A0A096MWZ6_PAPAN Loading...

ubiquitinyl hydrolase 1

AlphaFold DB (O75317), UniProt , Accession A0A096MWZ6, Species PAPAN (Papio anubis, Olive baboon), Gene USP12, Length 370 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	46	Very low	34.9	Very low	249 Å²	249	155.9 Å²	155.9	100%	1.227	82%	0.816	S	S	*	*				0	93.9	0	-88.8	-179.3	-177.6	0	0	107.2
2	E	29.6	Very low	35.1	Very low	176 Å²	176	151.6 Å²	151.6	82%	0.822	81%	0.808	S	S	*	*			trans	-62.8	137.2	171.7	-65	160	129.5	0	0	109.7
3	I	39.7	Very low	35.2	Very low	162 Å²	162	150.7 Å²	150.7	83%	0.831	80%	0.801	S	S	*	*			trans	-135.7	99.8	149.1	-60.6	-176	0	0	0	106.7
4	L	32.2	Very low	35.8	Very low	128 Å²	128	145.9 Å²	145.9	67%	0.67	78%	0.784	S	S	*	*			trans	-55	135.8	156.8	-95.8	82.1	0	0	0	109.5
5	M	39.2	Very low	36.3	Very low	192 Å²	192	144.3 Å²	144.3	95%	0.946	78%	0.782	S	S	*	*			trans	-130.1	110.4	141.8	-84.1	-156.3	165.6	0	0	110.2
6	T	33.6	Very low	37.4	Very low	104 Å²	104	139.6 Å²	139.6	64%	0.638	75%	0.754	S	S	*	*			trans	-78.7	171.1	175.8	-38.5	0	0	0	0	110.6
7	V	34.5	Very low	38.1	Very low	136 Å²	136	134.4 Å²	134.4	82%	0.824	74%	0.741	S	S	*	*			trans	93.4	122.4	157.1	-162.4	0	0	0	0	113.6
8	S	31.4	Very low	39.1	Very low	80 Å²	80	132.2 Å²	132.2	56%	0.559	74%	0.743	S	S	*	*			cis	-155.4	130.5	19.8	101.5	0	0	0	0	110.6	F10	S8-F10 WeakPolarHBondContact OG-CD2 3.22Å
9	K	31.3	Very low	40.3	Very low	214 Å²	214	133.7 Å²	133.7	93%	0.93	75%	0.749	S	S	*	*			trans	-88.1	100.7	157.4	-87.6	178.6	171.6	180	0	107.1	A11	K9-A11 PolarHBondContact O-N 2.87Å
10	F	34.3	Very low	41.8	Very low	191 Å²	191	127.8 Å²	127.8	84%	0.838	72%	0.718	S	S	*	*			trans	-92.2	83.4	158.9	-92	-80.4	0	0	0	108.1	S8 S12	S8-F10 WeakPolarHBondContact OG-CD2 3.22Å; F10-S12 PolarHBondContact O-N 3.16Å
11	A	32.1	Very low	43.8	Very low	83 Å²	83	123.3 Å²	123.3	69%	0.686	70%	0.695	S	S	*	*			trans	-75.7	98.5	157.5	0	0	0	0	0	106.5	K9 I13	K9-A11 PolarHBondContact O-N 2.87Å; A11-I13 PolarHBondContact O-N 3.41Å; A11-I13 VanDerWaalsContact O-N 3.08Å
12	S	37	Very low	45.7	Very low	104 Å²	104	115.3 Å²	115.3	73%	0.727	67%	0.669	S	S	*	*			trans	-71.5	98.6	167.4	-165.1	0	0	0	0	107.1	F10 C14	F10-S12 PolarHBondContact O-N 3.16Å; S12-C14 PolarHBondContact O-N 3.46Å
13	I	37.2	Very low	48.6	Very low	140 Å²	140	107.3 Å²	107.3	72%	0.718	63%	0.632	S	S	*	*			trans	-68.5	90.9	167.4	-65.6	167.3	0	0	0	106	A11 T15	A11-I13 PolarHBondContact O-N 3.41Å; A11-I13 VanDerWaalsContact O-N 3.08Å; I13-T15 VanDerWaalsContact C-N 3.29Å; I13-T15 HydrophobicContact CG2-CG2 4.27Å; I13-T15 PolarHBondContact O-N 3.44Å
14	C	42.4	Very low	50.9	Low	83 Å²	83	101.5 Å²	101.5	56%	0.561	60%	0.601	S	S	*	*			trans	-70.9	91	164.7	-90.9	0	0	0	0	107.8	S12 M16 P29	S12-C14 PolarHBondContact O-N 3.46Å; C14-M16 PolarHBondContact O-N 3.2Å; C14-M16 VanDerWaalsContact O-N 3.09Å; C14-P29 WeakPolarHBondContact O-CB 3.37Å
15	T	44.1	Very low	53.5	Low	122 Å²	122	101.3 Å²	101.3	75%	0.748	59%	0.594	S	S	*	*			trans	-56.5	113.6	162.1	41.7	0	0	0	0	108.2	I13 G17	I13-T15 VanDerWaalsContact C-N 3.29Å; I13-T15 HydrophobicContact CG2-CG2 4.27Å; I13-T15 PolarHBondContact O-N 3.44Å; T15-G17 PolarHBondContact O-N 3.46Å; T15-G17 VanDerWaalsContact O-N 3.14Å
16	M	53.5	Low	55.9	Low	70 Å²	70	97 Å²	97	35%	0.345	57%	0.572	S	S	.	*			trans	-60.1	119.7	174.3	-70.9	-157.5	-65.8	0	0	109.2	C14 A20 E24 K25 P29	C14-M16 PolarHBondContact O-N 3.2Å; C14-M16 VanDerWaalsContact O-N 3.09Å; M16-A20 HydrophobicContact CB-CB 4.04Å; M16-A20 HydrophobicContact SD-CB 4.07Å; M16-E24 WeakPolarHBondContact CE-O 3.37Å; M16-E24 HydrophobicContact SD-CB 4Å; M16-K25 VanDerWaalsContact CE-CA 3.47Å; M16-K25 HydrophobicContact CE-CB 4.32Å; M16-K25 HydrophobicContact CE-CG 4.09Å; M16-P29 HydrophobicContact CG-CB 3.89Å; M16-P29 HydrophobicContact CG-CG 4.18Å
17	G	49.4	Very low	58.5	Low	51 Å²	51	92.3 Å²	92.3	53%	0.526	54%	0.543	S	S	.	.			trans	-61.4	158.3	176	0	0	0	0	0	111.1	T15 N19 A20	T15-G17 PolarHBondContact O-N 3.46Å; T15-G17 VanDerWaalsContact O-N 3.14Å; G17-N19 PolarHBondContact O-N 3.27Å; G17-A20 PolarHBondContact O-N 3.03Å
18	A	57	Low	60.9	Low	94 Å²	94	86.5 Å²	86.5	78%	0.777	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-18.7	-179.6	0	0	0	0	0	114.6
19	N	62	Low	63	Low	162 Å²	162	85.8 Å²	85.8	87%	0.866	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	6.8	-179	-63.2	-19.9	0	0	0	115	G17	G17-N19 PolarHBondContact O-N 3.27Å
20	A	69.7	Low	65.2	Low	14 Å²	14	84.6 Å²	84.6	12%	0.116	50%	0.502	C	S	.	.			trans	-61.3	136.4	175.2	0	0	0	0	0	111	M16 G17 E24 K25	M16-A20 HydrophobicContact CB-CB 4.04Å; M16-A20 HydrophobicContact SD-CB 4.07Å; G17-A20 PolarHBondContact O-N 3.03Å; A20-E24 HydrophobicContact CB-CB 4.07Å; A20-K25 HydrophobicContact CB-CG 4.17Å; A20-K25 WeakPolarHBondContact O-CE 3.12Å; A20-K25 PolarHBondContact O-NZ 3.03Å
21	S	83.1	Confident	67.5	Low	35 Å²	35	80.9 Å²	80.9	25%	0.245	49%	0.487	C	S	.	.			trans	-60.9	161.8	175.4	62.8	0	0	0	0	111.7	L23 E24 K25 V98	S21-L23 VanDerWaalsContact C-N 3.26Å; S21-L23 PolarHBondContact O-N 2.87Å; S21-E24 WeakPolarHBondContact CB-OE2 3.36Å; S21-E24 PolarHBondContact N-OE2 3.42Å; S21-E24 PolarHBondContact O-N 3.4Å; S21-E24 WeakPolarHBondContact OG-CB 3.48Å; S21-E24 VanDerWaalsContact OG-CG 3.27Å; S21-E24 WeakPolarHBondContact OG-CG 3.19Å; S21-E24 PolarHBondContact OG-N 2.94Å; S21-E24 PolarHBondContact OG-OE2 3.06Å; S21-K25 WeakPolarHBondContact O-CG 3.37Å; S21-K25 PolarHBondContact O-N 3.46Å; S21-V98 WeakPolarHBondContact OG-CB 3.44Å
22	A	86.7	Confident	70.1	Confident	81 Å²	81	77.6 Å²	77.6	67%	0.669	46%	0.458	S	S	*	.	H	α-helix	trans	-56.5	-43.2	176.3	0	0	0	0	0	111.5	K25 E26	A22-K25 WeakPolarHBondContact O-CB 3.39Å; A22-K25 PolarHBondContact O-N 2.84Å; A22-E26 WeakPolarHBondContact O-CB 3.4Å; A22-E26 PolarHBondContact O-N 2.86Å
23	L	89.8	Confident	72.5	Confident	8 Å²	8	73.3 Å²	73.3	4%	0.042	43%	0.427	C	S	.	.	H	α-helix	trans	-63.8	-42.8	177	-175.9	64.2	0	0	0	112.8	S21 K25 E26 I27 Y38 V98 L329 V336 K338	S21-L23 VanDerWaalsContact C-N 3.26Å; S21-L23 PolarHBondContact O-N 2.87Å; L23-K25 VanDerWaalsContact C-N 3.26Å; L23-K25 PolarHBondContact O-N 3.46Å; L23-E26 PolarHBondContact O-N 3.29Å; L23-I27 HydrophobicContact CD1-CD1 3.95Å; L23-I27 HydrophobicContact CD1-CG1 4.23Å; L23-I27 HydrophobicContact CD2-CD1 4.44Å; L23-I27 HydrophobicContact CG-CD1 3.79Å; L23-I27 HydrophobicContact CG-CG1 4.45Å; L23-I27 VanDerWaalsContact O-CG1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.36Å; L23-I27 PolarHBondContact O-N 3.48Å; L23-Y38 HydrophobicContact CD2-CD2 4.29Å; L23-V98 HydrophobicContact CB-CG1 4.29Å; L23-V98 HydrophobicContact CB-CG2 4.42Å; L23-V98 HydrophobicContact CD2-CG1 4.05Å; L23-V98 HydrophobicContact CD2-CG2 4.05Å; L23-V98 HydrophobicContact CG-CG2 4.47Å; L23-L329 HydrophobicContact CD1-CD2 3.93Å; L23-V336 HydrophobicContact CD2-CB 3.9Å; L23-V336 HydrophobicContact CD2-CG1 3.62Å; L23-K338 HydrophobicContact CD1-CB 3.95Å
24	E	87.7	Confident	74.7	Confident	40 Å²	40	72.2 Å²	72.2	19%	0.187	43%	0.427	C	S	.	.	H	α-helix	trans	-59.9	-40.2	174.1	-77.2	167.7	115.8	0	0	111.4	M16 A20 S21 G28 F32 V98	M16-E24 WeakPolarHBondContact CE-O 3.37Å; M16-E24 HydrophobicContact SD-CB 4Å; A20-E24 HydrophobicContact CB-CB 4.07Å; S21-E24 WeakPolarHBondContact CB-OE2 3.36Å; S21-E24 PolarHBondContact N-OE2 3.42Å; S21-E24 PolarHBondContact O-N 3.4Å; S21-E24 WeakPolarHBondContact OG-CB 3.48Å; S21-E24 VanDerWaalsContact OG-CG 3.27Å; S21-E24 WeakPolarHBondContact OG-CG 3.19Å; S21-E24 PolarHBondContact OG-N 2.94Å; S21-E24 PolarHBondContact OG-OE2 3.06Å; E24-G28 PolarHBondContact O-N 2.85Å; E24-F32 HydrophobicContact CG-CD2 4.18Å; E24-F32 HydrophobicContact CG-CE2 3.87Å; E24-V98 HydrophobicContact CG-CG2 3.72Å
25	K	87.5	Confident	76.8	Confident	123 Å²	123	74.8 Å²	74.8	54%	0.535	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-40.7	175.7	-71	173.3	-178.3	168.3	0	112.8	M16 A20 S21 A22 L23	M16-K25 VanDerWaalsContact CE-CA 3.47Å; M16-K25 HydrophobicContact CE-CB 4.32Å; M16-K25 HydrophobicContact CE-CG 4.09Å; A20-K25 HydrophobicContact CB-CG 4.17Å; A20-K25 WeakPolarHBondContact O-CE 3.12Å; A20-K25 PolarHBondContact O-NZ 3.03Å; S21-K25 WeakPolarHBondContact O-CG 3.37Å; S21-K25 PolarHBondContact O-N 3.46Å; A22-K25 WeakPolarHBondContact O-CB 3.39Å; A22-K25 PolarHBondContact O-N 2.84Å; L23-K25 VanDerWaalsContact C-N 3.26Å; L23-K25 PolarHBondContact O-N 3.46Å
26	E	89.1	Confident	79.2	Confident	103 Å²	103	69.9 Å²	69.9	48%	0.481	40%	0.404	S	S	.	.	H	α-helix	trans	-73.4	-38.7	-177.8	-163.5	-175	168.2	0	0	113.1	A22 L23 K338	A22-E26 WeakPolarHBondContact O-CB 3.4Å; A22-E26 PolarHBondContact O-N 2.86Å; L23-E26 PolarHBondContact O-N 3.29Å; E26-K338 HydrophobicContact CG-CB 4.32Å; E26-K338 HydrophobicContact CG-CD 4.29Å
27	I	89.5	Confident	81.2	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.021	39%	0.392	C	S	.	.	H	α-helix	trans	-70.8	-41.9	174.3	-63.9	166.8	0	0	0	110	L23 Q31 F32 Y38 F327 L329 K338	L23-I27 HydrophobicContact CD1-CD1 3.95Å; L23-I27 HydrophobicContact CD1-CG1 4.23Å; L23-I27 HydrophobicContact CD2-CD1 4.44Å; L23-I27 HydrophobicContact CG-CD1 3.79Å; L23-I27 HydrophobicContact CG-CG1 4.45Å; L23-I27 VanDerWaalsContact O-CG1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.36Å; L23-I27 PolarHBondContact O-N 3.48Å; I27-Q31 HydrophobicContact CG2-CB 3.96Å; I27-Q31 WeakPolarHBondContact O-CB 3.46Å; I27-Q31 PolarHBondContact O-OE1 3.5Å; I27-F32 HydrophobicContact CB-CD2 4.17Å; I27-F32 HydrophobicContact CD1-CD2 3.81Å; I27-F32 HydrophobicContact CD1-CE2 3.84Å; I27-F32 HydrophobicContact CG2-CB 3.92Å; I27-F32 HydrophobicContact CG2-CD2 4.03Å; I27-F32 HydrophobicContact CG2-CG 4.33Å; I27-Y38 HydrophobicContact CD1-CD2 3.84Å; I27-Y38 HydrophobicContact CD1-CE2 3.65Å; I27-F327 HydrophobicContact CD1-CE2 3.8Å; I27-F327 HydrophobicContact CD1-CZ 3.94Å; I27-F327 HydrophobicContact CG1-CE2 4.01Å; I27-F327 HydrophobicContact CG1-CZ 4.19Å; I27-F327 HydrophobicContact CG2-CE1 3.86Å; I27-F327 HydrophobicContact CG2-CE2 4.38Å; I27-F327 HydrophobicContact CG2-CZ 3.74Å; I27-L329 HydrophobicContact CD1-CD2 4.34Å; I27-K338 HydrophobicContact CG1-CD 4.03Å
28	G	84.4	Confident	83.4	Confident	15 Å²	15	65.2 Å²	65.2	16%	0.155	37%	0.367	C	S	.	.			trans	82.7	153.4	-176.3	0	0	0	0	0	113.2	E24 E30 Q31 F32	E24-G28 PolarHBondContact O-N 2.85Å; G28-E30 VanDerWaalsContact C-N 3.29Å; G28-E30 PolarHBondContact O-N 2.96Å; G28-Q31 PolarHBondContact O-N 2.85Å; G28-F32 WeakPolarHBondContact O-CB 3.21Å; G28-F32 PolarHBondContact O-N 3.44Å
29	P	75.4	Confident	85.4	Confident	65 Å²	65	61.1 Å²	61.1	42%	0.422	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.5	-170.6	25.9	-33.1	0	0	0	113.9	C14 M16	C14-P29 WeakPolarHBondContact O-CB 3.37Å; M16-P29 HydrophobicContact CG-CB 3.89Å; M16-P29 HydrophobicContact CG-CG 4.18Å
