolarHBondContact O-N 3.25Å; F170-L183 HydrophobicContact CD1-CD2 3.63Å; F170-L183 HydrophobicContact CE1-CD2 3.55Å; F170-L183 HydrophobicContact CG-CD2 4.23Å; F170-L183 HydrophobicContact CZ-CD2 4.07Å; F170-L222 HydrophobicContact CE2-CD2 3.99Å; F170-L222 HydrophobicContact CZ-CB 4.24Å; F170-L222 HydrophobicContact CZ-CD2 4.46Å; F170-V225 HydrophobicContact CB-CG1 3.65Å; F170-V225 HydrophobicContact CD2-CG1 3.92Å; F170-V225 HydrophobicContact CG-CG1 3.84Å; F170-A226 HydrophobicContact CD1-CB 3.77Å; F170-A226 HydrophobicContact CE1-CB 3.68Å; F170-F248 HydrophobicContact CE1-CD1 4.04Å; F170-F248 AromaticContact CE1-CD2 3.82Å; F170-F248 HydrophobicContact CE1-CD2 3.82Å; F170-F248 HydrophobicContact CE1-CE1 4.06Å; F170-F248 AromaticContact CE1-CE2 3.83Å; F170-F248 HydrophobicContact CE1-CE2 3.83Å; F170-F248 AromaticContact CE1-CG 3.92Å; F170-F248 HydrophobicContact CE1-CG 3.92Å; F170-F248 AromaticContact CE1-CZ 3.96Å; F170-F248 HydrophobicContact CE1-CZ 3.96Å; F170-F248 HydrophobicContact CZ-CD2 4.1Å; F170-F248 HydrophobicContact CZ-CE1 4.4Å; F170-F248 AromaticContact CZ-CE2 3.7Å; F170-F248 HydrophobicContact CZ-CE2 3.7Å; F170-F248 AromaticContact CZ-CZ 3.87Å; F170-F248 HydrophobicContact CZ-CZ 3.87Å
171	R	98.7	Very high	98.3	Very high	118 Å²	118	30.9 Å²	30.9	45%	0.445	16%	0.164	S	C	.	.	H	α-helix	trans	-61.1	-48.4	175.2	-173.7	-173.2	-58.7	145.9	5.1	112	E167 G168 G174 V175 N229	E167-R171 VanDerWaalsContact O-CB 3.29Å; E167-R171 WeakPolarHBondContact O-CB 3.44Å; E167-R171 PolarHBondContact O-N 3.11Å; G168-R171 PolarHBondContact O-N 3.41Å; R171-G174 PolarHBondContact O-N 3.2Å; R171-V175 WeakPolarHBondContact O-CG2 3.44Å; R171-V175 PolarHBondContact O-N 2.84Å; R171-N229 VanDerWaalsContact CA-OD1 3.25Å; R171-N229 WeakPolarHBondContact CA-OD1 3.44Å
172	G	98.7	Very high	98.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-40.6	177.9	0	0	0	0	0	112	G168 G174 V175 L176	G168-G172 PolarHBondContact O-N 3.49Å; G172-G174 PolarHBondContact O-N 3.38Å; G172-V175 PolarHBondContact O-N 3.45Å; G172-L176 VanDerWaalsContact O-CB 3.32Å; G172-L176 WeakPolarHBondContact O-CB 3.49Å; G172-L176 VanDerWaalsContact O-CG 3.24Å; G172-L176 WeakPolarHBondContact O-CG 3.33Å; G172-L176 PolarHBondContact O-N 2.74Å
173	A	98.8	Very high	98.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.2	-44.6	174.3	0	0	0	0	0	112.1	V152 L169 F170 V175 L176 L177 L183 L231	V152-A173 HydrophobicContact CG2-CB 4.45Å; L169-A173 VanDerWaalsContact O-CB 3.29Å; L169-A173 WeakPolarHBondContact O-CB 3.38Å; L169-A173 PolarHBondContact O-N 3.47Å; F170-A173 PolarHBondContact O-N 3.12Å; A173-V175 VanDerWaalsContact C-N 3.25Å; A173-V175 PolarHBondContact O-N 2.92Å; A173-L176 PolarHBondContact O-N 3.12Å; A173-L177 HydrophobicContact CB-CD1 4.08Å; A173-L177 WeakPolarHBondContact O-CB 3.47Å; A173-L177 VanDerWaalsContact O-CG 3.27Å; A173-L177 WeakPolarHBondContact O-CG 3.33Å; A173-L177 PolarHBondContact O-N 2.89Å; A173-L183 HydrophobicContact CB-CB 4.25Å; A173-L183 HydrophobicContact CB-CD1 4.45Å; A173-L183 HydrophobicContact CB-CD2 3.92Å; A173-L183 HydrophobicContact CB-CG 4.44Å; A173-L231 HydrophobicContact CB-CD2 4.35Å
174	G	98.4	Very high	98.4	Very high	10 Å²	10	25.6 Å²	25.6	10%	0.103	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-34	177.3	0	0	0	0	0	113.7	F170 R171 G172 N229 K250	F170-G174 PolarHBondContact O-N 3.25Å; R171-G174 PolarHBondContact O-N 3.2Å; G172-G174 PolarHBondContact O-N 3.38Å; G174-N229 WeakPolarHBondContact CA-O 3.49Å; G174-K250 WeakPolarHBondContact O-CD 3.35Å; G174-K250 VanDerWaalsContact O-CE 3.25Å; G174-K250 WeakPolarHBondContact O-CE 3.31Å; G174-K250 PolarHBondContact O-NZ 3.38Å
175	V	98.4	Very high	98.5	Very high	48 Å²	48	23.1 Å²	23.1	29%	0.291	12%	0.116	S	C	.	.	H	α-helix	trans	-82.6	-44.4	177	178.5	0	0	0	0	112.6	P146 E147 R171 G172 A173	P146-V175 WeakPolarHBondContact CA-O 3.38Å; P146-V175 HydrophobicContact CB-CG1 3.92Å; P146-V175 HydrophobicContact CG-CG1 4.04Å; E147-V175 PolarHBondContact N-O 3.48Å; R171-V175 WeakPolarHBondContact O-CG2 3.44Å; R171-V175 PolarHBondContact O-N 2.84Å; G172-V175 PolarHBondContact O-N 3.45Å; A173-V175 VanDerWaalsContact C-N 3.25Å; A173-V175 PolarHBondContact O-N 2.92Å
176	L	98.7	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-85.5	-26.9	-168.2	-62.4	-179.7	0	0	0	113.9	L79 H138 W141 I144 E147 S148 L149 G172 A173	L79-L176 HydrophobicContact CD2-CD1 4.29Å; H138-L176 HydrophobicContact CB-CD1 4.34Å; H138-L176 HydrophobicContact CB-CD2 4.4Å; H138-L176 HydrophobicContact CB-CG 4.3Å; W141-L176 HydrophobicContact CD2-CD1 4.45Å; W141-L176 HydrophobicContact CE3-CD1 3.44Å; W141-L176 VanDerWaalsContact CE3-CD1 3.44Å; W141-L176 HydrophobicContact CZ3-CD1 3.87Å; I144-L176 HydrophobicContact CB-CD1 4.45Å; I144-L176 HydrophobicContact CB-CD2 4.33Å; I144-L176 HydrophobicContact CG2-CD1 4.29Å; I144-L176 HydrophobicContact CG2-CD2 4.06Å; I144-L176 WeakPolarHBondContact O-CD2 3.39Å; E147-L176 CarbonylContact C-O 3.55Å; E147-L176 WeakPolarHBondContact CA-O 3.35Å; E147-L176 PolarHBondContact N-O 3.02Å; S148-L176 PolarHBondContact N-O 3.32Å; L149-L176 HydrophobicContact CD1-CB 3.88Å; L149-L176 HydrophobicContact CD1-CD1 4.34Å; L149-L176 HydrophobicContact CG-CB 4.36Å; L149-L176 PolarHBondContact N-O 2.68Å; G172-L176 VanDerWaalsContact O-CB 3.32Å; G172-L176 WeakPolarHBondContact O-CB 3.49Å; G172-L176 VanDerWaalsContact O-CG 3.24Å; G172-L176 WeakPolarHBondContact O-CG 3.33Å; G172-L176 PolarHBondContact O-N 2.74Å; A173-L176 PolarHBondContact O-N 3.12Å
177	L	98.7	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	140.6	176.2	-72.5	171	0	0	0	110.7	E147 L149 V152 A173 L182 L183 L231 K250	E147-L177 WeakPolarHBondContact CA-O 3.47Å; L149-L177 HydrophobicContact CB-CD2 4.21Å; L149-L177 CarbonylContact O-C 3.58Å; L149-L177 WeakPolarHBondContact O-CA 3.32Å; V152-L177 HydrophobicContact CB-CD2 4.39Å; V152-L177 HydrophobicContact CG2-CD2 3.78Å; V152-L177 HydrophobicContact CG2-CG 3.97Å; A173-L177 HydrophobicContact CB-CD1 4.08Å; A173-L177 WeakPolarHBondContact O-CB 3.47Å; A173-L177 VanDerWaalsContact O-CG 3.27Å; A173-L177 WeakPolarHBondContact O-CG 3.33Å; A173-L177 PolarHBondContact O-N 2.89Å; L177-L182 WeakPolarHBondContact CD2-O 3.37Å; L177-L183 HydrophobicContact CD1-CB 4.09Å; L177-L231 HydrophobicContact CD1-CD2 3.91Å; L177-K250 HydrophobicContact CB-CB 4.18Å; L177-K250 HydrophobicContact CB-CD 3.84Å; L177-K250 HydrophobicContact CD1-CB 4.44Å; L177-K250 WeakPolarHBondContact O-CD 3.29Å; L177-K250 WeakPolarHBondContact O-CE 3.35Å; L177-K250 PolarHBondContact O-NZ 2.66Å
178	K	97.9	Very high	98.4	Very high	55 Å²	55	19.5 Å²	19.5	24%	0.239	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	159.2	163.5	-69.6	167.5	-171.5	168.1	0	110	E147 S148 L149 D150 Q180 G181	E147-K178 WeakPolarHBondContact O-CG 3.39Å; S148-K178 VanDerWaalsContact O-CE 3.29Å; S148-K178 WeakPolarHBondContact O-CE 3.36Å; L149-K178 WeakPolarHBondContact O-CG 3.4Å; L149-K178 PolarHBondContact O-N 2.97Å; D150-K178 WeakPolarHBondContact OD1-CD 3.27Å; D150-K178 IonicContact OD1-NZ 2.79Å; D150-K178 PolarHBondContact OD1-NZ 3.18Å; D150-K178 IonicContact OD2-NZ 2.88Å; D150-K178 PolarHBondContact OD2-NZ 3.18Å; K178-Q180 PolarHBondContact O-N 2.98Å; K178-G181 WeakPolarHBondContact O-CA 3.11Å; K178-G181 PolarHBondContact O-N 3.21Å
179	P	97	Very high	98.4	Very high	61 Å²	61	19.9 Å²	19.9	40%	0.396	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.2	134.1	160.8	-27.8	36.3	0	0	0	110.6	G181	P179-G181 PolarHBondContact O-N 3.05Å