30	E	78.5	Confident	87.1	Confident	188 Å²	188	53.4 Å²	53.4	88%	0.879	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-30.6	-179.7	-63.1	-172.5	170.9	0	0	112.4	G28	G28-E30 VanDerWaalsContact C-N 3.29Å; G28-E30 PolarHBondContact O-N 2.96Å
31	Q	81	Confident	88.5	Confident	114 Å²	114	52.8 Å²	52.8	53%	0.533	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-20.9	-179.5	-57.5	-177.7	5.9	0	0	112.3	I27 G28 P33	I27-Q31 HydrophobicContact CG2-CB 3.96Å; I27-Q31 WeakPolarHBondContact O-CB 3.46Å; I27-Q31 PolarHBondContact O-OE1 3.5Å; G28-Q31 PolarHBondContact O-N 2.85Å; Q31-P33 WeakPolarHBondContact O-CD 3.07Å
32	F	86.9	Confident	89.2	Confident	13 Å²	13	53.5 Å²	53.5	6%	0.057	29%	0.288	C	S	.	.	S	Bend	trans	-70.2	110.6	-178.7	-158.7	-63.1	0	0	0	110.6	E24 I27 G28 V34 E36 Y38 K97 V98	E24-F32 HydrophobicContact CG-CD2 4.18Å; E24-F32 HydrophobicContact CG-CE2 3.87Å; I27-F32 HydrophobicContact CB-CD2 4.17Å; I27-F32 HydrophobicContact CD1-CD2 3.81Å; I27-F32 HydrophobicContact CD1-CE2 3.84Å; I27-F32 HydrophobicContact CG2-CB 3.92Å; I27-F32 HydrophobicContact CG2-CD2 4.03Å; I27-F32 HydrophobicContact CG2-CG 4.33Å; G28-F32 WeakPolarHBondContact O-CB 3.21Å; G28-F32 PolarHBondContact O-N 3.44Å; F32-V34 PolarHBondContact O-N 2.79Å; F32-E36 WeakPolarHBondContact CE1-O 3.43Å; F32-Y38 HydrophobicContact CD1-CE2 4.44Å; F32-Y38 HydrophobicContact CD2-CE2 4.13Å; F32-Y38 HydrophobicContact CE1-CD2 4.23Å; F32-Y38 AromaticContact CE1-CE2 3.82Å; F32-Y38 HydrophobicContact CE1-CE2 3.82Å; F32-Y38 AromaticContact CE2-CD2 3.49Å; F32-Y38 HydrophobicContact CE2-CD2 3.49Å; F32-Y38 VanDerWaalsContact CE2-CD2 3.49Å; F32-Y38 AromaticContact CE2-CE2 3.49Å; F32-Y38 HydrophobicContact CE2-CE2 3.49Å; F32-Y38 VanDerWaalsContact CE2-CE2 3.49Å; F32-Y38 AromaticContact CZ-CD2 3.3Å; F32-Y38 HydrophobicContact CZ-CD2 3.3Å; F32-Y38 AromaticContact CZ-CE2 3.28Å; F32-Y38 HydrophobicContact CZ-CE2 3.28Å; F32-Y38 HydrophobicContact CZ-CG 4.3Å; F32-K97 HydrophobicContact CD1-CD 3.72Å; F32-K97 HydrophobicContact CE1-CB 3.84Å; F32-K97 HydrophobicContact CE1-CD 3.53Å; F32-K97 HydrophobicContact CE1-CG 3.97Å; F32-K97 HydrophobicContact CE2-CB 4.33Å; F32-K97 HydrophobicContact CG-CD 4.44Å; F32-K97 HydrophobicContact CZ-CB 3.6Å; F32-K97 HydrophobicContact CZ-CD 4.06Å; F32-K97 HydrophobicContact CZ-CG 4.25Å; F32-V98 HydrophobicContact CE2-CG2 4.03Å; F32-V98 HydrophobicContact CZ-CG2 4.26Å
33	P	87.8	Confident	89.7	Confident	14 Å²	14	52.3 Å²	52.3	9%	0.091	27%	0.27	C	S	.	.			trans	-62.8	138.1	-176.1	-18.5	32.1	0	0	0	111.8	Q31 N35 E36 Y38 H325	Q31-P33 WeakPolarHBondContact O-CD 3.07Å; P33-N35 VanDerWaalsContact C-N 3.25Å; P33-N35 PolarHBondContact O-N 2.85Å; P33-E36 HydrophobicContact CB-CB 3.97Å; P33-E36 HydrophobicContact CB-CG 3.67Å; P33-E36 HydrophobicContact CG-CB 4.26Å; P33-E36 HydrophobicContact CG-CG 4.02Å; P33-E36 PolarHBondContact O-N 2.88Å; P33-Y38 WeakPolarHBondContact CD-OH 3.44Å; P33-Y38 WeakPolarHBondContact CG-OH 3.33Å; P33-H325 WeakPolarHBondContact CB-CE1 3.43Å; P33-H325 HydrophobicContact CG-CB 4.37Å; P33-H325 WeakPolarHBondContact CG-CE1 3.22Å; P33-H325 WeakPolarHBondContact CG-ND1 3.44Å
34	V	83.2	Confident	90	Very high	118 Å²	118	54.7 Å²	54.7	72%	0.715	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.6	-170.5	179.4	0	0	0	0	112.5	F32	F32-V34 PolarHBondContact O-N 2.79Å
35	N	87	Confident	90.2	Very high	136 Å²	136	54.2 Å²	54.2	73%	0.727	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	7.9	-172	-61.8	-27	0	0	0	113.9	P33	P33-N35 VanDerWaalsContact C-N 3.25Å; P33-N35 PolarHBondContact O-N 2.85Å
36	E	93.7	Very high	90.6	Very high	19 Å²	19	51.5 Å²	51.5	9%	0.089	28%	0.278	C	S	.	.			trans	-97.4	149.2	-179.8	-68.6	-63.6	163.7	0	0	112.1	F32 P33 Y38 R64 H325	F32-E36 WeakPolarHBondContact CE1-O 3.43Å; P33-E36 HydrophobicContact CB-CB 3.97Å; P33-E36 HydrophobicContact CB-CG 3.67Å; P33-E36 HydrophobicContact CG-CB 4.26Å; P33-E36 HydrophobicContact CG-CG 4.02Å; P33-E36 PolarHBondContact O-N 2.88Å; E36-Y38 HydrophobicContact CB-CE1 3.82Å; E36-R64 IonicContact OE1-CZ 3.82Å; E36-R64 IonicContact OE1-NH1 3.78Å; E36-R64 PolarHBondContact OE1-NH1 3.47Å; E36-R64 IonicContact OE1-NH2 3.8Å; E36-R64 PolarHBondContact OE1-NH2 3.07Å; E36-R64 IonicContact OE2-CZ 3.3Å; E36-R64 IonicContact OE2-NH1 2.75Å; E36-R64 PolarHBondContact OE2-NH1 3.36Å; E36-R64 IonicContact OE2-NH2 3.69Å; E36-H325 IonicContact OE1-CE1 2.65Å
37	H	95.6	Very high	91	Very high	24 Å²	24	46.7 Å²	46.7	11%	0.111	26%	0.256	C	S	.	.			trans	-134.5	127	-179.8	-62.1	89.3	0	0	0	108.7	F39 I91 A92 Q94 K96 K97	H37-F39 HydrophobicContact CB-CD2 3.91Å; H37-F39 HydrophobicContact CB-CE2 3.92Å; H37-I91 HydrophobicContact CB-CG2 4.33Å; H37-I91 VanDerWaalsContact CB-O 3.3Å; H37-I91 WeakPolarHBondContact CB-O 3.37Å; H37-A92 PolarHBondContact CE1-O 3.02Å; H37-A92 PolarHBondContact ND1-O 2.84Å; H37-Q94 PolarHBondContact NE2-O 3.15Å; H37-K96 PolarHBondContact CD2-O 2.83Å; H37-K97 CarbonylContact C-O 3.31Å; H37-K97 WeakPolarHBondContact CA-O 3.38Å
38	Y	96.8	Very high	91.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	96.2	-175.7	-52.6	-42.7	0	0	0	109.9	L23 I27 F32 P33 E36 F59 K97 V98 G99 S324 F327 L329	L23-Y38 HydrophobicContact CD2-CD2 4.29Å; I27-Y38 HydrophobicContact CD1-CD2 3.84Å; I27-Y38 HydrophobicContact CD1-CE2 3.65Å; F32-Y38 HydrophobicContact CD1-CE2 4.44Å; F32-Y38 HydrophobicContact CD2-CE2 4.13Å; F32-Y38 HydrophobicContact CE1-CD2 4.23Å; F32-Y38 AromaticContact CE1-CE2 3.82Å; F32-Y38 HydrophobicContact CE1-CE2 3.82Å; F32-Y38 AromaticContact CE2-CD2 3.49Å; F32-Y38 HydrophobicContact CE2-CD2 3.49Å; F32-Y38 VanDerWaalsContact CE2-CD2 3.49Å; F32-Y38 AromaticContact CE2-CE2 3.49Å; F32-Y38 HydrophobicContact CE2-CE2 3.49Å; F32-Y38 VanDerWaalsContact CE2-CE2 3.49Å; F32-Y38 AromaticContact CZ-CD2 3.3Å; F32-Y38 HydrophobicContact CZ-CD2 3.3Å; F32-Y38 AromaticContact CZ-CE2 3.28Å; F32-Y38 HydrophobicContact CZ-CE2 3.28Å; F32-Y38 HydrophobicContact CZ-CG 4.3Å; P33-Y38 WeakPolarHBondContact CD-OH 3.44Å; P33-Y38 WeakPolarHBondContact CG-OH 3.33Å; E36-Y38 HydrophobicContact CB-CE1 3.82Å; Y38-F59 HydrophobicContact CD1-CE1 4.38Å; Y38-F59 AromaticContact CD1-CZ 3.96Å; Y38-F59 HydrophobicContact CD1-CZ 3.96Å; Y38-F59 HydrophobicContact CE1-CE1 4.09Å; Y38-F59 HydrophobicContact CE1-CZ 4.14Å; Y38-K97 PolarHBondContact N-O 2.62Å; Y38-V98 VanDerWaalsContact O-CA 3.32Å; Y38-V98 WeakPolarHBondContact O-CA 3.28Å; Y38-G99 PolarHBondContact O-N 2.69Å; Y38-S324 PolarHBondContact OH-OG 3.14Å; Y38-F327 HydrophobicContact CE2-CE2 4.24Å; Y38-F327 HydrophobicContact CE2-CZ 4.01Å; Y38-F327 AromaticContact CZ-CZ 3.93Å; Y38-F327 WeakPolarHBondContact OH-CZ 3.5Å; Y38-L329 HydrophobicContact CD1-CD1 3.45Å; Y38-L329 VanDerWaalsContact CD1-CD1 3.45Å; Y38-L329 HydrophobicContact CD2-CD1 3.98Å; Y38-L329 HydrophobicContact CE1-CD1 3.58Å; Y38-L329 HydrophobicContact CE2-CD1 4.11Å; Y38-L329 HydrophobicContact CG-CD1 3.66Å
39	F	97.9	Very high	92	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125	-175.1	-79.1	-104.6	0	0	0	111.3	H37 Q55 I91 Q94 K96 G99 I101	H37-F39 HydrophobicContact CB-CD2 3.91Å; H37-F39 HydrophobicContact CB-CE2 3.92Å; F39-Q55 PolarHBondContact O-NE2 2.92Å; F39-I91 HydrophobicContact CB-CG2 4.42Å; F39-Q94 HydrophobicContact CD1-CG 4.15Å; F39-Q94 HydrophobicContact CD2-CB 4.46Å; F39-Q94 HydrophobicContact CD2-CG 4.17Å; F39-Q94 HydrophobicContact CE1-CB 4.14Å; F39-Q94 HydrophobicContact CE1-CG 3.62Å; F39-Q94 HydrophobicContact CE2-CB 3.57Å; F39-Q94 HydrophobicContact CE2-CG 3.66Å; F39-Q94 HydrophobicContact CG-CG 4.41Å; F39-Q94 HydrophobicContact CZ-CB 3.39Å; F39-Q94 HydrophobicContact CZ-CG 3.37Å; F39-K96 WeakPolarHBondContact CE2-O 3.39Å; F39-K96 HydrophobicContact CZ-CB 4.31Å; F39-K96 WeakPolarHBondContact CZ-O 3.36Å; F39-G99 CarbonylContact C-O 3.59Å; F39-G99 VanDerWaalsContact CA-O 3.25Å; F39-G99 WeakPolarHBondContact CA-O 3.42Å; F39-G99 VanDerWaalsContact CE1-CA 3.47Å; F39-I101 HydrophobicContact CB-CD1 3.99Å; F39-I101 HydrophobicContact CB-CG1 4.37Å; F39-I101 HydrophobicContact CD1-CD1 3.74Å; F39-I101 HydrophobicContact CD1-CG1 3.71Å; F39-I101 HydrophobicContact CE1-CD1 4.46Å; F39-I101 HydrophobicContact CE1-CG1 4.43Å; F39-I101 HydrophobicContact CG-CD1 3.88Å; F39-I101 HydrophobicContact CG-CG1 4.28Å
40	G	98.2	Very high	93.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	159.9	166.7	0	0	0	0	0	111.4	G99 V100 I101 D333	G40-G99 PolarHBondContact N-O 3.02Å; G40-V100 CarbonylContact O-C 3.51Å; G40-V100 WeakPolarHBondContact O-CA 3.39Å; G40-I101 PolarHBondContact O-N 2.74Å; G40-D333 CarbonylContact C-O 3.57Å; G40-D333 VanDerWaalsContact C-O 3.31Å; G40-D333 WeakPolarHBondContact CA-O 3.41Å
41	L	98.6	Very high	94.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.4	177.1	-64.7	178	0	0	0	110.8	N43 N51 L54 Q55 L87 I101 P103 D333 D334	L41-N43 PolarHBondContact O-N 2.53Å; L41-N51 HydrophobicContact CB-CB 4.09Å; L41-N51 HydrophobicContact CD1-CB 4.22Å; L41-N51 PolarHBondContact O-ND2 2.79Å; L41-N51 VanDerWaalsContact O-ND2 3.17Å; L41-L54 HydrophobicContact CD1-CB 3.99Å; L41-L54 HydrophobicContact CD1-CD1 4.17Å; L41-Q55 HydrophobicContact CD1-CG 4.35Å; L41-L87 HydrophobicContact CD2-CD1 4.09Å; L41-I101 WeakPolarHBondContact CA-O 3.45Å; L41-I101 HydrophobicContact CD2-CB 4.37Å; L41-I101 HydrophobicContact CD2-CG2 4.45Å; L41-P103 HydrophobicContact CB-CG 4.27Å; L41-P103 HydrophobicContact CD2-CG 4.44Å; L41-D333 PolarHBondContact N-O 2.97Å; L41-D333 CarbonylContact O-C 3.44Å; L41-D333 WeakPolarHBondContact O-CA 3.42Å; L41-D334 PolarHBondContact O-N 2.93Å
42	V	98.4	Very high	94.9	Very high	49 Å²	49	29.2 Å²	29.2	30%	0.297	17%	0.165	S	C	.	.			trans	-61.1	131.9	177.7	-177.8	0	0	0	0	110.7	F44 N51 V100 I101 P102	V42-F44 HydrophobicContact CB-CE2 4Å; V42-F44 HydrophobicContact CB-CZ 4.44Å; V42-F44 HydrophobicContact CG1-CE2 4.19Å; V42-F44 HydrophobicContact CG1-CZ 4.32Å; V42-F44 WeakPolarHBondContact O-CD2 3.49Å; V42-N51 PolarHBondContact O-ND2 3.18Å; V42-V100 HydrophobicContact CG2-CG1 3.57Å; V42-I101 PolarHBondContact N-O 3.22Å; V42-I101 VanDerWaalsContact N-O 3.14Å; V42-P102 HydrophobicContact CB-CB 4.31Å; V42-P102 HydrophobicContact CG2-CB 3.99Å
43	N	97.5	Very high	95.5	Very high	56 Å²	56	28.6 Å²	28.6	30%	0.299	16%	0.162	S	C	.	.			trans	-74.8	121.5	171.9	-167.1	-47.1	0	0	0	111.1	L41 G45 N46 T47 D333	L41-N43 PolarHBondContact O-N 2.53Å; N43-G45 VanDerWaalsContact C-N 3.34Å; N43-G45 PolarHBondContact O-N 3.49Å; N43-G45 WeakPolarHBondContact OD1-CA 3.39Å; N43-G45 PolarHBondContact OD1-N 3.45Å; N43-N46 PolarHBondContact OD1-N 2.94Å; N43-T47 PolarHBondContact OD1-N 2.78Å; N43-D333 HydrophobicContact CB-CB 4.36Å; N43-D333 WeakPolarHBondContact CB-OD2 3.01Å; N43-D333 PolarHBondContact ND2-OD2 3.27Å
44	F	96.1	Very high	96	Very high	58 Å²	58	28 Å²	28	25%	0.254	16%	0.158	S	C	.	.	S	Bend	trans	-99.8	38.6	179.4	-78.8	-80.3	0	0	0	112.7	V42 T47 P102 P103 K104 I107 R111	V42-F44 HydrophobicContact CB-CE2 4Å; V42-F44 HydrophobicContact CB-CZ 4.44Å; V42-F44 HydrophobicContact CG1-CE2 4.19Å; V42-F44 HydrophobicContact CG1-CZ 4.32Å; V42-F44 WeakPolarHBondContact O-CD2 3.49Å; F44-T47 HydrophobicContact CB-CG2 4.03Å; F44-T47 PolarHBondContact N-OG1 2.77Å; F44-P102 HydrophobicContact CE2-CB 3.93Å; F44-P102 HydrophobicContact CZ-CB 3.72Å; F44-P103 HydrophobicContact CD2-CG 4.15Å; F44-P103 HydrophobicContact CE2-CG 4.14Å; F44-K104 HydrophobicContact CE1-CB 4.18Å; F44-K104 HydrophobicContact CE1-CD 4.49Å; F44-K104 HydrophobicContact CE1-CG 4.17Å; F44-K104 HydrophobicContact CE2-CB 4.15Å; F44-K104 HydrophobicContact CZ-CB 3.68Å; F44-K104 HydrophobicContact CZ-CG 4.17Å; F44-I107 HydrophobicContact CB-CG1 4.45Å; F44-I107 HydrophobicContact CB-CG2 4.15Å; F44-I107 HydrophobicContact CD2-CG1 4.2Å; F44-R111 PolarHBondContact O-NH2 3.31Å
45	G	92.1	Very high	96.7	Very high	31 Å²	31	22.6 Å²	22.6	32%	0.32	13%	0.125	S	C	.	.	S	Bend	trans	84.5	98.1	-179.1	0	0	0	0	0	111.7	N43 T47	N43-G45 VanDerWaalsContact C-N 3.34Å; N43-G45 PolarHBondContact O-N 3.49Å; N43-G45 WeakPolarHBondContact OD1-CA 3.39Å; N43-G45 PolarHBondContact OD1-N 3.45Å; G45-T47 PolarHBondContact O-N 3.16Å
46	N	94.9	Very high	97.3	Very high	65 Å²	65	16.1 Å²	16.1	35%	0.348	9%	0.091	S	C	.	.	S	Bend	trans	55.8	32.3	-178.3	-65.8	-45.7	0	0	0	114.1	N43 Y49 Y120 Q122	N43-N46 PolarHBondContact OD1-N 2.94Å; N46-Y49 VanDerWaalsContact O-CD1 3.24Å; N46-Y49 WeakPolarHBondContact O-CD1 3.33Å; N46-Y49 VanDerWaalsContact O-CE1 3.24Å; N46-Y49 WeakPolarHBondContact O-CE1 3.31Å; N46-Y120 WeakPolarHBondContact CB-O 3.44Å; N46-Y120 PolarHBondContact ND2-O 3.43Å; N46-Q122 HydrophobicContact CB-CG 3.95Å
47	T	97.4	Very high	97.6	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.012	9%	0.086	C	C	.	.			trans	-97.2	13.8	-179.3	64.7	0	0	0	0	114.1	N43 F44 G45 Y49 C50 N51 I107	N43-T47 PolarHBondContact OD1-N 2.78Å; F44-T47 HydrophobicContact CB-CG2 4.03Å; F44-T47 PolarHBondContact N-OG1 2.77Å; G45-T47 PolarHBondContact O-N 3.16Å; T47-Y49 VanDerWaalsContact C-N 3.27Å; T47-Y49 PolarHBondContact O-N 3.47Å; T47-C50 WeakPolarHBondContact O-CA 3.25Å; T47-C50 VanDerWaalsContact O-CB 3.31Å; T47-C50 WeakPolarHBondContact O-CB 3.38Å; T47-C50 PolarHBondContact O-N 2.78Å; T47-N51 PolarHBondContact O-N 3.43Å; T47-I107 HydrophobicContact CG2-CD1 4.13Å; T47-I107 HydrophobicContact CG2-CG2 4.32Å
48	C	97.8	Very high	97.7	Very high	5 Å²	5	14.2 Å²	14.2	3%	0.034	8%	0.082	C	C	.	.	H	α-helix	trans	-63	-30.7	-179.6	53.3	0	0	0	0	113	C50 N51 S52 H317 D333	C48-C50 PolarHBondContact O-N 2.84Å; C48-N51 PolarHBondContact O-N 2.92Å; C48-S52 WeakPolarHBondContact O-CB 3.26Å; C48-S52 PolarHBondContact O-N 2.82Å; C48-S52 PolarHBondContact O-OG 2.64Å; C48-H317 WeakPolarHBondContact CB-ND1 3.38Å; C48-H317 PolarHBondContact SG-ND1 3.32Å; C48-D333 WeakPolarHBondContact CA-OD1 3.48Å
49	Y	97.8	Very high	97.7	Very high	8 Å²	8	15 Å²	15	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-57.9	-38.4	170.8	73.6	-90.1	0	0	0	111.8	N46 T47 S52 V53 F117 Q123 F128	N46-Y49 VanDerWaalsContact O-CD1 3.24Å; N46-Y49 WeakPolarHBondContact O-CD1 3.33Å; N46-Y49 VanDerWaalsContact O-CE1 3.24Å; N46-Y49 WeakPolarHBondContact O-CE1 3.31Å; T47-Y49 VanDerWaalsContact C-N 3.27Å; T47-Y49 PolarHBondContact O-N 3.47Å; Y49-S52 PolarHBondContact O-OG 2.83Å; Y49-S52 VanDerWaalsContact O-OG 3.05Å; Y49-V53 WeakPolarHBondContact O-CG2 3.22Å; Y49-V53 PolarHBondContact O-N 2.86Å; Y49-F117 AromaticContact CE2-CD1 3.84Å; Y49-F117 HydrophobicContact CE2-CD1 3.84Å; Y49-F117 AromaticContact CE2-CE1 3.97Å; Y49-F117 HydrophobicContact CE2-CE1 3.97Å; Y49-F117 AromaticContact CZ-CD1 3.95Å; Y49-F117 WeakPolarHBondContact OH-CD1 3.45Å; Y49-Q123 WeakPolarHBondContact CB-O 3.39Å; Y49-Q123 HydrophobicContact CD1-CB 3.77Å; Y49-Q123 HydrophobicContact CD1-CG 4.36Å; Y49-Q123 HydrophobicContact CD2-CB 3.98Å; Y49-Q123 HydrophobicContact CE1-CB 3.68Å; Y49-Q123 HydrophobicContact CE1-CG 3.82Å; Y49-Q123 HydrophobicContact CE2-CB 3.93Å; Y49-Q123 HydrophobicContact CE2-CG 4.48Å; Y49-Q123 HydrophobicContact CG-CB 3.92Å; Y49-F128 HydrophobicContact CD2-CB 3.65Å; Y49-F128 HydrophobicContact CD2-CD1 4.25Å; Y49-F128 AromaticContact CD2-CG 3.88Å; Y49-F128 HydrophobicContact CD2-CG 3.88Å; Y49-F128 HydrophobicContact CE2-CB 3.79Å; Y49-F128 HydrophobicContact CE2-CD1 4.46Å; Y49-F128 AromaticContact CE2-CD2 3.99Å; Y49-F128 HydrophobicContact CE2-CD2 3.99Å; Y49-F128 AromaticContact CE2-CG 3.81Å; Y49-F128 HydrophobicContact CE2-CG 3.81Å
50	C	98.3	Very high	97.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-74.9	-47.7	177.8	175.5	0	0	0	0	110.2	T47 C48 S52 V53 L54 I107 F128	T47-C50 WeakPolarHBondContact O-CA 3.25Å; T47-C50 VanDerWaalsContact O-CB 3.31Å; T47-C50 WeakPolarHBondContact O-CB 3.38Å; T47-C50 PolarHBondContact O-N 2.78Å; C48-C50 PolarHBondContact O-N 2.84Å; C50-S52 PolarHBondContact O-N 2.8Å; C50-V53 PolarHBondContact O-N 2.83Å; C50-L54 WeakPolarHBondContact O-CB 3.45Å; C50-L54 WeakPolarHBondContact O-CG 3.5Å; C50-L54 PolarHBondContact O-N 3.3Å; C50-L54 VanDerWaalsContact SG-CD1 3.55Å; C50-I107 HydrophobicContact CB-CD1 4.27Å; C50-F128 HydrophobicContact CB-CD1 4.4Å; C50-F128 HydrophobicContact CB-CE1 4.07Å; C50-F128 HydrophobicContact CB-CZ 4.14Å; C50-F128 WeakPolarHBondContact SG-CZ 3.33Å
51	N	98.6	Very high	97.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.011	11%	0.109	C	C	.	.	H	α-helix	trans	-59.7	-47.1	-178.9	-70.6	-13.9	0	0	0	111.7	L41 V42 T47 C48 V53 L54 Q55 D333	L41-N51 HydrophobicContact CB-CB 4.09Å; L41-N51 HydrophobicContact CD1-CB 4.22Å; L41-N51 PolarHBondContact O-ND2 2.79Å; L41-N51 VanDerWaalsContact O-ND2 3.17Å; V42-N51 PolarHBondContact O-ND2 3.18Å; T47-N51 PolarHBondContact O-N 3.43Å; C48-N51 PolarHBondContact O-N 2.92Å; N51-V53 PolarHBondContact O-N 3.1Å; N51-L54 PolarHBondContact O-N 2.9Å; N51-Q55 VanDerWaalsContact O-CG 3.28Å; N51-Q55 WeakPolarHBondContact O-CG 3.39Å; N51-Q55 PolarHBondContact O-N 3.42Å; N51-D333 WeakPolarHBondContact CB-OD1 3.4Å; N51-D333 PolarHBondContact ND2-OD1 3.22Å
52	S	98.7	Very high	97.6	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.028	11%	0.114	C	C	.	.	H	α-helix	trans	-59.7	-44.9	178.5	55.9	0	0	0	0	112.9	C48 Y49 C50 Q55 A56 Y318 A320	C48-S52 WeakPolarHBondContact O-CB 3.26Å; C48-S52 PolarHBondContact O-N 2.82Å; C48-S52 PolarHBondContact O-OG 2.64Å; Y49-S52 PolarHBondContact O-OG 2.83Å; Y49-S52 VanDerWaalsContact O-OG 3.05Å; C50-S52 PolarHBondContact O-N 2.8Å; S52-Q55 PolarHBondContact O-N 2.77Å; S52-A56 PolarHBondContact O-N 2.72Å; S52-Y318 WeakPolarHBondContact OG-CB 3.3Å; S52-A320 WeakPolarHBondContact O-CB 3.12Å
53	V	98.8	Very high	97.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.7	-41.4	176.3	170.4	0	0	0	0	111.8	Y49 C50 N51 Q55 A56 L57 A125 F128 L129 V306 I363	Y49-V53 WeakPolarHBondContact O-CG2 3.22Å; Y49-V53 PolarHBondContact O-N 2.86Å; C50-V53 PolarHBondContact O-N 2.83Å; N51-V53 PolarHBondContact O-N 3.1Å; V53-Q55 VanDerWaalsContact C-N 3.33Å; V53-Q55 PolarHBondContact O-N 2.89Å; V53-A56 PolarHBondContact O-N 3.46Å; V53-L57 HydrophobicContact CG1-CD1 3.88Å; V53-L57 HydrophobicContact CG1-CG 4.28Å; V53-L57 WeakPolarHBondContact O-CB 3.34Å; V53-L57 WeakPolarHBondContact O-CG 3.33Å; V53-L57 PolarHBondContact O-N 3.11Å; V53-A125 HydrophobicContact CG2-CB 3.86Å; V53-A125 WeakPolarHBondContact CG2-O 3.39Å; V53-F128 HydrophobicContact CB-CD1 3.7Å; V53-F128 HydrophobicContact CB-CE1 3.78Å; V53-F128 HydrophobicContact CG1-CD1 3.76Å; V53-F128 HydrophobicContact CG1-CE1 3.71Å; V53-F128 HydrophobicContact CG2-CD1 4.01Å; V53-L129 HydrophobicContact CG1-CB 4.07Å; V53-L129 HydrophobicContact CG1-CD1 3.91Å; V53-L129 HydrophobicContact CG2-CB 4.48Å; V53-V306 HydrophobicContact CG2-CG2 4.23Å; V53-I363 HydrophobicContact CG2-CD1 4.49Å
54	L	98.8	Very high	97.7	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-61.8	-41	176.5	-72.2	175.3	0	0	0	111.9	L41 C50 N51 Y58 L84 L87 F106 L132	L41-L54 HydrophobicContact CD1-CB 3.99Å; L41-L54 HydrophobicContact CD1-CD1 4.17Å; C50-L54 WeakPolarHBondContact O-CB 3.45Å; C50-L54 WeakPolarHBondContact O-CG 3.5Å; C50-L54 PolarHBondContact O-N 3.3Å; C50-L54 VanDerWaalsContact SG-CD1 3.55Å; N51-L54 PolarHBondContact O-N 2.9Å; L54-Y58 WeakPolarHBondContact O-CB 3.25Å; L54-Y58 PolarHBondContact O-N 2.72Å; L54-L84 HydrophobicContact CD2-CD1 3.43Å; L54-L84 VanDerWaalsContact CD2-CD1 3.43Å; L54-L87 HydrophobicContact CD1-CD2 3.86Å; L54-F106 HydrophobicContact CD1-CD1 3.98Å; L54-F106 HydrophobicContact CD1-CE1 3.94Å; L54-F106 HydrophobicContact CD2-CE1 4.13Å; L54-F106 HydrophobicContact CD2-CE2 4.46Å; L54-F106 HydrophobicContact CD2-CZ 3.98Å; L54-F106 HydrophobicContact CG-CE1 4.44Å; L54-L132 HydrophobicContact CD2-CD2 4.24Å
55	Q	98.7	Very high	97.7	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.019	10%	0.101	C	C	.	.	H	α-helix	trans	-63.6	-49.3	174	-66.3	-67.6	10	0	0	110.7	F39 L41 N51 S52 V53 L57 Y58 F59 A320 F331	F39-Q55 PolarHBondContact O-NE2 2.92Å; L41-Q55 HydrophobicContact CD1-CG 4.35Å; N51-Q55 VanDerWaalsContact O-CG 3.28Å; N51-Q55 WeakPolarHBondContact O-CG 3.39Å; N51-Q55 PolarHBondContact O-N 3.42Å; S52-Q55 PolarHBondContact O-N 2.77Å; V53-Q55 VanDerWaalsContact C-N 3.33Å; V53-Q55 PolarHBondContact O-N 2.89Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L57 PolarHBondContact O-N 2.89Å; Q55-Y58 WeakPolarHBondContact O-CB 3.38Å; Q55-Y58 PolarHBondContact O-N 3.43Å; Q55-Y58 VanDerWaalsContact O-N 3.08Å; Q55-F59 WeakPolarHBondContact O-CD2 3.41Å; Q55-F59 PolarHBondContact O-N 2.81Å; Q55-F59 VanDerWaalsContact O-N 3.12Å; Q55-A320 HydrophobicContact CB-CB 3.86Å; Q55-F331 HydrophobicContact CB-CB 4.38Å; Q55-F331 HydrophobicContact CB-CG 4.37Å; Q55-F331 HydrophobicContact CG-CB 3.93Å; Q55-F331 HydrophobicContact CG-CD1 3.94Å; Q55-F331 HydrophobicContact CG-CG 3.97Å
56	A	98.8	Very high	98	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-56.3	-44.2	177.8	0	0	0	0	0	112.4	S52 V53 F59 C60 A304 V306 F365	S52-A56 PolarHBondContact O-N 2.72Å; V53-A56 PolarHBondContact O-N 3.46Å; A56-F59 PolarHBondContact O-N 3.39Å; A56-C60 PolarHBondContact O-N 3.22Å; A56-C60 VanDerWaalsContact O-N 3.13Å; A56-C60 PolarHBondContact O-SG 3.48Å; A56-A304 HydrophobicContact CB-CB 3.72Å; A56-V306 HydrophobicContact CB-CG2 3.93Å; A56-F365 HydrophobicContact CB-CD2 3.84Å; A56-F365 HydrophobicContact CB-CE2 3.58Å; A56-F365 HydrophobicContact CB-CZ 4.17Å