180	Q	96.4	Very high	98.4	Very high	95 Å²	95	20.2 Å²	20.2	44%	0.444	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63	8.6	-172.4	-51.3	-62.9	91.1	0	0	116.3	K178 R249 K250 S252	K178-Q180 PolarHBondContact O-N 2.98Å; Q180-R249 WeakPolarHBondContact O-CD 3.38Å; Q180-R249 PolarHBondContact O-NH1 3.25Å; Q180-K250 WeakPolarHBondContact CA-O 3.06Å; Q180-K250 PolarHBondContact N-O 3.46Å; Q180-K250 VanDerWaalsContact N-O 3.07Å; Q180-K250 PolarHBondContact OE1-O 3.42Å; Q180-S252 WeakPolarHBondContact CG-OG 3.33Å; Q180-S252 PolarHBondContact OE1-OG 3Å
181	G	98	Very high	98.3	Very high	4 Å²	4	22.8 Å²	22.8	4%	0.041	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	154.6	170.9	0	0	0	0	0	111.8	D150 K178 P179 K250	D150-G181 WeakPolarHBondContact O-CA 3.46Å; K178-G181 WeakPolarHBondContact O-CA 3.11Å; K178-G181 PolarHBondContact O-N 3.21Å; P179-G181 PolarHBondContact O-N 3.05Å; G181-K250 PolarHBondContact O-N 3.14Å
182	L	98.7	Very high	98.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.7	-174.3	-178.4	62	0	0	0	111.4	V70 D150 L151 V152 L177 L184 L247	V70-L182 HydrophobicContact CG1-CD2 4.11Å; D150-L182 PolarHBondContact O-N 3.02Å; L151-L182 CarbonylContact C-O 3.49Å; L151-L182 VanDerWaalsContact CA-O 3.3Å; L151-L182 WeakPolarHBondContact CA-O 3.45Å; L151-L182 HydrophobicContact CD1-CB 4.12Å; L151-L182 HydrophobicContact CD1-CD2 4.07Å; L151-L182 HydrophobicContact CD1-CG 4.1Å; V152-L182 PolarHBondContact N-O 3.01Å; L177-L182 WeakPolarHBondContact CD2-O 3.37Å; L182-L184 HydrophobicContact CD2-CB 4.48Å; L182-L184 HydrophobicContact CG-CB 4.46Å; L182-L247 HydrophobicContact CD1-CB 3.82Å; L182-L247 HydrophobicContact CD1-CG 4.08Å
183	L	98.9	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	115.2	156.5	167.6	63.3	0	0	0	108.2	V152 L169 F170 A173 L177 T185 L231 F248	V152-L183 HydrophobicContact CB-CD1 3.94Å; V152-L183 HydrophobicContact CG1-CD1 3.68Å; V152-L183 CarbonylContact O-C 3.54Å; V152-L183 WeakPolarHBondContact O-CA 3.33Å; L169-L183 HydrophobicContact CD1-CD1 4.09Å; L169-L183 HydrophobicContact CG-CD1 4.48Å; F170-L183 HydrophobicContact CD1-CD2 3.63Å; F170-L183 HydrophobicContact CE1-CD2 3.55Å; F170-L183 HydrophobicContact CG-CD2 4.23Å; F170-L183 HydrophobicContact CZ-CD2 4.07Å; A173-L183 HydrophobicContact CB-CB 4.25Å; A173-L183 HydrophobicContact CB-CD1 4.45Å; A173-L183 HydrophobicContact CB-CD2 3.92Å; A173-L183 HydrophobicContact CB-CG 4.44Å; L177-L183 HydrophobicContact CD1-CB 4.09Å; L183-T185 HydrophobicContact CD1-CG2 4.01Å; L183-T185 HydrophobicContact CD2-CG2 4.35Å; L183-T185 HydrophobicContact CG-CG2 4.02Å; L183-L231 HydrophobicContact CB-CD2 4.01Å; L183-L231 HydrophobicContact CD2-CD2 4.43Å; L183-F248 HydrophobicContact CB-CB 4.19Å; L183-F248 HydrophobicContact CD2-CD2 4.39Å; L183-F248 HydrophobicContact CG-CD2 4.42Å; L183-F248 PolarHBondContact N-O 3.11Å; L183-F248 PolarHBondContact O-N 3.06Å
184	L	98.9	Very high	97.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.1	171.8	-169.5	154.3	0	0	0	109.2	V65 L66 L151 V152 L153 N154 L182 C245 L246 L247	V65-L184 HydrophobicContact CG1-CD1 3.85Å; L66-L184 HydrophobicContact CD2-CD1 3.93Å; L66-L184 HydrophobicContact CG-CD1 4.36Å; L151-L184 HydrophobicContact CD1-CB 4.3Å; V152-L184 PolarHBondContact O-N 2.87Å; L153-L184 WeakPolarHBondContact CA-O 3.46Å; L153-L184 HydrophobicContact CD1-CB 4.03Å; L153-L184 HydrophobicContact CD1-CD2 3.47Å; L153-L184 VanDerWaalsContact CD1-CD2 3.47Å; L153-L184 HydrophobicContact CD1-CG 4.27Å; N154-L184 PolarHBondContact N-O 3.22Å; L182-L184 HydrophobicContact CD2-CB 4.48Å; L182-L184 HydrophobicContact CG-CB 4.46Å; L184-C245 HydrophobicContact CD2-CB 4.4Å; L184-L246 WeakPolarHBondContact CA-O 3.27Å; L184-L247 HydrophobicContact CD1-CD1 4.08Å; L184-L247 HydrophobicContact CD1-CG 4.3Å; L184-L247 HydrophobicContact CG-CD1 4.2Å; L184-L247 HydrophobicContact CG-CG 4.5Å
185	T	98.9	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.3	172.9	70.2	0	0	0	0	110.7	N154 I158 L169 L183 Y189 C245 L246 F248	N154-T185 HydrophobicContact CB-CG2 4.38Å; N154-T185 CarbonylContact O-C 3.56Å; N154-T185 VanDerWaalsContact O-CA 3.25Å; N154-T185 WeakPolarHBondContact O-CA 3.45Å; I158-T185 HydrophobicContact CD1-CG2 3.98Å; L169-T185 HydrophobicContact CD2-CG2 4.36Å; L183-T185 HydrophobicContact CD1-CG2 4.01Å; L183-T185 HydrophobicContact CD2-CG2 4.35Å; L183-T185 HydrophobicContact CG-CG2 4.02Å; T185-Y189 WeakPolarHBondContact CB-OH 3.4Å; T185-Y189 PolarHBondContact OG1-OH 3.22Å; T185-C245 CarbonylContact O-C 3.52Å; T185-C245 VanDerWaalsContact O-CA 3.3Å; T185-C245 WeakPolarHBondContact O-CA 3.41Å; T185-L246 PolarHBondContact N-O 3.27Å; T185-L246 PolarHBondContact O-N 3.4Å; T185-L246 WeakPolarHBondContact OG1-CB 3.27Å; T185-F248 HydrophobicContact CG2-CE2 4.4Å
186	Y	98.9	Very high	97.7	Very high	8 Å²	8	36.4 Å²	36.4	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.2	174.4	174.5	-80.6	0	0	0	111.5	N58 I62 N154 I155 N156 M239 N243 K244	N58-Y186 HydrophobicContact CB-CE1 4.15Å; N58-Y186 HydrophobicContact CB-CE2 4.36Å; N58-Y186 WeakPolarHBondContact CB-OH 3.49Å; N58-Y186 WeakPolarHBondContact ND2-CE1 3.22Å; I62-Y186 HydrophobicContact CD1-CD1 3.89Å; I62-Y186 HydrophobicContact CD1-CD2 3.58Å; I62-Y186 HydrophobicContact CD1-CE1 4.24Å; I62-Y186 HydrophobicContact CD1-CE2 3.88Å; I62-Y186 HydrophobicContact CD1-CG 3.56Å; I62-Y186 HydrophobicContact CG1-CD2 3.43Å; I62-Y186 VanDerWaalsContact CG1-CD2 3.43Å; I62-Y186 HydrophobicContact CG1-CE2 3.72Å; I62-Y186 HydrophobicContact CG1-CG 3.93Å; N154-Y186 PolarHBondContact O-N 3.39Å; I155-Y186 HydrophobicContact CG2-CD1 3.73Å; I155-Y186 HydrophobicContact CG2-CG 4.21Å; N156-Y186 PolarHBondContact N-O 2.94Å; N156-Y186 WeakPolarHBondContact OD1-CD1 3.49Å; Y186-M239 HydrophobicContact CD2-CG 4.16Å; Y186-M239 HydrophobicContact CE2-CB 3.85Å; Y186-M239 HydrophobicContact CE2-CE 4.18Å; Y186-M239 HydrophobicContact CE2-CG 3.89Å; Y186-N243 HydrophobicContact CE1-CB 4.08Å; Y186-N243 HydrophobicContact CE2-CB 3.91Å; Y186-N243 WeakPolarHBondContact OH-CB 3.17Å; Y186-N243 PolarHBondContact OH-ND2 2.68Å; Y186-K244 WeakPolarHBondContact CA-O 3.44Å
187	G	98.3	Very high	97.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.3	-173.6	168.8	0	0	0	0	0	113.5	Y189 N243 K244	G187-Y189 PolarHBondContact N-OH 2.81Å; G187-Y189 WeakPolarHBondContact O-CD2 3.26Å; G187-Y189 WeakPolarHBondContact O-CE2 3.23Å; G187-N243 VanDerWaalsContact C-OD1 3.3Å; G187-N243 CarbonylContact O-C 3.42Å; G187-N243 WeakPolarHBondContact O-CA 3.47Å; G187-K244 PolarHBondContact N-O 3.33Å; G187-K244 VanDerWaalsContact N-O 3.16Å; G187-K244 PolarHBondContact O-N 3Å
188	P	98.1	Very high	97.5	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.039	25%	0.251	C	S	.	.			trans	-79	143.1	166.5	26.6	-24.6	0	0	0	110.3	F203 L216 N243	P188-F203 HydrophobicContact CG-CD1 3.97Å; P188-F203 HydrophobicContact CG-CE1 3.68Å; P188-L216 HydrophobicContact CB-CD1 4.07Å; P188-L216 HydrophobicContact CB-CD2 3.85Å; P188-L216 HydrophobicContact CG-CD2 3.56Å; P188-N243 WeakPolarHBondContact CD-OD1 3.27Å
189	Y	98.6	Very high	97.5	Very high	9 Å²	9	44.9 Å²	44.9	4%	0.035	26%	0.261	C	S	.	.			trans	-138.9	153.8	-178.1	-57.8	-81.2	0	0	0	111.1	I158 T185 G187 K217 I219 L222 K244 L246	I158-Y189 HydrophobicContact CD1-CE1 4.45Å; T185-Y189 WeakPolarHBondContact CB-OH 3.4Å; T185-Y189 PolarHBondContact OG1-OH 3.22Å; G187-Y189 PolarHBondContact N-OH 2.81Å; G187-Y189 WeakPolarHBondContact O-CD2 3.26Å; G187-Y189 WeakPolarHBondContact O-CE2 3.23Å; Y189-K217 WeakPolarHBondContact CA-O 3.45Å; Y189-I219 HydrophobicContact CG-CG1 4.16Å; Y189-L222 HydrophobicContact CD1-CD1 3.61Å; Y189-L222 HydrophobicContact CE1-CD1 3.47Å; Y189-L222 VanDerWaalsContact CE1-CD1 3.47Å; Y189-K244 HydrophobicContact CD2-CB 3.91Å; Y189-K244 HydrophobicContact CD2-CD 4.34Å; Y189-K244 HydrophobicContact CE2-CB 4.09Å; Y189-L246 HydrophobicContact CD1-CD1 4.02Å; Y189-L246 HydrophobicContact CD2-CD1 4.14Å; Y189-L246 HydrophobicContact CD2-CD2 4.39Å; Y189-L246 HydrophobicContact CD2-CG 4.26Å; Y189-L246 HydrophobicContact CE1-CD1 3.72Å; Y189-L246 HydrophobicContact CE1-CG 4.49Å; Y189-L246 HydrophobicContact CE2-CD1 3.84Å; Y189-L246 HydrophobicContact CE2-CD2 4.3Å; Y189-L246 HydrophobicContact CE2-CG 3.76Å; Y189-L246 HydrophobicContact CG-CD1 4.22Å