57	L	98.8	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.4	-32.5	176.7	-71	176.4	0	0	0	113.2	V53 Q55 F59 C60 F63 F88 L129 L132 L133 F176 F365	V53-L57 HydrophobicContact CG1-CD1 3.88Å; V53-L57 HydrophobicContact CG1-CG 4.28Å; V53-L57 WeakPolarHBondContact O-CB 3.34Å; V53-L57 WeakPolarHBondContact O-CG 3.33Å; V53-L57 PolarHBondContact O-N 3.11Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L57 PolarHBondContact O-N 2.89Å; L57-F59 VanDerWaalsContact C-N 3.31Å; L57-F59 PolarHBondContact O-N 3.31Å; L57-C60 WeakPolarHBondContact O-CB 3.43Å; L57-C60 PolarHBondContact O-N 3.48Å; L57-F63 HydrophobicContact CB-CD1 3.86Å; L57-F63 HydrophobicContact CB-CE1 3.8Å; L57-F63 HydrophobicContact CD1-CE1 4.11Å; L57-F63 HydrophobicContact CD1-CZ 4.26Å; L57-F63 HydrophobicContact CD2-CD1 4.32Å; L57-F63 HydrophobicContact CD2-CE1 4.36Å; L57-F63 HydrophobicContact CG-CE1 4.32Å; L57-F63 WeakPolarHBondContact O-CD1 3.45Å; L57-F88 HydrophobicContact CB-CZ 4.28Å; L57-L129 HydrophobicContact CD1-CD1 4.11Å; L57-L129 HydrophobicContact CD2-CD1 4.07Å; L57-L129 HydrophobicContact CG-CD1 4.33Å; L57-L132 HydrophobicContact CD1-CD2 3.65Å; L57-L133 HydrophobicContact CD2-CD2 4.41Å; L57-F176 HydrophobicContact CD2-CE1 4.45Å; L57-F176 HydrophobicContact CD2-CE2 4.36Å; L57-F176 HydrophobicContact CD2-CZ 3.69Å; L57-F365 HydrophobicContact CD2-CE1 4.01Å
58	Y	98.6	Very high	98.2	Very high	4 Å²	4	22 Å²	22	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-64.7	-37.3	175.3	-173.8	-98.2	0	0	0	111.6	L54 Q55 C60 R64 F88 I91 A92	L54-Y58 WeakPolarHBondContact O-CB 3.25Å; L54-Y58 PolarHBondContact O-N 2.72Å; Q55-Y58 WeakPolarHBondContact O-CB 3.38Å; Q55-Y58 PolarHBondContact O-N 3.43Å; Q55-Y58 VanDerWaalsContact O-N 3.08Å; Y58-C60 VanDerWaalsContact C-N 3.34Å; Y58-R64 HydrophobicContact CD2-CG 4.24Å; Y58-R64 HydrophobicContact CE2-CG 4.12Å; Y58-R64 WeakPolarHBondContact O-CB 3.33Å; Y58-R64 WeakPolarHBondContact O-CD 3.36Å; Y58-F88 HydrophobicContact CD2-CB 4.23Å; Y58-F88 AromaticContact CD2-CD1 3.77Å; Y58-F88 HydrophobicContact CD2-CD1 3.77Å; Y58-F88 AromaticContact CD2-CD2 3.75Å; Y58-F88 HydrophobicContact CD2-CD2 3.75Å; Y58-F88 AromaticContact CD2-CE1 3.95Å; Y58-F88 HydrophobicContact CD2-CE1 3.95Å; Y58-F88 AromaticContact CD2-CE2 3.95Å; Y58-F88 HydrophobicContact CD2-CE2 3.95Å; Y58-F88 AromaticContact CD2-CG 3.66Å; Y58-F88 HydrophobicContact CD2-CG 3.66Å; Y58-F88 HydrophobicContact CD2-CZ 4.04Å; Y58-F88 HydrophobicContact CE2-CB 4.2Å; Y58-F88 HydrophobicContact CE2-CD2 4.36Å; Y58-F88 HydrophobicContact CE2-CG 4.13Å; Y58-F88 HydrophobicContact CG-CZ 4.45Å; Y58-I91 HydrophobicContact CD2-CD1 4.06Å; Y58-I91 HydrophobicContact CE1-CG2 3.82Å; Y58-I91 HydrophobicContact CE2-CB 3.92Å; Y58-I91 HydrophobicContact CE2-CD1 4.12Å; Y58-I91 HydrophobicContact CE2-CG2 3.94Å; Y58-I91 HydrophobicContact CG-CD1 4.49Å; Y58-I91 VanDerWaalsContact CZ-CG2 3.44Å; Y58-I91 WeakPolarHBondContact OH-CG2 3.45Å; Y58-A92 PolarHBondContact OH-N 2.94Å
59	F	97.9	Very high	98.2	Very high	15 Å²	15	24 Å²	24	7%	0.066	11%	0.114	C	C	.	.	H	α-helix	trans	-85	-7.5	177.2	-73.8	-87.7	0	0	0	113.8	Y38 Q55 A56 L57 R61 V322 F331	Y38-F59 HydrophobicContact CD1-CE1 4.38Å; Y38-F59 AromaticContact CD1-CZ 3.96Å; Y38-F59 HydrophobicContact CD1-CZ 3.96Å; Y38-F59 HydrophobicContact CE1-CE1 4.09Å; Y38-F59 HydrophobicContact CE1-CZ 4.14Å; Q55-F59 WeakPolarHBondContact O-CD2 3.41Å; Q55-F59 PolarHBondContact O-N 2.81Å; Q55-F59 VanDerWaalsContact O-N 3.12Å; A56-F59 PolarHBondContact O-N 3.39Å; L57-F59 VanDerWaalsContact C-N 3.31Å; L57-F59 PolarHBondContact O-N 3.31Å; F59-R61 PolarHBondContact O-N 2.66Å; F59-V322 HydrophobicContact CB-CB 3.86Å; F59-V322 HydrophobicContact CB-CG1 4.02Å; F59-V322 HydrophobicContact CB-CG2 4.44Å; F59-V322 HydrophobicContact CD1-CB 4.25Å; F59-V322 HydrophobicContact CD1-CG2 3.98Å; F59-V322 HydrophobicContact CD2-CB 3.81Å; F59-V322 HydrophobicContact CD2-CG1 3.76Å; F59-V322 HydrophobicContact CD2-CG2 3.56Å; F59-V322 HydrophobicContact CE1-CG2 4.1Å; F59-V322 HydrophobicContact CE2-CB 4.44Å; F59-V322 HydrophobicContact CE2-CG2 3.7Å; F59-V322 HydrophobicContact CG-CB 3.69Å; F59-V322 HydrophobicContact CG-CG1 4.02Å; F59-V322 HydrophobicContact CG-CG2 3.71Å; F59-V322 HydrophobicContact CZ-CG2 3.96Å; F59-F331 AromaticContact CE2-CE2 3.75Å; F59-F331 HydrophobicContact CE2-CE2 3.75Å; F59-F331 AromaticContact CE2-CZ 3.65Å; F59-F331 HydrophobicContact CE2-CZ 3.65Å; F59-F331 HydrophobicContact CZ-CE2 4.04Å; F59-F331 AromaticContact CZ-CZ 3.83Å; F59-F331 HydrophobicContact CZ-CZ 3.83Å
60	C	98.1	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-72.2	88.8	162.7	-72.6	0	0	0	0	110	A56 L57 Y58 F63 R64 I254	A56-C60 PolarHBondContact O-N 3.22Å; A56-C60 VanDerWaalsContact O-N 3.13Å; A56-C60 PolarHBondContact O-SG 3.48Å; L57-C60 WeakPolarHBondContact O-CB 3.43Å; L57-C60 PolarHBondContact O-N 3.48Å; Y58-C60 VanDerWaalsContact C-N 3.34Å; C60-F63 HydrophobicContact CB-CB 4.08Å; C60-F63 WeakPolarHBondContact O-CA 3.22Å; C60-F63 WeakPolarHBondContact O-CB 3.5Å; C60-F63 PolarHBondContact O-N 3.17Å; C60-R64 PolarHBondContact O-N 2.98Å; C60-I254 HydrophobicContact CB-CD1 3.56Å
61	R	96.4	Very high	98	Very high	143 Å²	143	27.7 Å²	27.7	54%	0.54	13%	0.13	S	C	.	.	H	α-helix	trans	-51	-50	-169	174.8	179.4	173.8	-166.9	-5.3	114.7	F59 F63 R64 E65	F59-R61 PolarHBondContact O-N 2.66Å; R61-F63 VanDerWaalsContact C-N 3.25Å; R61-F63 PolarHBondContact O-N 2.83Å; R61-R64 PolarHBondContact O-N 3.07Å; R61-E65 HydrophobicContact CG-CG 4.31Å; R61-E65 WeakPolarHBondContact CG-OE1 3.37Å; R61-E65 IonicContact CZ-OE1 3.65Å; R61-E65 IonicContact NE-OE1 2.77Å; R61-E65 PolarHBondContact NE-OE1 2.78Å; R61-E65 IonicContact NH2-OE1 3.14Å; R61-E65 PolarHBondContact NH2-OE1 2.97Å; R61-E65 WeakPolarHBondContact O-CG 3.26Å; R61-E65 PolarHBondContact O-N 3.45Å
62	P	97.7	Very high	97.7	Very high	16 Å²	16	32.3 Å²	32.3	10%	0.104	16%	0.162	C	C	.	.	H	α-helix	trans	-55.3	-39	176.2	-26.9	33.3	0	0	0	113.7	K66 I175 M253 I254	P62-K66 WeakPolarHBondContact O-CG 3.44Å; P62-K66 PolarHBondContact O-N 3.49Å; P62-I175 HydrophobicContact CB-CD1 4.03Å; P62-I175 HydrophobicContact CB-CG1 4.11Å; P62-I175 HydrophobicContact CB-CG2 4.47Å; P62-M253 HydrophobicContact CB-SD 3.61Å; P62-M253 HydrophobicContact CG-CG 4.38Å; P62-M253 HydrophobicContact CG-SD 3.55Å; P62-M253 VanDerWaalsContact CG-SD 3.55Å; P62-I254 HydrophobicContact CB-CD1 4.39Å; P62-I254 HydrophobicContact CG-CD1 4.16Å
63	F	98.6	Very high	97.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.9	-47.6	178.5	-176.7	-97.7	0	0	0	111.1	L57 C60 R61 E65 K66 V67 L84 F88 L133 I136 W171 I175 F176	L57-F63 HydrophobicContact CB-CD1 3.86Å; L57-F63 HydrophobicContact CB-CE1 3.8Å; L57-F63 HydrophobicContact CD1-CE1 4.11Å; L57-F63 HydrophobicContact CD1-CZ 4.26Å; L57-F63 HydrophobicContact CD2-CD1 4.32Å; L57-F63 HydrophobicContact CD2-CE1 4.36Å; L57-F63 HydrophobicContact CG-CE1 4.32Å; L57-F63 WeakPolarHBondContact O-CD1 3.45Å; C60-F63 HydrophobicContact CB-CB 4.08Å; C60-F63 WeakPolarHBondContact O-CA 3.22Å; C60-F63 WeakPolarHBondContact O-CB 3.5Å; C60-F63 PolarHBondContact O-N 3.17Å; R61-F63 VanDerWaalsContact C-N 3.25Å; R61-F63 PolarHBondContact O-N 2.83Å; F63-E65 VanDerWaalsContact C-N 3.31Å; F63-E65 PolarHBondContact O-N 2.8Å; F63-K66 PolarHBondContact O-N 3.02Å; F63-V67 HydrophobicContact CD1-CG2 4.04Å; F63-V67 HydrophobicContact CE1-CG2 3.71Å; F63-V67 HydrophobicContact CE2-CG2 4.35Å; F63-V67 HydrophobicContact CG-CG2 4.49Å; F63-V67 HydrophobicContact CZ-CG2 3.9Å; F63-V67 WeakPolarHBondContact O-CG2 3.26Å; F63-V67 PolarHBondContact O-N 3.01Å; F63-L84 HydrophobicContact CE1-CD2 4.11Å; F63-L84 HydrophobicContact CZ-CD2 3.96Å; F63-F88 AromaticContact CD1-CE2 3.9Å; F63-F88 HydrophobicContact CD1-CE2 3.9Å; F63-F88 HydrophobicContact CD1-CZ 4.35Å; F63-F88 AromaticContact CE1-CE2 3.9Å; F63-F88 HydrophobicContact CE1-CE2 3.9Å; F63-F88 HydrophobicContact CE1-CZ 4.08Å; F63-L133 HydrophobicContact CE2-CD2 3.92Å; F63-L133 HydrophobicContact CZ-CD2 4.39Å; F63-I136 HydrophobicContact CE2-CD1 4.29Å; F63-I136 HydrophobicContact CZ-CD1 3.86Å; F63-W171 HydrophobicContact CD2-CH2 4.42Å; F63-W171 AromaticContact CD2-CZ3 3.65Å; F63-W171 HydrophobicContact CD2-CZ3 3.65Å; F63-W171 HydrophobicContact CE2-CH2 4.03Å; F63-W171 AromaticContact CE2-CZ3 3.6Å; F63-W171 HydrophobicContact CE2-CZ3 3.6Å; F63-I175 HydrophobicContact CB-CD1 4.28Å; F63-F176 HydrophobicContact CB-CE2 4.29Å; F63-F176 HydrophobicContact CB-CZ 4.45Å; F63-F176 AromaticContact CD2-CE2 3.61Å; F63-F176 HydrophobicContact CD2-CE2 3.61Å; F63-F176 HydrophobicContact CD2-CZ 4.36Å; F63-F176 HydrophobicContact CE2-CE2 4.22Å; F63-F176 HydrophobicContact CG-CE2 4.18Å
64	R	98.2	Very high	96.6	Very high	32 Å²	32	42.1 Å²	42.1	12%	0.121	22%	0.219	C	C	.	.	H	α-helix	trans	-54.9	-45.9	174.8	179.3	175.6	65	174.7	6.9	112	E36 Y58 C60 R61 V67 L68 F88	E36-R64 IonicContact OE1-CZ 3.82Å; E36-R64 IonicContact OE1-NH1 3.78Å; E36-R64 PolarHBondContact OE1-NH1 3.47Å; E36-R64 IonicContact OE1-NH2 3.8Å; E36-R64 PolarHBondContact OE1-NH2 3.07Å; E36-R64 IonicContact OE2-CZ 3.3Å; E36-R64 IonicContact OE2-NH1 2.75Å; E36-R64 PolarHBondContact OE2-NH1 3.36Å; E36-R64 IonicContact OE2-NH2 3.69Å; Y58-R64 HydrophobicContact CD2-CG 4.24Å; Y58-R64 HydrophobicContact CE2-CG 4.12Å; Y58-R64 WeakPolarHBondContact O-CB 3.33Å; Y58-R64 WeakPolarHBondContact O-CD 3.36Å; C60-R64 PolarHBondContact O-N 2.98Å; R61-R64 PolarHBondContact O-N 3.07Å; R64-V67 PolarHBondContact O-N 2.69Å; R64-L68 HydrophobicContact CG-CD1 3.87Å; R64-L68 HydrophobicContact CG-CG 4.32Å; R64-L68 WeakPolarHBondContact O-CB 3.31Å; R64-L68 VanDerWaalsContact O-CG 3.29Å; R64-L68 WeakPolarHBondContact O-CG 3.46Å; R64-L68 PolarHBondContact O-N 3.03Å; R64-F88 HydrophobicContact CB-CD2 4.47Å; R64-F88 HydrophobicContact CB-CE2 4.44Å; R64-F88 HydrophobicContact CG-CD2 4.32Å
65	E	97.7	Very high	95.8	Very high	97 Å²	97	46.1 Å²	46.1	45%	0.453	23%	0.234	S	C	.	.	H	α-helix	trans	-61.6	-45.5	179.4	-73.3	176.1	176.7	0	0	112	R61 F63 L68 A69	R61-E65 HydrophobicContact CG-CG 4.31Å; R61-E65 WeakPolarHBondContact CG-OE1 3.37Å; R61-E65 IonicContact CZ-OE1 3.65Å; R61-E65 IonicContact NE-OE1 2.77Å; R61-E65 PolarHBondContact NE-OE1 2.78Å; R61-E65 IonicContact NH2-OE1 3.14Å; R61-E65 PolarHBondContact NH2-OE1 2.97Å; R61-E65 WeakPolarHBondContact O-CG 3.26Å; R61-E65 PolarHBondContact O-N 3.45Å; F63-E65 VanDerWaalsContact C-N 3.31Å; F63-E65 PolarHBondContact O-N 2.8Å; E65-L68 PolarHBondContact O-N 2.76Å; E65-A69 VanDerWaalsContact O-CB 3.29Å; E65-A69 WeakPolarHBondContact O-CB 3.46Å; E65-A69 PolarHBondContact O-N 3.15Å