190	A	98.3	Very high	97.5	Very high	7 Å²	7	42.4 Å²	42.4	6%	0.058	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-79.4	151.7	162.3	0	0	0	0	0	109.9	Q194 I195 K217 D218 I219	A190-Q194 WeakPolarHBondContact CA-O 3.21Å; A190-I195 HydrophobicContact CB-CG1 3.67Å; A190-K217 PolarHBondContact N-O 3.29Å; A190-D218 VanDerWaalsContact C-OD2 3.25Å; A190-D218 HydrophobicContact CB-CB 4.11Å; A190-D218 WeakPolarHBondContact CB-OD2 3.42Å; A190-D218 WeakPolarHBondContact O-CA 3.29Å; A190-I219 PolarHBondContact O-N 3.31Å
191	V	97.4	Very high	97.6	Very high	55 Å²	55	40.4 Å²	40.4	33%	0.333	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-125.8	116.2	176.8	-173.3	0	0	0	0	108.4	G193 Q194 D218 I219	V191-G193 VanDerWaalsContact C-N 3.29Å; V191-G193 PolarHBondContact O-N 3.34Å; V191-Q194 PolarHBondContact N-O 3Å; V191-Q194 PolarHBondContact O-N 3.37Å; V191-D218 PolarHBondContact N-OD2 3.39Å; V191-I219 HydrophobicContact CG2-CD1 4.01Å
192	N	94.9	Very high	97.6	Very high	134 Å²	134	44.4 Å²	44.4	72%	0.717	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	42.6	180	-57.4	-34.2	0	0	0	113.3	Q194 D218	N192-Q194 PolarHBondContact O-N 3.17Å; N192-D218 PolarHBondContact N-OD2 3.4Å
193	G	95.4	Very high	97.6	Very high	66 Å²	66	47.4 Å²	47.4	68%	0.68	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-2.5	-178.5	0	0	0	0	0	114.4	V191 D218	V191-G193 VanDerWaalsContact C-N 3.29Å; V191-G193 PolarHBondContact O-N 3.34Å; G193-D218 WeakPolarHBondContact CA-OD2 3.46Å; G193-D218 PolarHBondContact N-OD2 3.24Å
194	Q	97.1	Very high	97.5	Very high	137 Å²	137	48.3 Å²	48.3	64%	0.64	28%	0.278	S	S	*	.	B	Isolated β-bridge	trans	-105.6	128.7	-177.6	-61.3	-171.9	4.8	0	0	111.7	A190 V191 N192	A190-Q194 WeakPolarHBondContact CA-O 3.21Å; V191-Q194 PolarHBondContact N-O 3Å; V191-Q194 PolarHBondContact O-N 3.37Å; N192-Q194 PolarHBondContact O-N 3.17Å
195	I	97.9	Very high	97.5	Very high	40 Å²	40	55.2 Å²	55.2	21%	0.205	31%	0.305	C	S	.	.			trans	-96.6	119.6	169.9	-62.6	172.7	0	0	0	108.1	A190 N200 V201 D204 L216	A190-I195 HydrophobicContact CB-CG1 3.67Å; I195-N200 VanDerWaalsContact CG2-C 3.43Å; I195-N200 HydrophobicContact CG2-CB 3.65Å; I195-V201 HydrophobicContact CB-CG2 4.11Å; I195-V201 HydrophobicContact CG2-CB 4.41Å; I195-V201 HydrophobicContact CG2-CG2 3.81Å; I195-V201 WeakPolarHBondContact O-CG2 3.41Å; I195-D204 HydrophobicContact CD1-CB 3.78Å; I195-L216 HydrophobicContact CD1-CB 4.16Å; I195-L216 HydrophobicContact CD1-CD1 4.37Å; I195-L216 HydrophobicContact CG1-CD1 4.45Å; I195-L216 HydrophobicContact CG2-CD1 3.77Å
196	T	94.8	Very high	97.5	Very high	86 Å²	86	57 Å²	57	53%	0.528	32%	0.317	S	S	.	.			trans	-141.9	157.2	174.9	60	0	0	0	0	109.8	N200	T196-N200 PolarHBondContact O-ND2 3.3Å
197	P	96.5	Very high	97.5	Very high	50 Å²	50	56.6 Å²	56.6	33%	0.325	32%	0.316	S	S	.	.	S	Bend	cis	-74.8	-172.5	-11.7	34	-35.4	0	0	0	112	S199 N200 V201 N242	P197-S199 PolarHBondContact O-N 3.43Å; P197-S199 VanDerWaalsContact O-N 3.09Å; P197-N200 WeakPolarHBondContact O-CB 3.15Å; P197-N200 PolarHBondContact O-N 2.92Å; P197-V201 PolarHBondContact O-N 3.2Å; P197-N242 VanDerWaalsContact CD-CG 3.45Å; P197-N242 HydrophobicContact CG-CB 4.21Å; P197-N242 VanDerWaalsContact CG-ND2 3.27Å; P197-N242 WeakPolarHBondContact CG-ND2 3.42Å
198	Q	97.3	Very high	97.5	Very high	117 Å²	117	61.5 Å²	61.5	55%	0.547	33%	0.334	S	S	.	.	H	α-helix	trans	-51.5	-36.1	-178.1	-172	61.2	45.3	0	0	113.3	N200 V201 D202	Q198-N200 PolarHBondContact O-N 2.73Å; Q198-V201 WeakPolarHBondContact O-CA 3.39Å; Q198-V201 WeakPolarHBondContact O-CB 3.4Å; Q198-V201 PolarHBondContact O-N 3.29Å; Q198-D202 PolarHBondContact NE2-OD1 2.86Å; Q198-D202 VanDerWaalsContact O-CG 3.28Å; Q198-D202 PolarHBondContact O-N 3.04Å
199	S	96.6	Very high	97.5	Very high	65 Å²	65	67.3 Å²	67.3	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-59.1	-33.5	176.4	64.5	0	0	0	0	113.3	P197 F203	P197-S199 PolarHBondContact O-N 3.43Å; P197-S199 VanDerWaalsContact O-N 3.09Å; S199-F203 VanDerWaalsContact O-CB 3.26Å; S199-F203 WeakPolarHBondContact O-CB 3.37Å; S199-F203 PolarHBondContact O-N 2.85Å
200	N	97.8	Very high	97.4	Very high	10 Å²	10	74.2 Å²	74.2	5%	0.053	39%	0.386	C	S	.	.	H	α-helix	trans	-76.8	-31	175.5	-78	-7.3	0	0	0	111.6	I195 T196 P197 Q198 F203 D204 L216 N242	I195-N200 VanDerWaalsContact CG2-C 3.43Å; I195-N200 HydrophobicContact CG2-CB 3.65Å; T196-N200 PolarHBondContact O-ND2 3.3Å; P197-N200 WeakPolarHBondContact O-CB 3.15Å; P197-N200 PolarHBondContact O-N 2.92Å; Q198-N200 PolarHBondContact O-N 2.73Å; N200-F203 PolarHBondContact O-N 3.32Å; N200-D204 WeakPolarHBondContact O-CB 3.36Å; N200-D204 PolarHBondContact O-N 3.22Å; N200-L216 HydrophobicContact CB-CD1 3.97Å; N200-N242 PolarHBondContact ND2-O 2.99Å
201	V	98.3	Very high	97.4	Very high	52 Å²	52	75.9 Å²	75.9	32%	0.315	39%	0.394	S	S	.	.	H	α-helix	trans	-64.8	-49.5	173.7	179.2	0	0	0	0	109.8	I195 P197 Q198 F203 D204 Y205	I195-V201 HydrophobicContact CB-CG2 4.11Å; I195-V201 HydrophobicContact CG2-CB 4.41Å; I195-V201 HydrophobicContact CG2-CG2 3.81Å; I195-V201 WeakPolarHBondContact O-CG2 3.41Å; P197-V201 PolarHBondContact O-N 3.2Å; Q198-V201 WeakPolarHBondContact O-CA 3.39Å; Q198-V201 WeakPolarHBondContact O-CB 3.4Å; Q198-V201 PolarHBondContact O-N 3.29Å; V201-F203 VanDerWaalsContact C-N 3.27Å; V201-F203 PolarHBondContact O-N 3.14Å; V201-D204 PolarHBondContact O-N 2.88Å; V201-Y205 PolarHBondContact O-N 2.98Å
202	D	98.2	Very high	97.4	Very high	89 Å²	89	78.4 Å²	78.4	48%	0.476	41%	0.412	S	S	.	.	H	α-helix	trans	-62.8	-38.8	178.2	-58.1	-23.6	0	0	0	110.8	Q198 Y205 S206	Q198-D202 PolarHBondContact NE2-OD1 2.86Å; Q198-D202 VanDerWaalsContact O-CG 3.28Å; Q198-D202 PolarHBondContact O-N 3.04Å; D202-Y205 PolarHBondContact O-N 2.99Å; D202-S206 WeakPolarHBondContact O-CB 3.39Å; D202-S206 PolarHBondContact O-N 3.25Å
203	F	97.8	Very high	97.5	Very high	64 Å²	64	77.6 Å²	77.6	28%	0.281	40%	0.404	S	S	.	.	H	α-helix	trans	-63.8	-47.6	175.2	-177.3	-123	0	0	0	112.2	H159 P188 S199 N200 V201 Y205 S206 L207 L216	H159-F203 AromaticContact CD2-CE1 3.6Å; H159-F203 AromaticContact CD2-CZ 3.67Å; H159-F203 AromaticContact NE2-CE1 3.71Å; H159-F203 AromaticContact NE2-CZ 3.63Å; P188-F203 HydrophobicContact CG-CD1 3.97Å; P188-F203 HydrophobicContact CG-CE1 3.68Å; S199-F203 VanDerWaalsContact O-CB 3.26Å; S199-F203 WeakPolarHBondContact O-CB 3.37Å; S199-F203 PolarHBondContact O-N 2.85Å; N200-F203 PolarHBondContact O-N 3.32Å; V201-F203 VanDerWaalsContact C-N 3.27Å; V201-F203 PolarHBondContact O-N 3.14Å; F203-Y205 VanDerWaalsContact C-N 3.33Å; F203-Y205 PolarHBondContact O-N 3.42Å; F203-S206 PolarHBondContact O-N 2.89Å; F203-S206 PolarHBondContact O-OG 3.49Å; F203-L207 HydrophobicContact CD1-CD1 3.93Å; F203-L207 HydrophobicContact CD2-CG 4.48Å; F203-L207 HydrophobicContact CE1-CD1 3.61Å; F203-L207 HydrophobicContact CE1-CG 4.37Å; F203-L207 HydrophobicContact CE2-CD1 4.28Å; F203-L207 HydrophobicContact CE2-CD2 4.26Å; F203-L207 HydrophobicContact CE2-CG 4.17Å; F203-L207 HydrophobicContact CG-CD1 4.4Å; F203-L207 HydrophobicContact CZ-CD1 3.8Å; F203-L207 HydrophobicContact CZ-CD2 4.12Å; F203-L207 HydrophobicContact CZ-CG 4.12Å; F203-L207 WeakPolarHBondContact O-CG 3.38Å; F203-L207 PolarHBondContact O-N 3.1Å; F203-L216 HydrophobicContact CD1-CD2 4Å; F203-L216 HydrophobicContact CE1-CD2 4.12Å