66	K	98.2	Very high	94.7	Very high	81 Å²	81	56.6 Å²	56.6	35%	0.352	28%	0.279	S	S	.	.	H	α-helix	trans	-64.7	-40.2	176.4	-67.9	-75.2	-179.2	151.2	0	112.2	P62 F63 A69 Y70 W171 E174 I175	P62-K66 WeakPolarHBondContact O-CG 3.44Å; P62-K66 PolarHBondContact O-N 3.49Å; F63-K66 PolarHBondContact O-N 3.02Å; K66-A69 PolarHBondContact O-N 2.9Å; K66-Y70 WeakPolarHBondContact O-CB 3.44Å; K66-Y70 PolarHBondContact O-N 3.02Å; K66-W171 HydrophobicContact CB-CD2 3.71Å; K66-W171 HydrophobicContact CB-CE3 3.67Å; K66-W171 HydrophobicContact CB-CG 4.19Å; K66-W171 HydrophobicContact CB-CH2 4.45Å; K66-W171 HydrophobicContact CB-CZ2 4.47Å; K66-W171 HydrophobicContact CB-CZ3 4.06Å; K66-W171 HydrophobicContact CD-CB 3.72Å; K66-W171 HydrophobicContact CD-CD2 4.33Å; K66-W171 HydrophobicContact CD-CG 3.87Å; K66-W171 HydrophobicContact CG-CB 4.11Å; K66-W171 HydrophobicContact CG-CD2 4.06Å; K66-W171 HydrophobicContact CG-CE3 4.04Å; K66-W171 HydrophobicContact CG-CG 4.1Å; K66-E174 IonicContact NZ-OE2 2.76Å; K66-E174 PolarHBondContact NZ-OE2 2.93Å; K66-I175 HydrophobicContact CG-CD1 4.01Å
67	V	98.3	Very high	94.2	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.3	-42.5	177.4	171.6	0	0	0	0	111.6	F63 R64 Y70 K71 L84 A85 F88 W171	F63-V67 HydrophobicContact CD1-CG2 4.04Å; F63-V67 HydrophobicContact CE1-CG2 3.71Å; F63-V67 HydrophobicContact CE2-CG2 4.35Å; F63-V67 HydrophobicContact CG-CG2 4.49Å; F63-V67 HydrophobicContact CZ-CG2 3.9Å; F63-V67 WeakPolarHBondContact O-CG2 3.26Å; F63-V67 PolarHBondContact O-N 3.01Å; R64-V67 PolarHBondContact O-N 2.69Å; V67-Y70 WeakPolarHBondContact O-CB 3.37Å; V67-Y70 PolarHBondContact O-N 2.82Å; V67-K71 PolarHBondContact O-N 2.76Å; V67-L84 HydrophobicContact CG1-CG 4.24Å; V67-L84 HydrophobicContact CG2-CD2 4.29Å; V67-A85 HydrophobicContact CG1-CB 4.05Å; V67-F88 HydrophobicContact CB-CD2 3.81Å; V67-F88 HydrophobicContact CB-CE2 4.33Å; V67-F88 HydrophobicContact CG1-CB 3.87Å; V67-F88 HydrophobicContact CG1-CD2 3.53Å; V67-F88 HydrophobicContact CG1-CE2 4.29Å; V67-F88 HydrophobicContact CG1-CG 3.83Å; V67-F88 HydrophobicContact CG2-CD2 4.34Å; V67-F88 HydrophobicContact CG2-CE2 4.39Å; V67-W171 HydrophobicContact CG2-CH2 3.97Å
68	L	97.7	Very high	94	Very high	48 Å²	48	69.5 Å²	69.5	25%	0.251	34%	0.337	S	S	.	.	H	α-helix	trans	-67.2	-36.7	175	-69.5	175.5	0	0	0	112.2	R64 E65 Y70 K71 S72 F88 H89 A92	R64-L68 HydrophobicContact CG-CD1 3.87Å; R64-L68 HydrophobicContact CG-CG 4.32Å; R64-L68 WeakPolarHBondContact O-CB 3.31Å; R64-L68 VanDerWaalsContact O-CG 3.29Å; R64-L68 WeakPolarHBondContact O-CG 3.46Å; R64-L68 PolarHBondContact O-N 3.03Å; E65-L68 PolarHBondContact O-N 2.76Å; L68-Y70 VanDerWaalsContact C-N 3.33Å; L68-K71 WeakPolarHBondContact O-CB 3.33Å; L68-K71 PolarHBondContact O-N 3.06Å; L68-S72 PolarHBondContact O-N 3.14Å; L68-F88 HydrophobicContact CD2-CB 4.17Å; L68-H89 HydrophobicContact CD2-CB 4.09Å; L68-A92 HydrophobicContact CD1-CB 4.25Å; L68-A92 HydrophobicContact CD2-CB 4.16Å
69	A	97.4	Very high	93.9	Very high	47 Å²	47	70 Å²	70	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-69	-30.5	172.7	0	0	0	0	0	112.6	E65 K66 S72 Q73	E65-A69 VanDerWaalsContact O-CB 3.29Å; E65-A69 WeakPolarHBondContact O-CB 3.46Å; E65-A69 PolarHBondContact O-N 3.15Å; K66-A69 PolarHBondContact O-N 2.9Å; A69-S72 PolarHBondContact O-OG 3.36Å; A69-Q73 PolarHBondContact O-NE2 2.96Å
70	Y	96.7	Very high	93.8	Very high	7 Å²	7	69.3 Å²	69.3	3%	0.027	34%	0.338	C	S	.	.	H	α-helix	trans	-67	-38.6	171.8	-176.6	-90.2	0	0	0	111	K66 V67 L68 S72 Q73 R75 L81 T82 A85 L140 E143	K66-Y70 WeakPolarHBondContact O-CB 3.44Å; K66-Y70 PolarHBondContact O-N 3.02Å; V67-Y70 WeakPolarHBondContact O-CB 3.37Å; V67-Y70 PolarHBondContact O-N 2.82Å; L68-Y70 VanDerWaalsContact C-N 3.33Å; Y70-S72 VanDerWaalsContact C-N 3.28Å; Y70-S72 PolarHBondContact O-N 2.98Å; Y70-Q73 PolarHBondContact O-N 2.82Å; Y70-R75 HydrophobicContact CE1-CG 4.44Å; Y70-L81 HydrophobicContact CD1-CD1 4.32Å; Y70-L81 HydrophobicContact CD1-CD2 4.08Å; Y70-L81 HydrophobicContact CD1-CG 3.8Å; Y70-L81 HydrophobicContact CD2-CD2 3.84Å; Y70-L81 HydrophobicContact CD2-CG 4.46Å; Y70-L81 HydrophobicContact CE1-CB 4.42Å; Y70-L81 HydrophobicContact CE1-CD2 3.78Å; Y70-L81 HydrophobicContact CE1-CG 3.57Å; Y70-L81 HydrophobicContact CE2-CD2 3.51Å; Y70-L81 HydrophobicContact CE2-CG 4.26Å; Y70-L81 HydrophobicContact CG-CD2 4.11Å; Y70-L81 HydrophobicContact CG-CG 4.25Å; Y70-L81 VanDerWaalsContact CZ-CD2 3.48Å; Y70-T82 HydrophobicContact CE1-CG2 3.92Å; Y70-A85 HydrophobicContact CD1-CB 3.99Å; Y70-L140 HydrophobicContact CD2-CD2 4.14Å; Y70-L140 HydrophobicContact CE2-CD2 4.05Å; Y70-E143 WeakPolarHBondContact CE2-OE2 3.41Å; Y70-E143 PolarHBondContact OH-OE1 3.39Å
71	K	95.5	Very high	93.8	Very high	80 Å²	80	69.3 Å²	69.3	35%	0.348	34%	0.338	S	S	.	.	H	α-helix	trans	-59.8	-33.4	176.8	178.1	57.7	-168.7	163.3	0	113.7	V67 L68 Q73 A85 D86 H89	V67-K71 PolarHBondContact O-N 2.76Å; L68-K71 WeakPolarHBondContact O-CB 3.33Å; L68-K71 PolarHBondContact O-N 3.06Å; K71-Q73 PolarHBondContact O-N 2.65Å; K71-A85 HydrophobicContact CB-CB 3.98Å; K71-D86 WeakPolarHBondContact CD-OD1 3.48Å; K71-D86 WeakPolarHBondContact CE-OD1 3.4Å; K71-D86 IonicContact NZ-OD1 3.39Å; K71-D86 PolarHBondContact NZ-OD1 2.99Å; K71-H89 HydrophobicContact CG-CB 3.85Å
72	S	92.1	Very high	93.9	Very high	98 Å²	98	63.3 Å²	63.3	69%	0.685	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-9.8	-177.2	67.2	0	0	0	0	113.6	L68 A69 Y70	L68-S72 PolarHBondContact O-N 3.14Å; A69-S72 PolarHBondContact O-OG 3.36Å; Y70-S72 VanDerWaalsContact C-N 3.28Å; Y70-S72 PolarHBondContact O-N 2.98Å
73	Q	90.1	Very high	93.9	Very high	86 Å²	86	62.7 Å²	62.7	40%	0.402	31%	0.313	S	S	.	.	S	Bend	trans	-90.7	142	-179.3	-60.9	177.8	36.4	0	0	111.6	A69 Y70 K71 R75	A69-Q73 PolarHBondContact O-NE2 2.96Å; Y70-Q73 PolarHBondContact O-N 2.82Å; K71-Q73 PolarHBondContact O-N 2.65Å; Q73-R75 PolarHBondContact O-N 3.39Å
74	P	83.4	Confident	93.9	Very high	125 Å²	125	62.7 Å²	62.7	81%	0.812	31%	0.313	S	S	*	.			trans	-70.1	119.5	177.7	27.9	-33.1	0	0	0	110.7
75	R	83.9	Confident	93.9	Very high	85 Å²	85	61.2 Å²	61.2	32%	0.321	31%	0.308	S	S	.	.			trans	-125.3	139.4	175.9	-61.6	-60.7	-170.8	-142.7	11.4	110.4	Y70 Q73 T82 E143 E147	Y70-R75 HydrophobicContact CE1-CG 4.44Å; Q73-R75 PolarHBondContact O-N 3.39Å; R75-T82 HydrophobicContact CB-CG2 4.41Å; R75-E143 IonicContact CZ-OE1 2.8Å; R75-E143 IonicContact CZ-OE2 3.42Å; R75-E143 VanDerWaalsContact CZ-OE2 3.31Å; R75-E143 IonicContact NE-OE1 3.99Å; R75-E143 PolarHBondContact NE-OE1 2.99Å; R75-E143 IonicContact NE-OE2 3.37Å; R75-E143 PolarHBondContact NE-OE2 3.41Å; R75-E143 IonicContact NH2-OE2 2.67Å; R75-E143 PolarHBondContact NH2-OE2 3.06Å; R75-E147 IonicContact NH1-OE1 3.77Å
76	K	73.9	Confident	93.9	Very high	224 Å²	224	59 Å²	59	97%	0.974	30%	0.299	S	S	*	.			trans	-96.7	-27.2	-177.8	-66.9	-173.4	179.6	-178	0	113.6
77	K	90	Very high	93.9	Very high	181 Å²	181	55.7 Å²	55.7	79%	0.787	29%	0.285	S	S	*	.	S	Bend	trans	-110.2	127	-173.3	-171.8	178.4	178.3	-174	0	110
78	E	93.3	Very high	93.9	Very high	91 Å²	91	55.8 Å²	55.8	43%	0.425	29%	0.285	S	S	.	.			trans	-74.7	129.2	173.2	-171	-175.8	87.4	0	0	110.3	T82 R109	E78-T82 WeakPolarHBondContact CA-OG1 3.49Å; E78-R109 PolarHBondContact O-NH1 2.75Å; E78-R109 IonicContact OE1-CZ 3.43Å; E78-R109 IonicContact OE1-NE 3.24Å; E78-R109 PolarHBondContact OE1-NE 3.3Å; E78-R109 IonicContact OE1-NH2 2.89Å; E78-R109 PolarHBondContact OE1-NH2 2.89Å
79	S	95.9	Very high	93.9	Very high	15 Å²	15	57.1 Å²	57.1	11%	0.105	29%	0.29	C	S	.	.			trans	-136.4	170.6	176.2	67.6	0	0	0	0	110.7	L81 T82 C83	S79-L81 VanDerWaalsContact C-N 3.25Å; S79-L81 PolarHBondContact O-N 3.35Å; S79-T82 PolarHBondContact N-OG1 3.3Å; S79-T82 PolarHBondContact O-N 2.88Å; S79-T82 VanDerWaalsContact O-N 3.1Å; S79-T82 PolarHBondContact O-OG1 3.44Å; S79-T82 PolarHBondContact OG-N 2.88Å; S79-C83 PolarHBondContact O-N 3.22Å
80	L	97.2	Very high	93.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-52.9	-42	173.3	-166.4	64.4	0	0	0	112.9	C83 L84 F106 R109 L110 E113 Y131 L132 T135	L80-C83 PolarHBondContact O-N 3.14Å; L80-L84 WeakPolarHBondContact O-CB 3.34Å; L80-L84 PolarHBondContact O-N 3.19Å; L80-F106 HydrophobicContact CD1-CD2 3.95Å; L80-F106 HydrophobicContact CD1-CE1 4.43Å; L80-F106 HydrophobicContact CD1-CE2 3.5Å; L80-F106 VanDerWaalsContact CD1-CE2 3.5Å; L80-F106 HydrophobicContact CD1-CZ 3.78Å; L80-F106 HydrophobicContact CG-CE2 3.84Å; L80-F106 HydrophobicContact CG-CZ 4.23Å; L80-R109 HydrophobicContact CB-CG 4.27Å; L80-R109 HydrophobicContact CD1-CB 4.45Å; L80-R109 HydrophobicContact CD1-CG 4Å; L80-L110 HydrophobicContact CD1-CB 4.03Å; L80-E113 WeakPolarHBondContact CB-OE2 3.39Å; L80-E113 PolarHBondContact N-OE2 3.49Å; L80-Y131 HydrophobicContact CD2-CE1 3.75Å; L80-L132 HydrophobicContact CD2-CD1 3.68Å; L80-L132 HydrophobicContact CG-CD1 4.11Å; L80-T135 HydrophobicContact CB-CG2 4.37Å; L80-T135 HydrophobicContact CD2-CG2 4Å
81	L	98	Very high	94	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-41	177.1	178.3	55.8	0	0	0	112.3	Y70 S79 C83 L84 A85 I136 I139 L140 W171	Y70-L81 HydrophobicContact CD1-CD1 4.32Å; Y70-L81 HydrophobicContact CD1-CD2 4.08Å; Y70-L81 HydrophobicContact CD1-CG 3.8Å; Y70-L81 HydrophobicContact CD2-CD2 3.84Å; Y70-L81 HydrophobicContact CD2-CG 4.46Å; Y70-L81 HydrophobicContact CE1-CB 4.42Å; Y70-L81 HydrophobicContact CE1-CD2 3.78Å; Y70-L81 HydrophobicContact CE1-CG 3.57Å; Y70-L81 HydrophobicContact CE2-CD2 3.51Å; Y70-L81 HydrophobicContact CE2-CG 4.26Å; Y70-L81 HydrophobicContact CG-CD2 4.11Å; Y70-L81 HydrophobicContact CG-CG 4.25Å; Y70-L81 VanDerWaalsContact CZ-CD2 3.48Å; S79-L81 VanDerWaalsContact C-N 3.25Å; S79-L81 PolarHBondContact O-N 3.35Å; L81-C83 VanDerWaalsContact C-N 3.33Å; L81-C83 PolarHBondContact O-N 2.87Å; L81-L84 PolarHBondContact O-N 2.91Å; L81-A85 VanDerWaalsContact O-CB 3.27Å; L81-A85 WeakPolarHBondContact O-CB 3.41Å; L81-A85 PolarHBondContact O-N 2.87Å; L81-I136 HydrophobicContact CB-CG1 4.36Å; L81-I136 HydrophobicContact CD1-CD1 4.34Å; L81-I136 HydrophobicContact CD1-CG1 4.13Å; L81-I136 HydrophobicContact CD1-CG2 3.92Å; L81-I136 HydrophobicContact CD2-CG2 4.08Å; L81-I136 HydrophobicContact CG-CG2 4.47Å; L81-I139 HydrophobicContact CB-CD1 3.93Å; L81-I139 HydrophobicContact CB-CG2 4.41Å; L81-I139 HydrophobicContact CD2-CG2 4.09Å; L81-L140 HydrophobicContact CD2-CD2 3.92Å; L81-L140 HydrophobicContact CD2-CG 4.14Å; L81-W171 HydrophobicContact CD1-CH2 4.37Å; L81-W171 HydrophobicContact CD1-CZ2 4.26Å; L81-W171 HydrophobicContact CD2-CZ2 4.42Å
82	T	97.5	Very high	94	Very high	17 Å²	17	54.2 Å²	54.2	10%	0.104	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-37.5	175.6	61	0	0	0	0	112.1	Y70 R75 E78 S79 A85 D86	Y70-T82 HydrophobicContact CE1-CG2 3.92Å; R75-T82 HydrophobicContact CB-CG2 4.41Å; E78-T82 WeakPolarHBondContact CA-OG1 3.49Å; S79-T82 PolarHBondContact N-OG1 3.3Å; S79-T82 PolarHBondContact O-N 2.88Å; S79-T82 VanDerWaalsContact O-N 3.1Å; S79-T82 PolarHBondContact O-OG1 3.44Å; S79-T82 PolarHBondContact OG-N 2.88Å; T82-A85 PolarHBondContact O-N 2.96Å; T82-D86 WeakPolarHBondContact O-CB 3.26Å; T82-D86 PolarHBondContact O-N 3.27Å