204	D	98.4	Very high	97.7	Very high	19 Å²	19	77.3 Å²	77.3	10%	0.102	38%	0.382	C	S	.	.	H	α-helix	trans	-56.6	-46.5	175	-176	72.2	0	0	0	111.7	I195 N200 V201 S206 L207 R208 G215 L216	I195-D204 HydrophobicContact CD1-CB 3.78Å; N200-D204 WeakPolarHBondContact O-CB 3.36Å; N200-D204 PolarHBondContact O-N 3.22Å; V201-D204 PolarHBondContact O-N 2.88Å; D204-S206 PolarHBondContact O-N 3.06Å; D204-L207 WeakPolarHBondContact O-CB 3.15Å; D204-L207 PolarHBondContact O-N 2.72Å; D204-L207 VanDerWaalsContact O-N 3.16Å; D204-R208 WeakPolarHBondContact O-CG 3.33Å; D204-R208 PolarHBondContact O-N 3.48Å; D204-R208 IonicContact OD1-CZ 3.64Å; D204-R208 IonicContact OD1-NE 3.3Å; D204-R208 PolarHBondContact OD1-NE 3.09Å; D204-R208 IonicContact OD1-NH2 3.2Å; D204-R208 PolarHBondContact OD1-NH2 3.27Å; D204-R208 IonicContact OD2-CZ 3.65Å; D204-R208 IonicContact OD2-NE 2.76Å; D204-R208 PolarHBondContact OD2-NE 2.89Å; D204-R208 IonicContact OD2-NH2 3.61Å; D204-G215 WeakPolarHBondContact OD1-CA 3.47Å; D204-L216 HydrophobicContact CB-CD1 4.29Å; D204-L216 HydrophobicContact CB-CG 3.97Å; D204-L216 PolarHBondContact OD1-N 2.76Å
205	Y	98.3	Very high	97.7	Very high	145 Å²	145	70.8 Å²	70.8	57%	0.569	35%	0.351	S	S	*	.	H	α-helix	trans	-58.5	-47.2	176.3	-177.9	-100.8	0	0	0	111.6	V201 D202 F203 L207 R208 Q209	V201-Y205 PolarHBondContact O-N 2.98Å; D202-Y205 PolarHBondContact O-N 2.99Å; F203-Y205 VanDerWaalsContact C-N 3.33Å; F203-Y205 PolarHBondContact O-N 3.42Å; Y205-L207 VanDerWaalsContact C-N 3.25Å; Y205-L207 PolarHBondContact O-N 3.2Å; Y205-R208 PolarHBondContact O-N 2.91Å; Y205-Q209 HydrophobicContact CD1-CG 4.25Å; Y205-Q209 HydrophobicContact CE1-CG 3.88Å; Y205-Q209 HydrophobicContact CE2-CG 4.48Å; Y205-Q209 WeakPolarHBondContact O-CG 3.12Å; Y205-Q209 PolarHBondContact O-N 2.96Å; Y205-Q209 PolarHBondContact OH-NE2 2.99Å
206	S	98.4	Very high	97.8	Very high	37 Å²	37	69.2 Å²	69.2	26%	0.259	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-29.9	178	83.7	0	0	0	0	113.6	D202 F203 D204 R210	D202-S206 WeakPolarHBondContact O-CB 3.39Å; D202-S206 PolarHBondContact O-N 3.25Å; F203-S206 PolarHBondContact O-N 2.89Å; F203-S206 PolarHBondContact O-OG 3.49Å; D204-S206 PolarHBondContact O-N 3.06Å; S206-R210 PolarHBondContact O-NE 3.27Å
207	L	98.3	Very high	97.9	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-71	-50.4	176.2	-73.1	167.8	0	0	0	110	H159 I160 F203 D204 Y205 Q209 R210 N211 W214 L216	H159-L207 HydrophobicContact CB-CD1 4.09Å; I160-L207 HydrophobicContact CG2-CD2 3.54Å; F203-L207 HydrophobicContact CD1-CD1 3.93Å; F203-L207 HydrophobicContact CD2-CG 4.48Å; F203-L207 HydrophobicContact CE1-CD1 3.61Å; F203-L207 HydrophobicContact CE1-CG 4.37Å; F203-L207 HydrophobicContact CE2-CD1 4.28Å; F203-L207 HydrophobicContact CE2-CD2 4.26Å; F203-L207 HydrophobicContact CE2-CG 4.17Å; F203-L207 HydrophobicContact CG-CD1 4.4Å; F203-L207 HydrophobicContact CZ-CD1 3.8Å; F203-L207 HydrophobicContact CZ-CD2 4.12Å; F203-L207 HydrophobicContact CZ-CG 4.12Å; F203-L207 WeakPolarHBondContact O-CG 3.38Å; F203-L207 PolarHBondContact O-N 3.1Å; D204-L207 WeakPolarHBondContact O-CB 3.15Å; D204-L207 PolarHBondContact O-N 2.72Å; D204-L207 VanDerWaalsContact O-N 3.16Å; Y205-L207 VanDerWaalsContact C-N 3.25Å; Y205-L207 PolarHBondContact O-N 3.2Å; L207-Q209 VanDerWaalsContact C-N 3.3Å; L207-Q209 PolarHBondContact O-N 3.44Å; L207-R210 VanDerWaalsContact CD2-NH2 3.33Å; L207-R210 PolarHBondContact O-N 3Å; L207-N211 PolarHBondContact O-N 3.39Å; L207-W214 HydrophobicContact CB-CB 4.12Å; L207-W214 HydrophobicContact CD2-CE3 3.91Å; L207-L216 HydrophobicContact CD1-CD2 4.21Å
208	R	98.3	Very high	98	Very high	103 Å²	103	64.9 Å²	64.9	39%	0.389	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-33.6	-178.8	-68.9	178.1	-167.5	-76.6	-3.8	113.1	D204 Y205 R210 N211 W214	D204-R208 WeakPolarHBondContact O-CG 3.33Å; D204-R208 PolarHBondContact O-N 3.48Å; D204-R208 IonicContact OD1-CZ 3.64Å; D204-R208 IonicContact OD1-NE 3.3Å; D204-R208 PolarHBondContact OD1-NE 3.09Å; D204-R208 IonicContact OD1-NH2 3.2Å; D204-R208 PolarHBondContact OD1-NH2 3.27Å; D204-R208 IonicContact OD2-CZ 3.65Å; D204-R208 IonicContact OD2-NE 2.76Å; D204-R208 PolarHBondContact OD2-NE 2.89Å; D204-R208 IonicContact OD2-NH2 3.61Å; Y205-R208 PolarHBondContact O-N 2.91Å; R208-R210 VanDerWaalsContact C-N 3.3Å; R208-R210 PolarHBondContact O-N 3.34Å; R208-N211 WeakPolarHBondContact CA-O 3.43Å; R208-N211 CarbonylContact O-C 3.2Å; R208-W214 WeakPolarHBondContact CG-O 3.35Å; R208-W214 PolarHBondContact NH1-O 2.94Å
209	Q	98.2	Very high	98.1	Very high	128 Å²	128	59.9 Å²	59.9	60%	0.598	29%	0.29	S	S	*	.	H	α-helix	trans	-62.9	-36.3	172.7	-78.2	-167.5	-34.3	0	0	112.8	Y205 L207	Y205-Q209 HydrophobicContact CD1-CG 4.25Å; Y205-Q209 HydrophobicContact CE1-CG 3.88Å; Y205-Q209 HydrophobicContact CE2-CG 4.48Å; Y205-Q209 WeakPolarHBondContact O-CG 3.12Å; Y205-Q209 PolarHBondContact O-N 2.96Å; Y205-Q209 PolarHBondContact OH-NE2 2.99Å; L207-Q209 VanDerWaalsContact C-N 3.3Å; L207-Q209 PolarHBondContact O-N 3.44Å
210	R	97.8	Very high	98.2	Very high	155 Å²	155	59.9 Å²	59.9	59%	0.585	29%	0.29	S	S	*	.	H	α-helix	trans	-78.4	-39.2	178.4	-73.4	-180	-75.4	162.7	-8.2	112	S206 L207 R208	S206-R210 PolarHBondContact O-NE 3.27Å; L207-R210 VanDerWaalsContact CD2-NH2 3.33Å; L207-R210 PolarHBondContact O-N 3Å; R208-R210 VanDerWaalsContact C-N 3.3Å; R208-R210 PolarHBondContact O-N 3.34Å
211	N	98	Very high	98.2	Very high	42 Å²	42	62.8 Å²	62.8	23%	0.225	30%	0.302	C	S	.	.			trans	-151.1	118.9	174.2	-176.1	-30.2	0	0	0	109.4	L207 R208 E213 W214	L207-N211 PolarHBondContact O-N 3.39Å; R208-N211 WeakPolarHBondContact CA-O 3.43Å; R208-N211 CarbonylContact O-C 3.2Å; N211-E213 PolarHBondContact O-N 3.06Å; N211-E213 VanDerWaalsContact O-N 3.1Å; N211-E213 WeakPolarHBondContact OD1-CB 3.26Å; N211-E213 PolarHBondContact OD1-N 3.03Å; N211-W214 HydrophobicContact CB-CB 4.32Å; N211-W214 HydrophobicContact CB-CD2 3.67Å; N211-W214 HydrophobicContact CB-CE3 4.22Å; N211-W214 HydrophobicContact CB-CG 3.7Å; N211-W214 HydrophobicContact CB-CZ2 4.49Å; N211-W214 PolarHBondContact ND2-NE1 3.16Å; N211-W214 WeakPolarHBondContact O-CB 3.35Å; N211-W214 PolarHBondContact O-N 3.37Å
212	P	97.6	Very high	98.2	Very high	108 Å²	108	60.3 Å²	60.3	70%	0.701	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.9	-179.9	-27.4	35.7	0	0	0	115.5	W214	P212-W214 VanDerWaalsContact C-N 3.32Å
213	E	97.3	Very high	98.2	Very high	117 Å²	117	58 Å²	58	55%	0.547	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.5	177.5	-57.5	-172.5	97.7	0	0	113.2	P162 N211	P162-E213 HydrophobicContact CB-CB 4.25Å; P162-E213 HydrophobicContact CG-CB 4.48Å; N211-E213 PolarHBondContact O-N 3.06Å; N211-E213 VanDerWaalsContact O-N 3.1Å; N211-E213 WeakPolarHBondContact OD1-CB 3.26Å; N211-E213 PolarHBondContact OD1-N 3.03Å