83	C	98	Very high	94.2	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.02	27%	0.271	C	S	.	.	H	α-helix	trans	-68.9	-36.7	175.7	-65.5	0	0	0	0	112.1	S79 L80 L81 L87 F106 R109	S79-C83 PolarHBondContact O-N 3.22Å; L80-C83 PolarHBondContact O-N 3.14Å; L81-C83 VanDerWaalsContact C-N 3.33Å; L81-C83 PolarHBondContact O-N 2.87Å; C83-L87 WeakPolarHBondContact O-CB 3.11Å; C83-L87 PolarHBondContact O-N 3.01Å; C83-F106 HydrophobicContact CB-CB 4.28Å; C83-F106 HydrophobicContact CB-CD2 4.15Å; C83-R109 HydrophobicContact CB-CB 4.41Å; C83-R109 HydrophobicContact CB-CG 4.44Å
84	L	98.5	Very high	94.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-45.1	173.2	-177.6	62.8	0	0	0	111	L54 F63 V67 L80 L81 D86 L87 F88 F106 I136	L54-L84 HydrophobicContact CD2-CD1 3.43Å; L54-L84 VanDerWaalsContact CD2-CD1 3.43Å; F63-L84 HydrophobicContact CE1-CD2 4.11Å; F63-L84 HydrophobicContact CZ-CD2 3.96Å; V67-L84 HydrophobicContact CG1-CG 4.24Å; V67-L84 HydrophobicContact CG2-CD2 4.29Å; L80-L84 WeakPolarHBondContact O-CB 3.34Å; L80-L84 PolarHBondContact O-N 3.19Å; L81-L84 PolarHBondContact O-N 2.91Å; L84-D86 VanDerWaalsContact C-N 3.35Å; L84-D86 PolarHBondContact O-N 3.31Å; L84-L87 WeakPolarHBondContact O-CB 3.04Å; L84-L87 PolarHBondContact O-N 2.97Å; L84-L87 VanDerWaalsContact O-N 3.16Å; L84-F88 HydrophobicContact CD1-CD1 3.85Å; L84-F88 HydrophobicContact CD1-CE1 3.54Å; L84-F88 HydrophobicContact CD1-CZ 4.08Å; L84-F88 HydrophobicContact CG-CD1 4.41Å; L84-F88 HydrophobicContact CG-CE1 4.36Å; L84-F88 PolarHBondContact O-N 3.09Å; L84-F106 HydrophobicContact CB-CD2 4.07Å; L84-F106 HydrophobicContact CB-CE2 3.87Å; L84-F106 HydrophobicContact CD1-CD2 4.42Å; L84-F106 HydrophobicContact CD1-CE2 4.05Å; L84-F106 HydrophobicContact CG-CE2 4.49Å; L84-I136 HydrophobicContact CD2-CD1 3.58Å
85	A	98.3	Very high	94.9	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-40.6	178.3	0	0	0	0	0	112	V67 Y70 K71 L81 T82 H89	V67-A85 HydrophobicContact CG1-CB 4.05Å; Y70-A85 HydrophobicContact CD1-CB 3.99Å; K71-A85 HydrophobicContact CB-CB 3.98Å; L81-A85 VanDerWaalsContact O-CB 3.27Å; L81-A85 WeakPolarHBondContact O-CB 3.41Å; L81-A85 PolarHBondContact O-N 2.87Å; T82-A85 PolarHBondContact O-N 2.96Å; A85-H89 WeakPolarHBondContact O-CB 3.45Å; A85-H89 PolarHBondContact O-N 3.43Å
86	D	97.8	Very high	95.3	Very high	50 Å²	50	59.6 Å²	59.6	27%	0.267	29%	0.287	S	S	.	.	H	α-helix	trans	-61.7	-42.8	171.3	-80.8	-8.6	0	0	0	112	K71 T82 L84 S90	K71-D86 WeakPolarHBondContact CD-OD1 3.48Å; K71-D86 WeakPolarHBondContact CE-OD1 3.4Å; K71-D86 IonicContact NZ-OD1 3.39Å; K71-D86 PolarHBondContact NZ-OD1 2.99Å; T82-D86 WeakPolarHBondContact O-CB 3.26Å; T82-D86 PolarHBondContact O-N 3.27Å; L84-D86 VanDerWaalsContact C-N 3.35Å; L84-D86 PolarHBondContact O-N 3.31Å; D86-S90 VanDerWaalsContact O-CB 3.22Å; D86-S90 WeakPolarHBondContact O-CB 3.38Å; D86-S90 PolarHBondContact O-N 2.98Å
87	L	98.5	Very high	96.2	Very high	12 Å²	12	52 Å²	52	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-51.2	178	176.7	61.4	0	0	0	111.5	L41 L54 C83 L84 H89 S90 I91 I101 P103	L41-L87 HydrophobicContact CD2-CD1 4.09Å; L54-L87 HydrophobicContact CD1-CD2 3.86Å; C83-L87 WeakPolarHBondContact O-CB 3.11Å; C83-L87 PolarHBondContact O-N 3.01Å; L84-L87 WeakPolarHBondContact O-CB 3.04Å; L84-L87 PolarHBondContact O-N 2.97Å; L84-L87 VanDerWaalsContact O-N 3.16Å; L87-H89 VanDerWaalsContact C-N 3.32Å; L87-H89 PolarHBondContact O-N 3.32Å; L87-S90 WeakPolarHBondContact O-CA 3.46Å; L87-S90 WeakPolarHBondContact O-CB 3.4Å; L87-S90 PolarHBondContact O-N 3.33Å; L87-S90 VanDerWaalsContact O-N 3.1Å; L87-I91 HydrophobicContact CD1-CD1 4.43Å; L87-I91 HydrophobicContact CG-CD1 4.34Å; L87-I91 WeakPolarHBondContact O-CG1 3.46Å; L87-I91 PolarHBondContact O-N 3.4Å; L87-I101 HydrophobicContact CD1-CG2 3.69Å; L87-P103 HydrophobicContact CD1-CB 4.19Å; L87-P103 HydrophobicContact CD2-CB 3.94Å
88	F	98.4	Very high	96.4	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-41.1	-179.5	-84.9	27.5	0	0	0	111.6	L57 Y58 F63 R64 V67 L68 L84 I91 A92	L57-F88 HydrophobicContact CB-CZ 4.28Å; Y58-F88 HydrophobicContact CD2-CB 4.23Å; Y58-F88 AromaticContact CD2-CD1 3.77Å; Y58-F88 HydrophobicContact CD2-CD1 3.77Å; Y58-F88 AromaticContact CD2-CD2 3.75Å; Y58-F88 HydrophobicContact CD2-CD2 3.75Å; Y58-F88 AromaticContact CD2-CE1 3.95Å; Y58-F88 HydrophobicContact CD2-CE1 3.95Å; Y58-F88 AromaticContact CD2-CE2 3.95Å; Y58-F88 HydrophobicContact CD2-CE2 3.95Å; Y58-F88 AromaticContact CD2-CG 3.66Å; Y58-F88 HydrophobicContact CD2-CG 3.66Å; Y58-F88 HydrophobicContact CD2-CZ 4.04Å; Y58-F88 HydrophobicContact CE2-CB 4.2Å; Y58-F88 HydrophobicContact CE2-CD2 4.36Å; Y58-F88 HydrophobicContact CE2-CG 4.13Å; Y58-F88 HydrophobicContact CG-CZ 4.45Å; F63-F88 AromaticContact CD1-CE2 3.9Å; F63-F88 HydrophobicContact CD1-CE2 3.9Å; F63-F88 HydrophobicContact CD1-CZ 4.35Å; F63-F88 AromaticContact CE1-CE2 3.9Å; F63-F88 HydrophobicContact CE1-CE2 3.9Å; F63-F88 HydrophobicContact CE1-CZ 4.08Å; R64-F88 HydrophobicContact CB-CD2 4.47Å; R64-F88 HydrophobicContact CB-CE2 4.44Å; R64-F88 HydrophobicContact CG-CD2 4.32Å; V67-F88 HydrophobicContact CB-CD2 3.81Å; V67-F88 HydrophobicContact CB-CE2 4.33Å; V67-F88 HydrophobicContact CG1-CB 3.87Å; V67-F88 HydrophobicContact CG1-CD2 3.53Å; V67-F88 HydrophobicContact CG1-CE2 4.29Å; V67-F88 HydrophobicContact CG1-CG 3.83Å; V67-F88 HydrophobicContact CG2-CD2 4.34Å; V67-F88 HydrophobicContact CG2-CE2 4.39Å; L68-F88 HydrophobicContact CD2-CB 4.17Å; L84-F88 HydrophobicContact CD1-CD1 3.85Å; L84-F88 HydrophobicContact CD1-CE1 3.54Å; L84-F88 HydrophobicContact CD1-CZ 4.08Å; L84-F88 HydrophobicContact CG-CD1 4.41Å; L84-F88 HydrophobicContact CG-CE1 4.36Å; L84-F88 PolarHBondContact O-N 3.09Å; F88-I91 PolarHBondContact O-N 3.32Å; F88-A92 WeakPolarHBondContact O-CB 3.39Å; F88-A92 PolarHBondContact O-N 3.19Å
89	H	97.7	Very high	96.5	Very high	77 Å²	77	41.5 Å²	41.5	36%	0.356	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-44.3	172.8	-177.4	75.4	0	0	0	111.3	L68 K71 A85 L87 I91 A92 T93	L68-H89 HydrophobicContact CD2-CB 4.09Å; K71-H89 HydrophobicContact CG-CB 3.85Å; A85-H89 WeakPolarHBondContact O-CB 3.45Å; A85-H89 PolarHBondContact O-N 3.43Å; L87-H89 VanDerWaalsContact C-N 3.32Å; L87-H89 PolarHBondContact O-N 3.32Å; H89-I91 VanDerWaalsContact C-N 3.28Å; H89-I91 PolarHBondContact O-N 3.42Å; H89-A92 PolarHBondContact O-N 2.98Å; H89-A92 VanDerWaalsContact O-N 3.14Å; H89-T93 VanDerWaalsContact CE1-CG2 3.47Å; H89-T93 WeakPolarHBondContact CE1-CG2 3.43Å; H89-T93 WeakPolarHBondContact O-CG2 3.38Å; H89-T93 PolarHBondContact O-N 3.19Å; H89-T93 PolarHBondContact O-OG1 3.27Å
90	S	97.5	Very high	96.6	Very high	42 Å²	42	44 Å²	44	29%	0.294	23%	0.231	S	C	.	.	H	α-helix	trans	-59.2	-37.4	177.4	-173.7	0	0	0	0	112.5	D86 L87 Q94	D86-S90 VanDerWaalsContact O-CB 3.22Å; D86-S90 WeakPolarHBondContact O-CB 3.38Å; D86-S90 PolarHBondContact O-N 2.98Å; L87-S90 WeakPolarHBondContact O-CA 3.46Å; L87-S90 WeakPolarHBondContact O-CB 3.4Å; L87-S90 PolarHBondContact O-N 3.33Å; L87-S90 VanDerWaalsContact O-N 3.1Å; S90-Q94 WeakPolarHBondContact O-CG 3.29Å; S90-Q94 PolarHBondContact O-NE2 3.26Å; S90-Q94 PolarHBondContact OG-NE2 3.17Å
91	I	97.6	Very high	96.6	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-66.9	-50.6	173	-61.1	162.2	0	0	0	110.1	H37 F39 Y58 L87 F88 H89 T93 Q94 I101	H37-I91 HydrophobicContact CB-CG2 4.33Å; H37-I91 VanDerWaalsContact CB-O 3.3Å; H37-I91 WeakPolarHBondContact CB-O 3.37Å; F39-I91 HydrophobicContact CB-CG2 4.42Å; Y58-I91 HydrophobicContact CD2-CD1 4.06Å; Y58-I91 HydrophobicContact CE1-CG2 3.82Å; Y58-I91 HydrophobicContact CE2-CB 3.92Å; Y58-I91 HydrophobicContact CE2-CD1 4.12Å; Y58-I91 HydrophobicContact CE2-CG2 3.94Å; Y58-I91 HydrophobicContact CG-CD1 4.49Å; Y58-I91 VanDerWaalsContact CZ-CG2 3.44Å; Y58-I91 WeakPolarHBondContact OH-CG2 3.45Å; L87-I91 HydrophobicContact CD1-CD1 4.43Å; L87-I91 HydrophobicContact CG-CD1 4.34Å; L87-I91 WeakPolarHBondContact O-CG1 3.46Å; L87-I91 PolarHBondContact O-N 3.4Å; F88-I91 PolarHBondContact O-N 3.32Å; H89-I91 VanDerWaalsContact C-N 3.28Å; H89-I91 PolarHBondContact O-N 3.42Å; I91-T93 VanDerWaalsContact C-N 3.26Å; I91-T93 PolarHBondContact O-N 2.9Å; I91-Q94 PolarHBondContact O-N 3.39Å; I91-I101 HydrophobicContact CB-CD1 4.19Å; I91-I101 HydrophobicContact CG1-CD1 3.64Å
92	A	96.7	Very high	96.7	Very high	28 Å²	28	48.1 Å²	48.1	23%	0.231	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-20.6	-173.4	0	0	0	0	0	114.8	H37 Y58 L68 F88 H89	H37-A92 PolarHBondContact CE1-O 3.02Å; H37-A92 PolarHBondContact ND1-O 2.84Å; Y58-A92 PolarHBondContact OH-N 2.94Å; L68-A92 HydrophobicContact CD1-CB 4.25Å; L68-A92 HydrophobicContact CD2-CB 4.16Å; F88-A92 WeakPolarHBondContact O-CB 3.39Å; F88-A92 PolarHBondContact O-N 3.19Å; H89-A92 PolarHBondContact O-N 2.98Å; H89-A92 VanDerWaalsContact O-N 3.14Å
93	T	95.9	Very high	96.7	Very high	80 Å²	80	47.5 Å²	47.5	49%	0.491	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	15.2	-176.8	67.8	0	0	0	0	113.9	H89 I91	H89-T93 VanDerWaalsContact CE1-CG2 3.47Å; H89-T93 WeakPolarHBondContact CE1-CG2 3.43Å; H89-T93 WeakPolarHBondContact O-CG2 3.38Å; H89-T93 PolarHBondContact O-N 3.19Å; H89-T93 PolarHBondContact O-OG1 3.27Å; I91-T93 VanDerWaalsContact C-N 3.26Å; I91-T93 PolarHBondContact O-N 2.9Å
94	Q	95.3	Very high	96.7	Very high	62 Å²	62	53.8 Å²	53.8	29%	0.29	28%	0.28	S	S	.	.			trans	-60.4	146.1	175.6	-73.3	-60.6	-34.3	0	0	111.2	H37 F39 S90 I91 K96 I101	H37-Q94 PolarHBondContact NE2-O 3.15Å; F39-Q94 HydrophobicContact CD1-CG 4.15Å; F39-Q94 HydrophobicContact CD2-CB 4.46Å; F39-Q94 HydrophobicContact CD2-CG 4.17Å; F39-Q94 HydrophobicContact CE1-CB 4.14Å; F39-Q94 HydrophobicContact CE1-CG 3.62Å; F39-Q94 HydrophobicContact CE2-CB 3.57Å; F39-Q94 HydrophobicContact CE2-CG 3.66Å; F39-Q94 HydrophobicContact CG-CG 4.41Å; F39-Q94 HydrophobicContact CZ-CB 3.39Å; F39-Q94 HydrophobicContact CZ-CG 3.37Å; S90-Q94 WeakPolarHBondContact O-CG 3.29Å; S90-Q94 PolarHBondContact O-NE2 3.26Å; S90-Q94 PolarHBondContact OG-NE2 3.17Å; I91-Q94 PolarHBondContact O-N 3.39Å; Q94-K96 WeakPolarHBondContact CB-O 3.42Å; Q94-I101 HydrophobicContact CG-CD1 3.91Å
95	K	92.5	Very high	96.6	Very high	211 Å²	211	60.2 Å²	60.2	92%	0.917	31%	0.308	S	S	*	.	S	Bend	trans	-74.3	-33.4	174.6	-67.9	-174.9	178.1	-178	0	112.2
96	K	92.2	Very high	96.6	Very high	154 Å²	154	60.3 Å²	60.3	67%	0.67	31%	0.308	S	S	*	.	S	Bend	trans	-91.1	147.9	175.6	-66.2	-178.2	177.2	-176.5	0	108.4	H37 F39 Q94	H37-K96 PolarHBondContact CD2-O 2.83Å; F39-K96 WeakPolarHBondContact CE2-O 3.39Å; F39-K96 HydrophobicContact CZ-CB 4.31Å; F39-K96 WeakPolarHBondContact CZ-O 3.36Å; Q94-K96 WeakPolarHBondContact CB-O 3.42Å