214	W	98.4	Very high	98.2	Very high	59 Å²	59	57.1 Å²	57.1	22%	0.223	28%	0.277	C	S	.	.			trans	-82.5	174.7	177.5	-66.1	6.1	0	0	0	111.5	H159 I160 L207 R208 N211 P212	H159-W214 WeakPolarHBondContact O-CB 3.43Å; I160-W214 VanDerWaalsContact C-CE2 3.46Å; I160-W214 HydrophobicContact CB-CD2 4.3Å; I160-W214 HydrophobicContact CB-CE3 4.2Å; I160-W214 HydrophobicContact CB-CH2 4.47Å; I160-W214 HydrophobicContact CB-CZ3 4.29Å; I160-W214 HydrophobicContact CG2-CE3 4.35Å; I160-W214 HydrophobicContact CG2-CZ3 4.45Å; I160-W214 VanDerWaalsContact O-CZ2 3.29Å; I160-W214 WeakPolarHBondContact O-CZ2 3.33Å; I160-W214 PolarHBondContact O-NE1 3.29Å; L207-W214 HydrophobicContact CB-CB 4.12Å; L207-W214 HydrophobicContact CD2-CE3 3.91Å; R208-W214 WeakPolarHBondContact CG-O 3.35Å; R208-W214 PolarHBondContact NH1-O 2.94Å; N211-W214 HydrophobicContact CB-CB 4.32Å; N211-W214 HydrophobicContact CB-CD2 3.67Å; N211-W214 HydrophobicContact CB-CE3 4.22Å; N211-W214 HydrophobicContact CB-CG 3.7Å; N211-W214 HydrophobicContact CB-CZ2 4.49Å; N211-W214 PolarHBondContact ND2-NE1 3.16Å; N211-W214 WeakPolarHBondContact O-CB 3.35Å; N211-W214 PolarHBondContact O-N 3.37Å; P212-W214 VanDerWaalsContact C-N 3.32Å
215	G	98.3	Very high	98.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	125.1	164.2	179	0	0	0	0	0	112.7	H159 D204 K217	H159-G215 WeakPolarHBondContact CA-O 3.46Å; H159-G215 PolarHBondContact O-N 3.44Å; D204-G215 WeakPolarHBondContact OD1-CA 3.47Å; G215-K217 PolarHBondContact O-NZ 2.89Å
216	L	98.5	Very high	98.3	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.042	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-64.9	136.3	-177.8	-54	-169.1	0	0	0	110	H159 P188 I195 N200 F203 D204 L207	H159-L216 HydrophobicContact CB-CD2 3.76Å; P188-L216 HydrophobicContact CB-CD1 4.07Å; P188-L216 HydrophobicContact CB-CD2 3.85Å; P188-L216 HydrophobicContact CG-CD2 3.56Å; I195-L216 HydrophobicContact CD1-CB 4.16Å; I195-L216 HydrophobicContact CD1-CD1 4.37Å; I195-L216 HydrophobicContact CG1-CD1 4.45Å; I195-L216 HydrophobicContact CG2-CD1 3.77Å; N200-L216 HydrophobicContact CB-CD1 3.97Å; F203-L216 HydrophobicContact CD1-CD2 4Å; F203-L216 HydrophobicContact CE1-CD2 4.12Å; D204-L216 HydrophobicContact CB-CD1 4.29Å; D204-L216 HydrophobicContact CB-CG 3.97Å; D204-L216 PolarHBondContact OD1-N 2.76Å; L207-L216 HydrophobicContact CD1-CD2 4.21Å
217	K	98.3	Very high	98.3	Very high	23 Å²	23	53.2 Å²	53.2	10%	0.1	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-99.7	145.6	178	-56	-58.9	-175.3	-99.2	0	109.1	I158 Y189 A190 G215 L222	I158-K217 HydrophobicContact CG2-CB 3.91Å; I158-K217 HydrophobicContact CG2-CG 3.44Å; I158-K217 VanDerWaalsContact CG2-CG 3.44Å; Y189-K217 WeakPolarHBondContact CA-O 3.45Å; A190-K217 PolarHBondContact N-O 3.29Å; G215-K217 PolarHBondContact O-NZ 2.89Å; K217-L222 HydrophobicContact CB-CD1 4.4Å; K217-L222 HydrophobicContact CB-CD2 4.04Å; K217-L222 HydrophobicContact CB-CG 4.23Å
218	D	98.5	Very high	98.3	Very high	21 Å²	21	61 Å²	61	11%	0.112	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-78.9	138.8	178.5	-165.2	-88.8	0	0	0	111.3	A190 V191 N192 G193 S220 F221 L222	A190-D218 VanDerWaalsContact C-OD2 3.25Å; A190-D218 HydrophobicContact CB-CB 4.11Å; A190-D218 WeakPolarHBondContact CB-OD2 3.42Å; A190-D218 WeakPolarHBondContact O-CA 3.29Å; V191-D218 PolarHBondContact N-OD2 3.39Å; N192-D218 PolarHBondContact N-OD2 3.4Å; G193-D218 WeakPolarHBondContact CA-OD2 3.46Å; G193-D218 PolarHBondContact N-OD2 3.24Å; D218-S220 PolarHBondContact O-N 2.78Å; D218-S220 WeakPolarHBondContact OD1-CA 3.36Å; D218-S220 WeakPolarHBondContact OD1-CB 3.35Å; D218-S220 PolarHBondContact OD1-N 3.5Å; D218-S220 PolarHBondContact OD1-OG 2.89Å; D218-F221 HydrophobicContact CB-CB 4.26Å; D218-F221 WeakPolarHBondContact O-CB 3.43Å; D218-F221 PolarHBondContact O-N 3.1Å; D218-F221 VanDerWaalsContact O-N 3.14Å; D218-L222 WeakPolarHBondContact O-CG 3.25Å; D218-L222 PolarHBondContact O-N 3.43Å
219	I	98.7	Very high	98.3	Very high	13 Å²	13	58.2 Å²	58.2	7%	0.067	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-36.9	178.1	-63.1	177.2	0	0	0	111.3	Y189 A190 V191 F221 L222 N223 L233 I236 K244 L246	Y189-I219 HydrophobicContact CG-CG1 4.16Å; A190-I219 PolarHBondContact O-N 3.31Å; V191-I219 HydrophobicContact CG2-CD1 4.01Å; I219-F221 VanDerWaalsContact C-N 3.34Å; I219-F221 PolarHBondContact O-N 2.81Å; I219-L222 PolarHBondContact O-N 2.85Å; I219-N223 WeakPolarHBondContact O-CB 3.26Å; I219-N223 PolarHBondContact O-N 2.89Å; I219-L233 HydrophobicContact CG2-CD2 3.69Å; I219-I236 HydrophobicContact CD1-CD1 4.13Å; I219-I236 HydrophobicContact CG2-CD1 4.13Å; I219-K244 HydrophobicContact CD1-CD 3.75Å; I219-L246 HydrophobicContact CD1-CD2 3.89Å; I219-L246 HydrophobicContact CG1-CD1 4.13Å; I219-L246 HydrophobicContact CG1-CD2 4.25Å
220	S	98.2	Very high	98.3	Very high	65 Å²	65	53.3 Å²	53.3	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-38.5	177.2	68.8	0	0	0	0	112.1	D218 N223 S224	D218-S220 PolarHBondContact O-N 2.78Å; D218-S220 WeakPolarHBondContact OD1-CA 3.36Å; D218-S220 WeakPolarHBondContact OD1-CB 3.35Å; D218-S220 PolarHBondContact OD1-N 3.5Å; D218-S220 PolarHBondContact OD1-OG 2.89Å; S220-N223 PolarHBondContact O-N 3.03Å; S220-S224 PolarHBondContact O-N 3.47Å
221	F	98.4	Very high	98.3	Very high	70 Å²	70	46 Å²	46	31%	0.307	24%	0.242	S	C	.	.	H	α-helix	trans	-63.9	-49.3	172.8	169.1	-100.2	0	0	0	110.9	L163 T166 D218 I219 N223 S224 V225	L163-F221 HydrophobicContact CD1-CE1 3.55Å; L163-F221 HydrophobicContact CD1-CZ 3.44Å; L163-F221 VanDerWaalsContact CD1-CZ 3.44Å; L163-F221 HydrophobicContact CD2-CZ 4.43Å; L163-F221 HydrophobicContact CG-CZ 4.34Å; T166-F221 HydrophobicContact CG2-CE1 4.41Å; D218-F221 HydrophobicContact CB-CB 4.26Å; D218-F221 WeakPolarHBondContact O-CB 3.43Å; D218-F221 PolarHBondContact O-N 3.1Å; D218-F221 VanDerWaalsContact O-N 3.14Å; I219-F221 VanDerWaalsContact C-N 3.34Å; I219-F221 PolarHBondContact O-N 2.81Å; F221-N223 VanDerWaalsContact C-N 3.28Å; F221-N223 PolarHBondContact O-N 2.94Å; F221-S224 WeakPolarHBondContact O-CB 3.23Å; F221-S224 PolarHBondContact O-N 2.81Å; F221-S224 VanDerWaalsContact O-N 3.12Å; F221-V225 HydrophobicContact CD1-CG2 4.41Å; F221-V225 HydrophobicContact CD2-CG2 4.36Å; F221-V225 HydrophobicContact CE1-CG2 3.84Å; F221-V225 HydrophobicContact CE2-CG2 3.78Å; F221-V225 HydrophobicContact CZ-CG2 3.47Å; F221-V225 VanDerWaalsContact CZ-CG2 3.47Å; F221-V225 WeakPolarHBondContact O-CG2 3.32Å; F221-V225 PolarHBondContact O-N 3.48Å
222	L	98.8	Very high	98.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-39.1	178.1	-63	-178.5	0	0	0	111.8	I158 T166 F170 Y189 K217 D218 I219 V225 A226 L246 F248	I158-L222 HydrophobicContact CD1-CD1 4.45Å; I158-L222 HydrophobicContact CG2-CD2 4.44Å; T166-L222 HydrophobicContact CG2-CD2 3.47Å; T166-L222 VanDerWaalsContact CG2-CD2 3.47Å; F170-L222 HydrophobicContact CE2-CD2 3.99Å; F170-L222 HydrophobicContact CZ-CB 4.24Å; F170-L222 HydrophobicContact CZ-CD2 4.46Å; Y189-L222 HydrophobicContact CD1-CD1 3.61Å; Y189-L222 HydrophobicContact CE1-CD1 3.47Å; Y189-L222 VanDerWaalsContact CE1-CD1 3.47Å; K217-L222 HydrophobicContact CB-CD1 4.4Å; K217-L222 HydrophobicContact CB-CD2 4.04Å; K217-L222 HydrophobicContact CB-CG 4.23Å; D218-L222 WeakPolarHBondContact O-CG 3.25Å; D218-L222 PolarHBondContact O-N 3.43Å; I219-L222 PolarHBondContact O-N 2.85Å; L222-V225 PolarHBondContact O-N 3.35Å; L222-A226 WeakPolarHBondContact O-CB 3.32Å; L222-A226 PolarHBondContact O-N 2.98Å; L222-L246 HydrophobicContact CD1-CD1 3.85Å; L222-F248 HydrophobicContact CB-CZ 4.14Å
223	N	98.4	Very high	98.3	Very high	41 Å²	41	44.4 Å²	44.4	22%	0.219	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-40.8	175.2	-172.6	55.9	0	0	0	112.1	I219 S220 F221 A226 Q227 L233	I219-N223 WeakPolarHBondContact O-CB 3.26Å; I219-N223 PolarHBondContact O-N 2.89Å; S220-N223 PolarHBondContact O-N 3.03Å; F221-N223 VanDerWaalsContact C-N 3.28Å; F221-N223 PolarHBondContact O-N 2.94Å; N223-A226 WeakPolarHBondContact O-CB 3.42Å; N223-A226 PolarHBondContact O-N 3.26Å; N223-Q227 WeakPolarHBondContact O-CG 3.44Å; N223-Q227 PolarHBondContact O-N 3.35Å; N223-L233 VanDerWaalsContact OD1-CB 3.28Å; N223-L233 WeakPolarHBondContact OD1-CB 3.39Å