97	K	92.7	Very high	96.6	Very high	64 Å²	64	58.1 Å²	58.1	28%	0.278	30%	0.296	S	S	.	.	S	Bend	trans	-78.6	-24.7	177.8	-74.5	-174.8	161.4	-152.7	0	113.8	F32 H37 Y38	F32-K97 HydrophobicContact CD1-CD 3.72Å; F32-K97 HydrophobicContact CE1-CB 3.84Å; F32-K97 HydrophobicContact CE1-CD 3.53Å; F32-K97 HydrophobicContact CE1-CG 3.97Å; F32-K97 HydrophobicContact CE2-CB 4.33Å; F32-K97 HydrophobicContact CG-CD 4.44Å; F32-K97 HydrophobicContact CZ-CB 3.6Å; F32-K97 HydrophobicContact CZ-CD 4.06Å; F32-K97 HydrophobicContact CZ-CG 4.25Å; H37-K97 CarbonylContact C-O 3.31Å; H37-K97 WeakPolarHBondContact CA-O 3.38Å; Y38-K97 PolarHBondContact N-O 2.62Å
98	V	94.4	Very high	96.5	Very high	26 Å²	26	61.6 Å²	61.6	16%	0.158	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.4	-179.7	-179.2	0	0	0	0	110.5	S21 L23 E24 F32 Y38	S21-V98 WeakPolarHBondContact OG-CB 3.44Å; L23-V98 HydrophobicContact CB-CG1 4.29Å; L23-V98 HydrophobicContact CB-CG2 4.42Å; L23-V98 HydrophobicContact CD2-CG1 4.05Å; L23-V98 HydrophobicContact CD2-CG2 4.05Å; L23-V98 HydrophobicContact CG-CG2 4.47Å; E24-V98 HydrophobicContact CG-CG2 3.72Å; F32-V98 HydrophobicContact CE2-CG2 4.03Å; F32-V98 HydrophobicContact CZ-CG2 4.26Å; Y38-V98 VanDerWaalsContact O-CA 3.32Å; Y38-V98 WeakPolarHBondContact O-CA 3.28Å
99	G	96	Very high	96.5	Very high	26 Å²	26	63.2 Å²	63.2	27%	0.268	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.1	-152.9	175.5	0	0	0	0	0	113.7	Y38 F39 G40	Y38-G99 PolarHBondContact O-N 2.69Å; F39-G99 CarbonylContact C-O 3.59Å; F39-G99 VanDerWaalsContact CA-O 3.25Å; F39-G99 WeakPolarHBondContact CA-O 3.42Å; F39-G99 VanDerWaalsContact CE1-CA 3.47Å; G40-G99 PolarHBondContact N-O 3.02Å
100	V	97.9	Very high	96.5	Very high	67 Å²	67	59.6 Å²	59.6	41%	0.406	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136	-179.2	-174.2	0	0	0	0	109.7	G40 V42 D334	G40-V100 CarbonylContact O-C 3.51Å; G40-V100 WeakPolarHBondContact O-CA 3.39Å; V42-V100 HydrophobicContact CG2-CG1 3.57Å; V100-D334 HydrophobicContact CB-CB 4.49Å; V100-D334 HydrophobicContact CG1-CB 3.62Å; V100-D334 HydrophobicContact CG2-CB 4Å; V100-D334 WeakPolarHBondContact CG2-O 3.45Å
101	I	98.2	Very high	96.4	Very high	9 Å²	9	59.2 Å²	59.2	5%	0.046	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.1	176.2	-75.9	163.5	0	0	0	110	F39 G40 L41 V42 L87 I91 Q94 P103	F39-I101 HydrophobicContact CB-CD1 3.99Å; F39-I101 HydrophobicContact CB-CG1 4.37Å; F39-I101 HydrophobicContact CD1-CD1 3.74Å; F39-I101 HydrophobicContact CD1-CG1 3.71Å; F39-I101 HydrophobicContact CE1-CD1 4.46Å; F39-I101 HydrophobicContact CE1-CG1 4.43Å; F39-I101 HydrophobicContact CG-CD1 3.88Å; F39-I101 HydrophobicContact CG-CG1 4.28Å; G40-I101 PolarHBondContact O-N 2.74Å; L41-I101 WeakPolarHBondContact CA-O 3.45Å; L41-I101 HydrophobicContact CD2-CB 4.37Å; L41-I101 HydrophobicContact CD2-CG2 4.45Å; V42-I101 PolarHBondContact N-O 3.22Å; V42-I101 VanDerWaalsContact N-O 3.14Å; L87-I101 HydrophobicContact CD1-CG2 3.69Å; I91-I101 HydrophobicContact CB-CD1 4.19Å; I91-I101 HydrophobicContact CG1-CD1 3.64Å; Q94-I101 HydrophobicContact CG-CD1 3.91Å; I101-P103 WeakPolarHBondContact O-CD 3.35Å
102	P	98.2	Very high	96.4	Very high	78 Å²	78	66.5 Å²	66.5	51%	0.506	33%	0.332	S	S	.	.			trans	-82	113.2	171	28.7	-30.3	0	0	0	111.6	V42 F44 K104	V42-P102 HydrophobicContact CB-CB 4.31Å; V42-P102 HydrophobicContact CG2-CB 3.99Å; F44-P102 HydrophobicContact CE2-CB 3.93Å; F44-P102 HydrophobicContact CZ-CB 3.72Å; P102-K104 PolarHBondContact O-N 2.94Å
103	P	98	Very high	96.3	Very high	4 Å²	4	68.6 Å²	68.6	3%	0.026	34%	0.336	C	S	.	.			trans	-73.1	33.1	174.3	32.3	-39.4	0	0	0	113.9	L41 F44 L87 I101 K105 F106 I107	L41-P103 HydrophobicContact CB-CG 4.27Å; L41-P103 HydrophobicContact CD2-CG 4.44Å; F44-P103 HydrophobicContact CD2-CG 4.15Å; F44-P103 HydrophobicContact CE2-CG 4.14Å; L87-P103 HydrophobicContact CD1-CB 4.19Å; L87-P103 HydrophobicContact CD2-CB 3.94Å; I101-P103 WeakPolarHBondContact O-CD 3.35Å; P103-K105 PolarHBondContact O-N 2.94Å; P103-F106 WeakPolarHBondContact O-CB 3.44Å; P103-F106 PolarHBondContact O-N 2.8Å; P103-F106 VanDerWaalsContact O-N 3.09Å; P103-I107 HydrophobicContact CB-CG1 4.39Å; P103-I107 HydrophobicContact CG-CG1 4.2Å; P103-I107 WeakPolarHBondContact O-CG1 3.24Å; P103-I107 PolarHBondContact O-N 2.83Å
104	K	97.6	Very high	96.2	Very high	135 Å²	135	66.5 Å²	66.5	59%	0.587	32%	0.322	S	S	*	.	H	α-helix	trans	-53.8	-48.1	-169	-173.2	176.1	-179.4	176.5	0	113.3	F44 P102 I107 T108	F44-K104 HydrophobicContact CE1-CB 4.18Å; F44-K104 HydrophobicContact CE1-CD 4.49Å; F44-K104 HydrophobicContact CE1-CG 4.17Å; F44-K104 HydrophobicContact CE2-CB 4.15Å; F44-K104 HydrophobicContact CZ-CB 3.68Å; F44-K104 HydrophobicContact CZ-CG 4.17Å; P102-K104 PolarHBondContact O-N 2.94Å; K104-I107 PolarHBondContact O-N 3.05Å; K104-T108 WeakPolarHBondContact O-CB 3.37Å; K104-T108 PolarHBondContact O-N 3.06Å; K104-T108 PolarHBondContact O-OG1 3.14Å
105	K	97.4	Very high	96.1	Very high	135 Å²	135	71.9 Å²	71.9	59%	0.587	35%	0.347	S	S	*	.	H	α-helix	trans	-63.5	-43.1	-179.8	-74.1	-170.7	177	-173.4	0	111.9	P103 T108 R109	P103-K105 PolarHBondContact O-N 2.94Å; K105-T108 PolarHBondContact O-N 2.83Å; K105-R109 VanDerWaalsContact O-CB 3.26Å; K105-R109 WeakPolarHBondContact O-CB 3.17Å; K105-R109 PolarHBondContact O-N 2.77Å
106	F	98.4	Very high	96.1	Very high	2 Å²	2	65 Å²	65	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-62.7	-48	177.8	-178.5	-89.8	0	0	0	111.1	L54 L80 C83 L84 P103 T108 R109 L110 F128 L132	L54-F106 HydrophobicContact CD1-CD1 3.98Å; L54-F106 HydrophobicContact CD1-CE1 3.94Å; L54-F106 HydrophobicContact CD2-CE1 4.13Å; L54-F106 HydrophobicContact CD2-CE2 4.46Å; L54-F106 HydrophobicContact CD2-CZ 3.98Å; L54-F106 HydrophobicContact CG-CE1 4.44Å; L80-F106 HydrophobicContact CD1-CD2 3.95Å; L80-F106 HydrophobicContact CD1-CE1 4.43Å; L80-F106 HydrophobicContact CD1-CE2 3.5Å; L80-F106 VanDerWaalsContact CD1-CE2 3.5Å; L80-F106 HydrophobicContact CD1-CZ 3.78Å; L80-F106 HydrophobicContact CG-CE2 3.84Å; L80-F106 HydrophobicContact CG-CZ 4.23Å; C83-F106 HydrophobicContact CB-CB 4.28Å; C83-F106 HydrophobicContact CB-CD2 4.15Å; L84-F106 HydrophobicContact CB-CD2 4.07Å; L84-F106 HydrophobicContact CB-CE2 3.87Å; L84-F106 HydrophobicContact CD1-CD2 4.42Å; L84-F106 HydrophobicContact CD1-CE2 4.05Å; L84-F106 HydrophobicContact CG-CE2 4.49Å; P103-F106 WeakPolarHBondContact O-CB 3.44Å; P103-F106 PolarHBondContact O-N 2.8Å; P103-F106 VanDerWaalsContact O-N 3.09Å; F106-T108 PolarHBondContact O-N 2.57Å; F106-R109 PolarHBondContact O-N 3.26Å; F106-L110 HydrophobicContact CE1-CD2 4.4Å; F106-L110 WeakPolarHBondContact O-CB 3.31Å; F106-L110 PolarHBondContact O-N 3.24Å; F106-F128 HydrophobicContact CE1-CE2 4.28Å; F106-F128 AromaticContact CE1-CZ 3.87Å; F106-F128 HydrophobicContact CE1-CZ 3.87Å; F106-F128 HydrophobicContact CZ-CE2 4.39Å; F106-F128 AromaticContact CZ-CZ 3.98Å; F106-F128 HydrophobicContact CZ-CZ 3.98Å; F106-L132 HydrophobicContact CE2-CD1 4.2Å; F106-L132 HydrophobicContact CZ-CD1 3.93Å; F106-L132 HydrophobicContact CZ-CD2 4.49Å
107	I	97.7	Very high	96.2	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-44.7	178.3	-62.1	-61.4	0	0	0	111.7	F44 T47 C50 P103 K104 R109 L110 R111	F44-I107 HydrophobicContact CB-CG1 4.45Å; F44-I107 HydrophobicContact CB-CG2 4.15Å; F44-I107 HydrophobicContact CD2-CG1 4.2Å; T47-I107 HydrophobicContact CG2-CD1 4.13Å; T47-I107 HydrophobicContact CG2-CG2 4.32Å; C50-I107 HydrophobicContact CB-CD1 4.27Å; P103-I107 HydrophobicContact CB-CG1 4.39Å; P103-I107 HydrophobicContact CG-CG1 4.2Å; P103-I107 WeakPolarHBondContact O-CG1 3.24Å; P103-I107 PolarHBondContact O-N 2.83Å; K104-I107 PolarHBondContact O-N 3.05Å; I107-R109 VanDerWaalsContact C-N 3.27Å; I107-R109 PolarHBondContact O-N 2.84Å; I107-L110 PolarHBondContact O-N 2.9Å; I107-R111 WeakPolarHBondContact O-CG 3.49Å; I107-R111 PolarHBondContact O-N 2.88Å
108	T	97.2	Very high	96.3	Very high	86 Å²	86	59.2 Å²	59.2	53%	0.528	30%	0.3	S	S	.	.	H	α-helix	trans	-60.1	-40.1	176.1	-62	0	0	0	0	111.7	K104 K105 F106 K112	K104-T108 WeakPolarHBondContact O-CB 3.37Å; K104-T108 PolarHBondContact O-N 3.06Å; K104-T108 PolarHBondContact O-OG1 3.14Å; K105-T108 PolarHBondContact O-N 2.83Å; F106-T108 PolarHBondContact O-N 2.57Å; T108-K112 WeakPolarHBondContact O-CB 3.4Å; T108-K112 PolarHBondContact O-N 3.13Å; T108-K112 VanDerWaalsContact O-N 3.16Å
109	R	97.4	Very high	96.2	Very high	35 Å²	35	60.2 Å²	60.2	13%	0.132	30%	0.304	C	S	.	.	H	α-helix	trans	-69.4	-43.8	178.7	176.6	53.8	59.1	158.9	6.4	111.9	E78 L80 C83 K105 F106 I107 K112 E113	E78-R109 PolarHBondContact O-NH1 2.75Å; E78-R109 IonicContact OE1-CZ 3.43Å; E78-R109 IonicContact OE1-NE 3.24Å; E78-R109 PolarHBondContact OE1-NE 3.3Å; E78-R109 IonicContact OE1-NH2 2.89Å; E78-R109 PolarHBondContact OE1-NH2 2.89Å; L80-R109 HydrophobicContact CB-CG 4.27Å; L80-R109 HydrophobicContact CD1-CB 4.45Å; L80-R109 HydrophobicContact CD1-CG 4Å; C83-R109 HydrophobicContact CB-CB 4.41Å; C83-R109 HydrophobicContact CB-CG 4.44Å; K105-R109 VanDerWaalsContact O-CB 3.26Å; K105-R109 WeakPolarHBondContact O-CB 3.17Å; K105-R109 PolarHBondContact O-N 2.77Å; F106-R109 PolarHBondContact O-N 3.26Å; I107-R109 VanDerWaalsContact C-N 3.27Å; I107-R109 PolarHBondContact O-N 2.84Å; R109-K112 PolarHBondContact O-N 2.8Å; R109-E113 WeakPolarHBondContact CD-OE1 3.32Å; R109-E113 IonicContact CZ-OE1 3.97Å; R109-E113 IonicContact NE-OE1 2.68Å; R109-E113 IonicContact NH1-OE1 2.71Å; R109-E113 PolarHBondContact NH1-OE1 2.93Å; R109-E113 PolarHBondContact O-N 3.38Å
110	L	97.6	Very high	96	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-55.2	-52.9	174.5	173.8	61.9	0	0	0	111.5	L80 F106 I107 K112 E113 N114 F117 F128 Y131	L80-L110 HydrophobicContact CD1-CB 4.03Å; F106-L110 HydrophobicContact CE1-CD2 4.4Å; F106-L110 WeakPolarHBondContact O-CB 3.31Å; F106-L110 PolarHBondContact O-N 3.24Å; I107-L110 PolarHBondContact O-N 2.9Å; L110-K112 VanDerWaalsContact C-N 3.27Å; L110-K112 PolarHBondContact O-N 3.29Å; L110-E113 PolarHBondContact O-N 2.9Å; L110-E113 VanDerWaalsContact O-N 3.16Å; L110-N114 PolarHBondContact O-N 3.47Å; L110-N114 VanDerWaalsContact O-N 3.1Å; L110-F117 HydrophobicContact CD1-CB 4.16Å; L110-F117 HydrophobicContact CD1-CD2 3.78Å; L110-F117 HydrophobicContact CD1-CG 4.15Å; L110-F117 HydrophobicContact CD2-CB 4.29Å; L110-F117 HydrophobicContact CG-CB 3.95Å; L110-F117 HydrophobicContact CG-CD2 4.48Å; L110-F117 HydrophobicContact CG-CG 4.38Å; L110-F128 HydrophobicContact CD1-CD2 4.27Å; L110-F128 HydrophobicContact CD1-CE2 3.89Å; L110-F128 HydrophobicContact CD2-CD2 4.11Å; L110-F128 HydrophobicContact CD2-CE2 3.62Å; L110-F128 HydrophobicContact CD2-CZ 4.49Å; L110-F128 HydrophobicContact CG-CE2 4.4Å; L110-Y131 HydrophobicContact CD1-CD1 3.95Å; L110-Y131 HydrophobicContact CD1-CE1 3.44Å; L110-Y131 VanDerWaalsContact CD1-CE1 3.44Å