224	S	98.3	Very high	98.4	Very high	45 Å²	45	42.8 Å²	42.8	32%	0.315	22%	0.217	S	C	.	.	H	α-helix	trans	-63.5	-41	174.2	-176	0	0	0	0	112.2	S220 F221 K228	S220-S224 PolarHBondContact O-N 3.47Å; F221-S224 WeakPolarHBondContact O-CB 3.23Å; F221-S224 PolarHBondContact O-N 2.81Å; F221-S224 VanDerWaalsContact O-N 3.12Å; S224-K228 WeakPolarHBondContact O-CG 3.4Å; S224-K228 PolarHBondContact O-N 2.94Å
225	V	98.6	Very high	98.4	Very high	8 Å²	8	45.4 Å²	45.4	5%	0.048	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-40.6	175.3	179.7	0	0	0	0	110.7	F170 F221 L222 K228 N229	F170-V225 HydrophobicContact CB-CG1 3.65Å; F170-V225 HydrophobicContact CD2-CG1 3.92Å; F170-V225 HydrophobicContact CG-CG1 3.84Å; F221-V225 HydrophobicContact CD1-CG2 4.41Å; F221-V225 HydrophobicContact CD2-CG2 4.36Å; F221-V225 HydrophobicContact CE1-CG2 3.84Å; F221-V225 HydrophobicContact CE2-CG2 3.78Å; F221-V225 HydrophobicContact CZ-CG2 3.47Å; F221-V225 VanDerWaalsContact CZ-CG2 3.47Å; F221-V225 WeakPolarHBondContact O-CG2 3.32Å; F221-V225 PolarHBondContact O-N 3.48Å; L222-V225 PolarHBondContact O-N 3.35Å; V225-K228 PolarHBondContact O-N 2.94Å; V225-N229 PolarHBondContact O-N 2.96Å; V225-N229 PolarHBondContact O-ND2 3.01Å
226	A	98.7	Very high	98.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-50.8	176.1	0	0	0	0	0	111.7	F170 L222 N223 K228 N229 G230 L231 F248	F170-A226 HydrophobicContact CD1-CB 3.77Å; F170-A226 HydrophobicContact CE1-CB 3.68Å; L222-A226 WeakPolarHBondContact O-CB 3.32Å; L222-A226 PolarHBondContact O-N 2.98Å; N223-A226 WeakPolarHBondContact O-CB 3.42Å; N223-A226 PolarHBondContact O-N 3.26Å; A226-K228 VanDerWaalsContact C-N 3.32Å; A226-K228 PolarHBondContact O-N 3Å; A226-N229 CarbonylContact O-C 3.02Å; A226-N229 WeakPolarHBondContact O-CA 3.45Å; A226-N229 PolarHBondContact O-N 3.41Å; A226-G230 PolarHBondContact O-N 3.49Å; A226-L231 CarbonylContact C-O 3.51Å; A226-L231 HydrophobicContact CB-CB 4.12Å; A226-L231 PolarHBondContact O-N 3.49Å; A226-L231 VanDerWaalsContact O-O 3.12Å; A226-F248 HydrophobicContact CB-CD1 3.5Å; A226-F248 HydrophobicContact CB-CE1 3.74Å; A226-F248 HydrophobicContact CB-CG 4.37Å
227	Q	98.4	Very high	98.4	Very high	112 Å²	112	50 Å²	50	52%	0.523	26%	0.255	S	S	.	.	H	α-helix	trans	-58.9	-41.6	-179.1	-74	174.5	-18.1	0	0	112.3	N223 N229 G230 L231	N223-Q227 WeakPolarHBondContact O-CG 3.44Å; N223-Q227 PolarHBondContact O-N 3.35Å; Q227-N229 PolarHBondContact O-N 3.4Å; Q227-N229 VanDerWaalsContact O-N 3.09Å; Q227-G230 PolarHBondContact O-N 2.87Å; Q227-G230 VanDerWaalsContact O-N 3.15Å; Q227-L231 VanDerWaalsContact CA-O 3.24Å; Q227-L231 WeakPolarHBondContact CA-O 3.4Å; Q227-L231 PolarHBondContact N-O 2.91Å; Q227-L231 VanDerWaalsContact N-O 3.1Å
228	K	98.1	Very high	98.4	Very high	164 Å²	164	54.7 Å²	54.7	71%	0.713	28%	0.277	S	S	*	.	H	α-helix	trans	-60.9	-19	175.8	-71.5	171.7	-176	175.3	0	113.8	S224 V225 A226	S224-K228 WeakPolarHBondContact O-CG 3.4Å; S224-K228 PolarHBondContact O-N 2.94Å; V225-K228 PolarHBondContact O-N 2.94Å; A226-K228 VanDerWaalsContact C-N 3.32Å; A226-K228 PolarHBondContact O-N 3Å
229	N	98.3	Very high	98.4	Very high	44 Å²	44	54.6 Å²	54.6	24%	0.235	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	17.6	-178.4	-64.4	-75.9	0	0	0	112.6	R171 G174 V225 A226 Q227 L231	R171-N229 VanDerWaalsContact CA-OD1 3.25Å; R171-N229 WeakPolarHBondContact CA-OD1 3.44Å; G174-N229 WeakPolarHBondContact CA-O 3.49Å; V225-N229 PolarHBondContact O-N 2.96Å; V225-N229 PolarHBondContact O-ND2 3.01Å; A226-N229 CarbonylContact O-C 3.02Å; A226-N229 WeakPolarHBondContact O-CA 3.45Å; A226-N229 PolarHBondContact O-N 3.41Å; Q227-N229 PolarHBondContact O-N 3.4Å; Q227-N229 VanDerWaalsContact O-N 3.09Å; N229-L231 HydrophobicContact CB-CD1 3.76Å; N229-L231 VanDerWaalsContact O-CD1 3.32Å; N229-L231 WeakPolarHBondContact O-CD1 3.33Å
230	G	98	Very high	98.3	Very high	25 Å²	25	57.7 Å²	57.7	26%	0.258	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	27.4	176.7	0	0	0	0	0	114	A226 Q227 E251	A226-G230 PolarHBondContact O-N 3.49Å; Q227-G230 PolarHBondContact O-N 2.87Å; Q227-G230 VanDerWaalsContact O-N 3.15Å; G230-E251 PolarHBondContact O-N 3.43Å
231	L	98.6	Very high	98.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.8	171.5	-50.3	98.8	0	0	0	110.8	A173 L177 L183 A226 Q227 N229 F248 R249	A173-L231 HydrophobicContact CB-CD2 4.35Å; L177-L231 HydrophobicContact CD1-CD2 3.91Å; L183-L231 HydrophobicContact CB-CD2 4.01Å; L183-L231 HydrophobicContact CD2-CD2 4.43Å; A226-L231 CarbonylContact C-O 3.51Å; A226-L231 HydrophobicContact CB-CB 4.12Å; A226-L231 PolarHBondContact O-N 3.49Å; A226-L231 VanDerWaalsContact O-O 3.12Å; Q227-L231 VanDerWaalsContact CA-O 3.24Å; Q227-L231 WeakPolarHBondContact CA-O 3.4Å; Q227-L231 PolarHBondContact N-O 2.91Å; Q227-L231 VanDerWaalsContact N-O 3.1Å; N229-L231 HydrophobicContact CB-CD1 3.76Å; N229-L231 VanDerWaalsContact O-CD1 3.32Å; N229-L231 WeakPolarHBondContact O-CD1 3.33Å; L231-F248 HydrophobicContact CB-CB 4.25Å; L231-F248 HydrophobicContact CD2-CB 4.22Å; L231-R249 CarbonylContact C-O 3.57Å; L231-R249 VanDerWaalsContact CA-O 3.23Å; L231-R249 WeakPolarHBondContact CA-O 3.46Å
232	F	98.1	Very high	97.9	Very high	76 Å²	76	58.4 Å²	58.4	33%	0.333	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.8	171.7	64.6	-88.3	0	0	0	110.7	E234 F248 R249 E251	F232-E234 HydrophobicContact CD2-CB 4.3Å; F232-E234 HydrophobicContact CE2-CB 3.91Å; F232-E234 HydrophobicContact CE2-CG 4.29Å; F232-E234 PolarHBondContact O-N 2.96Å; F232-E234 VanDerWaalsContact O-N 3.14Å; F232-F248 CarbonylContact O-C 3.49Å; F232-F248 VanDerWaalsContact O-CA 3.24Å; F232-F248 WeakPolarHBondContact O-CA 3.38Å; F232-R249 HydrophobicContact CD1-CB 4.32Å; F232-R249 WeakPolarHBondContact CD1-O 3.25Å; F232-R249 HydrophobicContact CD2-CB 4.49Å; F232-R249 HydrophobicContact CE1-CB 3.73Å; F232-R249 HydrophobicContact CE1-CG 3.96Å; F232-R249 HydrophobicContact CE2-CB 3.92Å; F232-R249 HydrophobicContact CZ-CB 3.51Å; F232-R249 HydrophobicContact CZ-CG 3.75Å; F232-R249 PolarHBondContact N-O 3.49Å; F232-R249 PolarHBondContact O-N 3.27Å; F232-E251 HydrophobicContact CD1-CG 3.85Å; F232-E251 HydrophobicContact CE1-CG 4.32Å
233	L	98.6	Very high	97.8	Very high	41 Å²	41	59.4 Å²	59.4	22%	0.215	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	106.2	173	-178.7	59.9	0	0	0	109.5	I219 N223 I236 L246 F248	I219-L233 HydrophobicContact CG2-CD2 3.69Å; N223-L233 VanDerWaalsContact OD1-CB 3.28Å; N223-L233 WeakPolarHBondContact OD1-CB 3.39Å; L233-I236 HydrophobicContact CD1-CG1 4.28Å; L233-I236 HydrophobicContact CD2-CD1 4.02Å; L233-I236 HydrophobicContact CD2-CG1 4Å; L233-I236 HydrophobicContact CG-CG1 4.39Å; L233-L246 HydrophobicContact CD1-CB 3.99Å; L233-F248 HydrophobicContact CB-CD1 3.86Å; L233-F248 HydrophobicContact CB-CE1 3.72Å; L233-F248 HydrophobicContact CD1-CD1 3.99Å; L233-F248 HydrophobicContact CD1-CE1 3.69Å; L233-F248 HydrophobicContact CD1-CE2 4.27Å; L233-F248 HydrophobicContact CD1-CG 4.41Å; L233-F248 HydrophobicContact CD1-CZ 3.84Å; L233-F248 HydrophobicContact CG-CE1 4.18Å
234	E	98.3	Very high	97.8	Very high	84 Å²	84	58.8 Å²	58.8	39%	0.393	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-42.8	-178.5	-179.2	-174.4	-103.9	0	0	111.4	F232 L247 R249	F232-E234 HydrophobicContact CD2-CB 4.3Å; F232-E234 HydrophobicContact CE2-CB 3.91Å; F232-E234 HydrophobicContact CE2-CG 4.29Å; F232-E234 PolarHBondContact O-N 2.96Å; F232-E234 VanDerWaalsContact O-N 3.14Å; E234-L247 WeakPolarHBondContact CB-O 3.47Å; E234-L247 PolarHBondContact N-O 3.08Å; E234-R249 HydrophobicContact CB-CB 4.22Å; E234-R249 IonicContact OE1-CZ 2.99Å; E234-R249 IonicContact OE1-NE 3.47Å; E234-R249 PolarHBondContact OE1-NE 3.45Å; E234-R249 IonicContact OE1-NH2 2.69Å; E234-R249 PolarHBondContact OE1-NH2 3.47Å; E234-R249 IonicContact OE2-CZ 3.44Å; E234-R249 IonicContact OE2-NE 2.82Å; E234-R249 PolarHBondContact OE2-NE 3.22Å; E234-R249 IonicContact OE2-NH2 3.47Å; E234-R249 PolarHBondContact OE2-NH2 3.4Å
235	K	98.3	Very high	97.9	Very high	113 Å²	113	56.7 Å²	56.7	49%	0.491	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	144.9	-173.4	-167.8	178.3	-175.7	-177.3	0	112	V237 L247	K235-V237 HydrophobicContact CD-CG2 4.01Å; K235-V237 HydrophobicContact CG-CG2 4.12Å; K235-L247 HydrophobicContact CB-CB 4.18Å; K235-L247 HydrophobicContact CB-CD2 4.24Å; K235-L247 HydrophobicContact CD-CD2 4.42Å; K235-L247 PolarHBondContact N-O 3.14Å; K235-L247 PolarHBondContact O-N 3.28Å
236	I	98.6	Very high	97.9	Very high	73 Å²	73	56.3 Å²	56.3	37%	0.374	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.8	166	-56.9	175.6	0	0	0	107.1	I219 L233 K244 L246	I219-I236 HydrophobicContact CD1-CD1 4.13Å; I219-I236 HydrophobicContact CG2-CD1 4.13Å; L233-I236 HydrophobicContact CD1-CG1 4.28Å; L233-I236 HydrophobicContact CD2-CD1 4.02Å; L233-I236 HydrophobicContact CD2-CG1 4Å; L233-I236 HydrophobicContact CG-CG1 4.39Å; I236-K244 HydrophobicContact CG2-CB 4.25Å; I236-K244 HydrophobicContact CG2-CD 3.96Å; I236-K244 HydrophobicContact CG2-CG 4.15Å; I236-L246 HydrophobicContact CB-CD2 4.37Å; I236-L246 HydrophobicContact CG1-CD2 3.94Å; I236-L246 HydrophobicContact CG2-CD2 3.93Å
237	V	98.7	Very high	97.9	Very high	33 Å²	33	56.4 Å²	56.4	20%	0.2	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.9	174	-173.5	0	0	0	0	108.3	V65 K235 M239 K244 C245 L247	V65-V237 HydrophobicContact CG1-CG2 4.28Å; V65-V237 HydrophobicContact CG2-CB 4.46Å; V65-V237 HydrophobicContact CG2-CG1 4.02Å; K235-V237 HydrophobicContact CD-CG2 4.01Å; K235-V237 HydrophobicContact CG-CG2 4.12Å; V237-M239 HydrophobicContact CB-SD 4.36Å; V237-M239 HydrophobicContact CG1-SD 3.91Å; V237-K244 CarbonylContact O-C 3.57Å; V237-K244 VanDerWaalsContact O-CA 3.25Å; V237-K244 WeakPolarHBondContact O-CA 3.25Å; V237-C245 HydrophobicContact CB-CB 4.19Å; V237-C245 PolarHBondContact N-O 2.98Å; V237-C245 PolarHBondContact O-N 3.03Å; V237-L247 HydrophobicContact CG2-CD1 4.32Å
238	E	98.3	Very high	97.9	Very high	121 Å²	121	51 Å²	51	57%	0.565	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	134.7	174	-65.7	-58.5	138.2	0	0	110.3	K244	E238-K244 VanDerWaalsContact CD-NZ 3.35Å; E238-K244 WeakPolarHBondContact OE1-CE 3.4Å; E238-K244 IonicContact OE1-NZ 2.75Å; E238-K244 PolarHBondContact OE1-NZ 3.4Å; E238-K244 VanDerWaalsContact OE1-NZ 3.11Å; E238-K244 IonicContact OE2-NZ 2.83Å; E238-K244 PolarHBondContact OE2-NZ 2.92Å
239	M	98.3	Very high	97.9	Very high	18 Å²	18	45 Å²	45	9%	0.089	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	160	-174.3	-55.5	-59.4	-66.5	0	0	111.1	P61 V65 Y186 V237 N243 C245	P61-M239 VanDerWaalsContact C-CE 3.47Å; P61-M239 HydrophobicContact CB-CE 3.44Å; P61-M239 VanDerWaalsContact CB-CE 3.44Å; P61-M239 WeakPolarHBondContact O-CE 3.49Å; V65-M239 HydrophobicContact CG2-CE 3.91Å; V65-M239 HydrophobicContact CG2-SD 3.74Å; Y186-M239 HydrophobicContact CD2-CG 4.16Å; Y186-M239 HydrophobicContact CE2-CB 3.85Å; Y186-M239 HydrophobicContact CE2-CE 4.18Å; Y186-M239 HydrophobicContact CE2-CG 3.89Å; V237-M239 HydrophobicContact CB-SD 4.36Å; V237-M239 HydrophobicContact CG1-SD 3.91Å; M239-N243 WeakPolarHBondContact CA-O 3.35Å; M239-N243 HydrophobicContact CB-CB 4Å; M239-N243 WeakPolarHBondContact CB-O 3.47Å; M239-N243 PolarHBondContact N-O 2.81Å; M239-C245 HydrophobicContact CG-CB 4.37Å; M239-C245 HydrophobicContact SD-CB 4.32Å
240	P	96.9	Very high	97.9	Very high	78 Å²	78	43.7 Å²	43.7	51%	0.506	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-53.2	152.2	174.3	-27.4	36.2	0	0	0	113.5	P61 N242 N243	P61-P240 HydrophobicContact CB-CG 4.27Å; P61-P240 HydrophobicContact CG-CG 4.06Å; P240-N242 VanDerWaalsContact C-N 3.31Å; P240-N242 PolarHBondContact O-N 2.94Å; P240-N243 PolarHBondContact O-ND2 2.9Å
241	A	93.1	Very high	97.7	Very high	76 Å²	76	47 Å²	47	63%	0.628	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	57.9	37.7	-178.8	0	0	0	0	0	114.1	N243	A241-N243 PolarHBondContact O-N 3.02Å
242	N	94.4	Very high	97.1	Very high	75 Å²	75	49.6 Å²	49.6	40%	0.401	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	59.4	28.3	176	-47.3	-63.7	0	0	0	114	P197 N200 P240	P197-N242 VanDerWaalsContact CD-CG 3.45Å; P197-N242 HydrophobicContact CG-CB 4.21Å; P197-N242 VanDerWaalsContact CG-ND2 3.27Å; P197-N242 WeakPolarHBondContact CG-ND2 3.42Å; N200-N242 PolarHBondContact ND2-O 2.99Å; P240-N242 VanDerWaalsContact C-N 3.31Å; P240-N242 PolarHBondContact O-N 2.94Å
243	N	97.3	Very high	95.7	Very high	20 Å²	20	52.6 Å²	52.6	11%	0.107	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	168.9	170.5	-65	-54.2	0	0	0	110	Y186 G187 P188 M239 P240 A241	Y186-N243 HydrophobicContact CE1-CB 4.08Å; Y186-N243 HydrophobicContact CE2-CB 3.91Å; Y186-N243 WeakPolarHBondContact OH-CB 3.17Å; Y186-N243 PolarHBondContact OH-ND2 2.68Å; G187-N243 VanDerWaalsContact C-OD1 3.3Å; G187-N243 CarbonylContact O-C 3.42Å; G187-N243 WeakPolarHBondContact O-CA 3.47Å; P188-N243 WeakPolarHBondContact CD-OD1 3.27Å; M239-N243 WeakPolarHBondContact CA-O 3.35Å; M239-N243 HydrophobicContact CB-CB 4Å; M239-N243 WeakPolarHBondContact CB-O 3.47Å; M239-N243 PolarHBondContact N-O 2.81Å; P240-N243 PolarHBondContact O-ND2 2.9Å; A241-N243 PolarHBondContact O-N 3.02Å
244	K	98.7	Very high	93.1	Very high	29 Å²	29	60.5 Å²	60.5	13%	0.126	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	150.8	171.7	-65.3	161.5	174.7	36.6	0	110	Y186 G187 Y189 I219 I236 V237 E238 L246	Y186-K244 WeakPolarHBondContact CA-O 3.44Å; G187-K244 PolarHBondContact N-O 3.33Å; G187-K244 VanDerWaalsContact N-O 3.16Å; G187-K244 PolarHBondContact O-N 3Å; Y189-K244 HydrophobicContact CD2-CB 3.91Å; Y189-K244 HydrophobicContact CD2-CD 4.34Å; Y189-K244 HydrophobicContact CE2-CB 4.09Å; I219-K244 HydrophobicContact CD1-CD 3.75Å; I236-K244 HydrophobicContact CG2-CB 4.25Å; I236-K244 HydrophobicContact CG2-CD 3.96Å; I236-K244 HydrophobicContact CG2-CG 4.15Å; V237-K244 CarbonylContact O-C 3.57Å; V237-K244 VanDerWaalsContact O-CA 3.25Å; V237-K244 WeakPolarHBondContact O-CA 3.25Å; E238-K244 VanDerWaalsContact CD-NZ 3.35Å; E238-K244 WeakPolarHBondContact OE1-CE 3.4Å; E238-K244 IonicContact OE1-NZ 2.75Å; E238-K244 PolarHBondContact OE1-NZ 3.4Å; E238-K244 VanDerWaalsContact OE1-NZ 3.11Å; E238-K244 IonicContact OE2-NZ 2.83Å; E238-K244 PolarHBondContact OE2-NZ 2.92Å; K244-L246 HydrophobicContact CB-CD2 4.05Å
245	C	98.9	Very high	92.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.1	153.8	-71.3	0	0	0	0	107.8	V65 L184 T185 V237 M239 L247	V65-C245 HydrophobicContact CG1-CB 4.09Å; L184-C245 HydrophobicContact CD2-CB 4.4Å; T185-C245 CarbonylContact O-C 3.52Å; T185-C245 VanDerWaalsContact O-CA 3.3Å; T185-C245 WeakPolarHBondContact O-CA 3.41Å; V237-C245 HydrophobicContact CB-CB 4.19Å; V237-C245 PolarHBondContact N-O 2.98Å; V237-C245 PolarHBondContact O-N 3.03Å; M239-C245 HydrophobicContact CG-CB 4.37Å; M239-C245 HydrophobicContact SD-CB 4.32Å; C245-L247 HydrophobicContact CB-CD1 3.93Å
246	L	98.9	Very high	92.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.9	169.8	-45.9	179.5	0	0	0	107.9	L184 T185 Y189 I219 L222 L233 I236 K244 F248	L184-L246 WeakPolarHBondContact CA-O 3.27Å; T185-L246 PolarHBondContact N-O 3.27Å; T185-L246 PolarHBondContact O-N 3.4Å; T185-L246 WeakPolarHBondContact OG1-CB 3.27Å; Y189-L246 HydrophobicContact CD1-CD1 4.02Å; Y189-L246 HydrophobicContact CD2-CD1 4.14Å; Y189-L246 HydrophobicContact CD2-CD2 4.39Å; Y189-L246 HydrophobicContact CD2-CG 4.26Å; Y189-L246 HydrophobicContact CE1-CD1 3.72Å; Y189-L246 HydrophobicContact CE1-CG 4.49Å; Y189-L246 HydrophobicContact CE2-CD1 3.84Å; Y189-L246 HydrophobicContact CE2-CD2 4.3Å; Y189-L246 HydrophobicContact CE2-CG 3.76Å; Y189-L246 HydrophobicContact CG-CD1 4.22Å; I219-L246 HydrophobicContact CD1-CD2 3.89Å; I219-L246 HydrophobicContact CG1-CD1 4.13Å; I219-L246 HydrophobicContact CG1-CD2 4.25Å; L222-L246 HydrophobicContact CD1-CD1 3.85Å; L233-L246 HydrophobicContact CD1-CB 3.99Å; I236-L246 HydrophobicContact CB-CD2 4.37Å; I236-L246 HydrophobicContact CG1-CD2 3.94Å; I236-L246 HydrophobicContact CG2-CD2 3.93Å; K244-L246 HydrophobicContact CB-CD2 4.05Å; L246-F248 HydrophobicContact CB-CD2 4.19Å; L246-F248 HydrophobicContact CB-CE2 3.47Å; L246-F248 VanDerWaalsContact CB-CE2 3.47Å; L246-F248 HydrophobicContact CB-CZ 4.01Å; L246-F248 HydrophobicContact CD1-CE2 4.05Å; L246-F248 HydrophobicContact CD1-CZ 4.04Å; L246-F248 HydrophobicContact CG-CE2 4.42Å
247	L	98.8	Very high	92.3	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.6	-178.6	-78.3	64.3	0	0	0	108	V65 S69 L182 L184 E234 K235 V237 C245	V65-L247 HydrophobicContact CG1-CD1 4.03Å; S69-L247 VanDerWaalsContact OG-CD2 3.26Å; S69-L247 WeakPolarHBondContact OG-CD2 3.39Å; L182-L247 HydrophobicContact CD1-CB 3.82Å; L182-L247 HydrophobicContact CD1-CG 4.08Å; L184-L247 HydrophobicContact CD1-CD1 4.08Å; L184-L247 HydrophobicContact CD1-CG 4.3Å; L184-L247 HydrophobicContact CG-CD1 4.2Å; L184-L247 HydrophobicContact CG-CG 4.5Å; E234-L247 WeakPolarHBondContact CB-O 3.47Å; E234-L247 PolarHBondContact N-O 3.08Å; K235-L247 HydrophobicContact CB-CB 4.18Å; K235-L247 HydrophobicContact CB-CD2 4.24Å; K235-L247 HydrophobicContact CD-CD2 4.42Å; K235-L247 PolarHBondContact N-O 3.14Å; K235-L247 PolarHBondContact O-N 3.28Å; V237-L247 HydrophobicContact CG2-CD1 4.32Å; C245-L247 HydrophobicContact CB-CD1 3.93Å
248	F	98.8	Very high	91.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.7	176.4	-60.3	-89.5	0	0	0	109.7	F170 L183 T185 L222 A226 L231 F232 L233 L246	F170-F248 HydrophobicContact CE1-CD1 4.04Å; F170-F248 AromaticContact CE1-CD2 3.82Å; F170-F248 HydrophobicContact CE1-CD2 3.82Å; F170-F248 HydrophobicContact CE1-CE1 4.06Å; F170-F248 AromaticContact CE1-CE2 3.83Å; F170-F248 HydrophobicContact CE1-CE2 3.83Å; F170-F248 AromaticContact CE1-CG 3.92Å; F170-F248 HydrophobicContact CE1-CG 3.92Å; F170-F248 AromaticContact CE1-CZ 3.96Å; F170-F248 HydrophobicContact CE1-CZ 3.96Å; F170-F248 HydrophobicContact CZ-CD2 4.1Å; F170-F248 HydrophobicContact CZ-CE1 4.4Å; F170-F248 AromaticContact CZ-CE2 3.7Å; F170-F248 HydrophobicContact CZ-CE2 3.7Å; F170-F248 AromaticContact CZ-CZ 3.87Å; F170-F248 HydrophobicContact CZ-CZ 3.87Å; L183-F248 HydrophobicContact CB-CB 4.19Å; L183-F248 HydrophobicContact CD2-CD2 4.39Å; L183-F248 HydrophobicContact CG-CD2 4.42Å; L183-F248 PolarHBondContact N-O 3.11Å; L183-F248 PolarHBondContact O-N 3.06Å; T185-F248 HydrophobicContact CG2-CE2 4.4Å; L222-F248 HydrophobicContact CB-CZ 4.14Å; A226-F248 HydrophobicContact CB-CD1 3.5Å; A226-F248 HydrophobicContact CB-CE1 3.74Å; A226-F248 HydrophobicContact CB-CG 4.37Å; L231-F248 HydrophobicContact CB-CB 4.25Å; L231-F248 HydrophobicContact CD2-CB 4.22Å; F232-F248 CarbonylContact O-C 3.49Å; F232-F248 VanDerWaalsContact O-CA 3.24Å; F232-F248 WeakPolarHBondContact O-CA 3.38Å; L233-F248 HydrophobicContact CB-CD1 3.86Å; L233-F248 HydrophobicContact CB-CE1 3.72Å; L233-F248 HydrophobicContact CD1-CD1 3.99Å; L233-F248 HydrophobicContact CD1-CE1 3.69Å; L233-F248 HydrophobicContact CD1-CE2 4.27Å; L233-F248 HydrophobicContact CD1-CG 4.41Å; L233-F248 HydrophobicContact CD1-CZ 3.84Å; L233-F248 HydrophobicContact CG-CE1 4.18Å; L246-F248 HydrophobicContact CB-CD2 4.19Å; L246-F248 HydrophobicContact CB-CE2 3.47Å; L246-F248 VanDerWaalsContact CB-CE2 3.47Å; L246-F248 HydrophobicContact CB-CZ 4.01Å; L246-F248 HydrophobicContact CD1-CE2 4.05Å; L246-F248 HydrophobicContact CD1-CZ 4.04Å; L246-F248 HydrophobicContact CG-CE2 4.42Å
249	R	98.3	Very high	91.5	Very high	36 Å²	36	52.9 Å²	52.9	14%	0.136	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.2	-179.3	-169.7	73.4	62.6	-171.7	-2.5	108.9	Q180 L231 F232 E234	Q180-R249 WeakPolarHBondContact O-CD 3.38Å; Q180-R249 PolarHBondContact O-NH1 3.25Å; L231-R249 CarbonylContact C-O 3.57Å; L231-R249 VanDerWaalsContact CA-O 3.23Å; L231-R249 WeakPolarHBondContact CA-O 3.46Å; F232-R249 HydrophobicContact CD1-CB 4.32Å; F232-R249 WeakPolarHBondContact CD1-O 3.25Å; F232-R249 HydrophobicContact CD2-CB 4.49Å; F232-R249 HydrophobicContact CE1-CB 3.73Å; F232-R249 HydrophobicContact CE1-CG 3.96Å; F232-R249 HydrophobicContact CE2-CB 3.92Å; F232-R249 HydrophobicContact CZ-CB 3.51Å; F232-R249 HydrophobicContact CZ-CG 3.75Å; F232-R249 PolarHBondContact N-O 3.49Å; F232-R249 PolarHBondContact O-N 3.27Å; E234-R249 HydrophobicContact CB-CB 4.22Å; E234-R249 IonicContact OE1-CZ 2.99Å; E234-R249 IonicContact OE1-NE 3.47Å; E234-R249 PolarHBondContact OE1-NE 3.45Å; E234-R249 IonicContact OE1-NH2 2.69Å; E234-R249 PolarHBondContact OE1-NH2 3.47Å; E234-R249 IonicContact OE2-CZ 3.44Å; E234-R249 IonicContact OE2-NE 2.82Å; E234-R249 PolarHBondContact OE2-NE 3.22Å; E234-R249 IonicContact OE2-NH2 3.47Å; E234-R249 PolarHBondContact OE2-NH2 3.4Å
250	K	98.2	Very high	91	Very high	17 Å²	17	55.3 Å²	55.3	7%	0.074	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131.2	169.8	-179.8	170.9	168.6	178	0	109	E147 G174 L177 Q180 G181	E147-K250 IonicContact OE1-NZ 3.7Å; E147-K250 PolarHBondContact OE1-NZ 3.11Å; G174-K250 WeakPolarHBondContact O-CD 3.35Å; G174-K250 VanDerWaalsContact O-CE 3.25Å; G174-K250 WeakPolarHBondContact O-CE 3.31Å; G174-K250 PolarHBondContact O-NZ 3.38Å; L177-K250 HydrophobicContact CB-CB 4.18Å; L177-K250 HydrophobicContact CB-CD 3.84Å; L177-K250 HydrophobicContact CD1-CB 4.44Å; L177-K250 WeakPolarHBondContact O-CD 3.29Å; L177-K250 WeakPolarHBondContact O-CE 3.35Å; L177-K250 PolarHBondContact O-NZ 2.66Å; Q180-K250 WeakPolarHBondContact CA-O 3.06Å; Q180-K250 PolarHBondContact N-O 3.46Å; Q180-K250 VanDerWaalsContact N-O 3.07Å; Q180-K250 PolarHBondContact OE1-O 3.42Å; G181-K250 PolarHBondContact O-N 3.14Å
251	E	94.3	Very high	90.6	Very high	94 Å²	94	53.6 Å²	53.6	44%	0.439	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-56.9	143.8	177.7	-68.6	177.1	-179.7	0	0	111.2	G230 F232 L253	G230-E251 PolarHBondContact O-N 3.43Å; F232-E251 HydrophobicContact CD1-CG 3.85Å; F232-E251 HydrophobicContact CE1-CG 4.32Å; E251-L253 PolarHBondContact O-N 3.45Å
252	S	85.1	Confident	90.4	Very high	56 Å²	56	51.9 Å²	51.9	39%	0.392	28%	0.282	S	S	.	.			trans	-75.9	115.3	162.3	-64.7	0	0	0	0	107.6	Q180 V254	Q180-S252 WeakPolarHBondContact CG-OG 3.33Å; Q180-S252 PolarHBondContact OE1-OG 3Å; S252-V254 PolarHBondContact O-N 3.47Å; S252-V254 VanDerWaalsContact O-N 3.12Å
253	L	68.9	Low	90.1	Very high	138 Å²	138	50 Å²	50	72%	0.723	27%	0.272	S	S	*	.			trans	-64.1	113.7	161.4	-66.1	171.8	0	0	0	106.3	E251	E251-L253 PolarHBondContact O-N 3.45Å
254	V	44.8	Very low	89.4	Confident	208 Å²	208	52.7 Å²	52.7	100%	1.261	29%	0.287	S	S	*	.			trans	-72.8	0	169.5	-178.8	0	0	0	0	108.9	S252	S252-V254 PolarHBondContact O-N 3.47Å; S252-V254 VanDerWaalsContact O-N 3.12Å

Retrieved 254 of 254 residues in 148.3 ms (Link to these results)

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