111	R	96.2	Very high	95.7	Very high	33 Å²	33	69.1 Å²	69.1	13%	0.125	33%	0.33	C	S	.	.	H	α-helix	trans	-58	-39.5	177.8	-73.4	-173.5	173.4	142.8	4.4	112.3	F44 I107 F117 D118 N119 Y120	F44-R111 PolarHBondContact O-NH2 3.31Å; I107-R111 WeakPolarHBondContact O-CG 3.49Å; I107-R111 PolarHBondContact O-N 2.88Å; R111-F117 WeakPolarHBondContact CG-O 3.28Å; R111-D118 HydrophobicContact CB-CB 4.43Å; R111-D118 VanDerWaalsContact O-CB 3.29Å; R111-D118 WeakPolarHBondContact O-CB 3.29Å; R111-N119 PolarHBondContact NE-O 3.5Å; R111-N119 PolarHBondContact NH2-O 2.91Å; R111-Y120 VanDerWaalsContact NH2-CD1 3.33Å
112	K	96.1	Very high	95.4	Very high	157 Å²	157	72 Å²	72	68%	0.683	34%	0.344	S	S	*	.	H	α-helix	trans	-70.3	-32	178.7	-176.7	176.5	177.1	-179.7	0	113.6	T108 R109 L110	T108-K112 WeakPolarHBondContact O-CB 3.4Å; T108-K112 PolarHBondContact O-N 3.13Å; T108-K112 VanDerWaalsContact O-N 3.16Å; R109-K112 PolarHBondContact O-N 2.8Å; L110-K112 VanDerWaalsContact C-N 3.27Å; L110-K112 PolarHBondContact O-N 3.29Å
113	E	94.9	Very high	95.2	Very high	71 Å²	71	69.8 Å²	69.8	33%	0.332	33%	0.327	S	S	.	.	H	α-helix	trans	-94.5	-13.4	-173.1	-72.2	-173.3	178.4	0	0	114	L80 R109 L110	L80-E113 WeakPolarHBondContact CB-OE2 3.39Å; L80-E113 PolarHBondContact N-OE2 3.49Å; R109-E113 WeakPolarHBondContact CD-OE1 3.32Å; R109-E113 IonicContact CZ-OE1 3.97Å; R109-E113 IonicContact NE-OE1 2.68Å; R109-E113 IonicContact NH1-OE1 2.71Å; R109-E113 PolarHBondContact NH1-OE1 2.93Å; R109-E113 PolarHBondContact O-N 3.38Å; L110-E113 PolarHBondContact O-N 2.9Å; L110-E113 VanDerWaalsContact O-N 3.16Å
114	N	94.5	Very high	95	Very high	36 Å²	36	71.5 Å²	71.5	19%	0.193	34%	0.336	C	S	.	.			trans	-147.2	115.8	176.4	-173.2	-14.5	0	0	0	112.5	L110 L116 F117 D118 Y131	L110-N114 PolarHBondContact O-N 3.47Å; L110-N114 VanDerWaalsContact O-N 3.1Å; N114-L116 PolarHBondContact O-N 3.27Å; N114-L116 WeakPolarHBondContact OD1-CB 3.44Å; N114-L116 PolarHBondContact OD1-N 2.87Å; N114-F117 HydrophobicContact CB-CD2 4.01Å; N114-F117 PolarHBondContact O-N 3.4Å; N114-D118 PolarHBondContact O-N 2.86Å; N114-D118 VanDerWaalsContact O-N 3.16Å; N114-Y131 HydrophobicContact CB-CD2 4.44Å; N114-Y131 HydrophobicContact CB-CE1 4.12Å; N114-Y131 HydrophobicContact CB-CE2 3.69Å; N114-Y131 WeakPolarHBondContact CB-OH 3.36Å; N114-Y131 WeakPolarHBondContact ND2-CD2 3.19Å; N114-Y131 WeakPolarHBondContact ND2-CE2 3.47Å
115	E	93.4	Very high	95	Very high	175 Å²	175	65.1 Å²	65.1	82%	0.818	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.4	179.7	-62.6	-176.8	173.2	0	0	113.1	F117 D118	E115-F117 PolarHBondContact O-N 3.28Å; E115-D118 PolarHBondContact O-N 3.41Å; E115-D118 VanDerWaalsContact O-N 3.15Å
116	L	92.8	Very high	95.1	Very high	66 Å²	66	59.8 Å²	59.8	35%	0.346	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-38.2	176.5	-180	71.3	0	0	0	111.8	N114 N119 Q123 E127	N114-L116 PolarHBondContact O-N 3.27Å; N114-L116 WeakPolarHBondContact OD1-CB 3.44Å; N114-L116 PolarHBondContact OD1-N 2.87Å; L116-N119 PolarHBondContact O-ND2 3Å; L116-Q123 PolarHBondContact O-NE2 3.25Å; L116-Q123 VanDerWaalsContact O-NE2 3.09Å; L116-E127 HydrophobicContact CD2-CG 3.84Å; L116-E127 WeakPolarHBondContact CD2-OE1 3.29Å
117	F	94.6	Very high	95	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-3.6	179.8	-58	-63	0	0	0	112.7	Y49 L110 R111 N114 E115 N119 Q123 E127 F128 Y131	Y49-F117 AromaticContact CE2-CD1 3.84Å; Y49-F117 HydrophobicContact CE2-CD1 3.84Å; Y49-F117 AromaticContact CE2-CE1 3.97Å; Y49-F117 HydrophobicContact CE2-CE1 3.97Å; Y49-F117 AromaticContact CZ-CD1 3.95Å; Y49-F117 WeakPolarHBondContact OH-CD1 3.45Å; L110-F117 HydrophobicContact CD1-CB 4.16Å; L110-F117 HydrophobicContact CD1-CD2 3.78Å; L110-F117 HydrophobicContact CD1-CG 4.15Å; L110-F117 HydrophobicContact CD2-CB 4.29Å; L110-F117 HydrophobicContact CG-CB 3.95Å; L110-F117 HydrophobicContact CG-CD2 4.48Å; L110-F117 HydrophobicContact CG-CG 4.38Å; R111-F117 WeakPolarHBondContact CG-O 3.28Å; N114-F117 HydrophobicContact CB-CD2 4.01Å; N114-F117 PolarHBondContact O-N 3.4Å; E115-F117 PolarHBondContact O-N 3.28Å; F117-N119 PolarHBondContact O-N 2.8Å; F117-Q123 HydrophobicContact CD1-CB 4.23Å; F117-Q123 HydrophobicContact CD1-CG 4.01Å; F117-Q123 HydrophobicContact CE1-CB 4.14Å; F117-Q123 HydrophobicContact CE1-CG 4.37Å; F117-E127 HydrophobicContact CZ-CG 4.34Å; F117-F128 HydrophobicContact CE1-CB 3.97Å; F117-F128 HydrophobicContact CE1-CD2 4.47Å; F117-F128 HydrophobicContact CE2-CD2 4.41Å; F117-F128 HydrophobicContact CZ-CB 3.92Å; F117-F128 HydrophobicContact CZ-CD2 4.3Å; F117-Y131 AromaticContact CD2-CD1 3.95Å; F117-Y131 HydrophobicContact CD2-CD1 3.95Å; F117-Y131 HydrophobicContact CD2-CE1 4.27Å; F117-Y131 HydrophobicContact CD2-CG 4.37Å; F117-Y131 AromaticContact CE2-CD1 3.56Å; F117-Y131 HydrophobicContact CE2-CD1 3.56Å; F117-Y131 HydrophobicContact CE2-CD2 4.47Å; F117-Y131 HydrophobicContact CE2-CE1 4.31Å; F117-Y131 AromaticContact CE2-CG 3.66Å; F117-Y131 HydrophobicContact CE2-CG 3.66Å
118	D	94.5	Very high	95	Very high	98 Å²	98	63.7 Å²	63.7	52%	0.524	30%	0.303	S	S	.	.	S	Bend	trans	-77.4	54.9	177.9	-164.8	17.7	0	0	0	112.9	R111 N114 E115	R111-D118 HydrophobicContact CB-CB 4.43Å; R111-D118 VanDerWaalsContact O-CB 3.29Å; R111-D118 WeakPolarHBondContact O-CB 3.29Å; N114-D118 PolarHBondContact O-N 2.86Å; N114-D118 VanDerWaalsContact O-N 3.16Å; E115-D118 PolarHBondContact O-N 3.41Å; E115-D118 VanDerWaalsContact O-N 3.15Å
119	N	92.5	Very high	95.1	Very high	46 Å²	46	59.6 Å²	59.6	25%	0.246	28%	0.278	C	S	.	.	S	Bend	trans	-155.6	-179.3	176.8	54.6	72.3	0	0	0	110.1	R111 L116 F117 M121 Q123	R111-N119 PolarHBondContact NE-O 3.5Å; R111-N119 PolarHBondContact NH2-O 2.91Å; L116-N119 PolarHBondContact O-ND2 3Å; F117-N119 PolarHBondContact O-N 2.8Å; N119-M121 HydrophobicContact CB-CG 4.25Å; N119-M121 VanDerWaalsContact OD1-CB 3.22Å; N119-M121 WeakPolarHBondContact OD1-CB 3.27Å; N119-M121 PolarHBondContact OD1-N 2.89Å; N119-Q123 PolarHBondContact ND2-NE2 3.12Å; N119-Q123 PolarHBondContact OD1-NE2 3.34Å
120	Y	91.7	Very high	95.1	Very high	151 Å²	151	59.7 Å²	59.7	59%	0.592	28%	0.281	S	S	*	.	S	Bend	trans	-109.8	22.6	174.8	-63.1	-90.3	0	0	0	110.9	N46 R111	N46-Y120 WeakPolarHBondContact CB-O 3.44Å; N46-Y120 PolarHBondContact ND2-O 3.43Å; R111-Y120 VanDerWaalsContact NH2-CD1 3.33Å
121	M	91.7	Very high	95.1	Very high	129 Å²	129	61.6 Å²	61.6	64%	0.635	29%	0.289	S	S	*	.	S	Bend	trans	-81.4	158.8	175.8	-55.9	-61.6	-72.6	0	0	109.7	N119	N119-M121 HydrophobicContact CB-CG 4.25Å; N119-M121 VanDerWaalsContact OD1-CB 3.22Å; N119-M121 WeakPolarHBondContact OD1-CB 3.27Å; N119-M121 PolarHBondContact OD1-N 2.89Å
122	Q	90.8	Very high	95.3	Very high	69 Å²	69	60 Å²	60	32%	0.322	28%	0.283	S	S	.	.			trans	-70.7	143.2	166.7	-61.5	-172.8	-5.1	0	0	109.1	N46 G316	N46-Q122 HydrophobicContact CB-CG 3.95Å; Q122-G316 VanDerWaalsContact CD-O 3.25Å; Q122-G316 PolarHBondContact NE2-O 3.32Å; Q122-G316 PolarHBondContact OE1-O 2.97Å; Q122-G316 VanDerWaalsContact OE1-O 3.14Å
123	Q	93.7	Very high	95.4	Very high	33 Å²	33	52.7 Å²	52.7	15%	0.154	25%	0.251	C	S	.	.			trans	-131.7	162.9	-174.1	-60.4	-68.5	-5.7	0	0	110.2	Y49 L116 F117 N119 Y318	Y49-Q123 WeakPolarHBondContact CB-O 3.39Å; Y49-Q123 HydrophobicContact CD1-CB 3.77Å; Y49-Q123 HydrophobicContact CD1-CG 4.36Å; Y49-Q123 HydrophobicContact CD2-CB 3.98Å; Y49-Q123 HydrophobicContact CE1-CB 3.68Å; Y49-Q123 HydrophobicContact CE1-CG 3.82Å; Y49-Q123 HydrophobicContact CE2-CB 3.93Å; Y49-Q123 HydrophobicContact CE2-CG 4.48Å; Y49-Q123 HydrophobicContact CG-CB 3.92Å; L116-Q123 PolarHBondContact O-NE2 3.25Å; L116-Q123 VanDerWaalsContact O-NE2 3.09Å; F117-Q123 HydrophobicContact CD1-CB 4.23Å; F117-Q123 HydrophobicContact CD1-CG 4.01Å; F117-Q123 HydrophobicContact CE1-CB 4.14Å; F117-Q123 HydrophobicContact CE1-CG 4.37Å; N119-Q123 PolarHBondContact ND2-NE2 3.12Å; N119-Q123 PolarHBondContact OD1-NE2 3.34Å; Q123-Y318 WeakPolarHBondContact O-CE2 3.47Å
124	D	95.1	Very high	95.5	Very high	40 Å²	40	52.6 Å²	52.6	21%	0.214	25%	0.253	C	S	.	.			trans	-77.6	126.5	177.1	-164.4	-51.2	0	0	0	110.9	H126 E127 F128 Y362	D124-H126 VanDerWaalsContact C-N 3.29Å; D124-H126 PolarHBondContact O-N 3.06Å; D124-H126 WeakPolarHBondContact OD1-CA 3.47Å; D124-H126 VanDerWaalsContact OD1-CB 3.3Å; D124-H126 WeakPolarHBondContact OD1-CB 3.45Å; D124-H126 PolarHBondContact OD1-N 2.96Å; D124-E127 HydrophobicContact CB-CB 3.89Å; D124-E127 PolarHBondContact O-N 3.26Å; D124-F128 PolarHBondContact O-N 2.91Å; D124-Y362 VanDerWaalsContact OD1-CE1 3.29Å; D124-Y362 WeakPolarHBondContact OD1-CE1 3.18Å; D124-Y362 PolarHBondContact OD1-OH 3.25Å; D124-Y362 PolarHBondContact OD2-OH 3.01Å
125	A	97.8	Very high	95.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.3	-31.7	178.9	0	0	0	0	0	112.6	V53 L129 V306 Y318 Y362 I363	V53-A125 HydrophobicContact CG2-CB 3.86Å; V53-A125 WeakPolarHBondContact CG2-O 3.39Å; A125-L129 WeakPolarHBondContact O-CB 3.34Å; A125-L129 PolarHBondContact O-N 2.87Å; A125-V306 HydrophobicContact CB-CG1 3.98Å; A125-Y318 HydrophobicContact CB-CD1 3.88Å; A125-Y318 HydrophobicContact CB-CE1 3.52Å; A125-Y318 HydrophobicContact CB-CE2 4.21Å; A125-Y318 HydrophobicContact CB-CG 4.35Å; A125-Y362 HydrophobicContact CB-CD1 4.39Å; A125-Y362 HydrophobicContact CB-CE1 4.38Å; A125-I363 HydrophobicContact CB-CD1 4.16Å
126	H	97.9	Very high	95.9	Very high	24 Å²	24	43.5 Å²	43.5	11%	0.111	21%	0.211	C	C	.	.	H	α-helix	trans	-72.7	-39.2	178.2	176.8	-111.6	0	0	0	111.4	D124 L129 N130 D201 S203 H258 Y362 I363	D124-H126 VanDerWaalsContact C-N 3.29Å; D124-H126 PolarHBondContact O-N 3.06Å; D124-H126 WeakPolarHBondContact OD1-CA 3.47Å; D124-H126 VanDerWaalsContact OD1-CB 3.3Å; D124-H126 WeakPolarHBondContact OD1-CB 3.45Å; D124-H126 PolarHBondContact OD1-N 2.96Å; H126-L129 PolarHBondContact O-N 2.91Å; H126-N130 PolarHBondContact CE1-ND2 3.28Å; H126-N130 PolarHBondContact NE2-ND2 2.91Å; H126-N130 PolarHBondContact O-N 3.02Å; H126-N130 PolarHBondContact O-ND2 3.18Å; H126-D201 IonicContact CD2-OD1 3.31Å; H126-D201 IonicContact CD2-OD2 2.78Å; H126-D201 IonicContact CE1-OD1 3.05Å; H126-D201 IonicContact CE1-OD2 2.65Å; H126-D201 IonicContact NE2-OD1 3.05Å; H126-D201 PolarHBondContact NE2-OD1 3.17Å; H126-D201 IonicContact NE2-OD2 2.82Å; H126-D201 PolarHBondContact NE2-OD2 2.81Å; H126-S203 PolarHBondContact CE1-OG 3.31Å; H126-S203 VanDerWaalsContact CE1-OG 3.31Å; H126-H258 WeakPolarHBondContact CD2-CB 3.36Å; H126-H258 AromaticContact CD2-CG 3.48Å; H126-H258 VanDerWaalsContact CD2-CG 3.48Å; H126-H258 AromaticContact CD2-ND1 3.75Å; H126-H258 AromaticContact CE1-CE1 3.98Å; H126-H258 AromaticContact CE1-CG 3.86Å; H126-H258 AromaticContact CE1-ND1 3.31Å; H126-H258 PolarHBondContact CE1-ND1 3.43Å; H126-H258 VanDerWaalsContact CE1-ND1 3.31Å; H126-H258 AromaticContact CG-CD2 3.9Å; H126-H258 AromaticContact CG-CE1 3.92Å; H126-H258 AromaticContact CG-CG 3.53Å; H126-H258 AromaticContact CG-ND1 3.57Å; H126-H258 AromaticContact ND1-CE1 3.59Å; H126-H258 AromaticContact ND1-CG 3.81Å; H126-H258 AromaticContact ND1-ND1 3.32Å; H126-H258 PolarHBondContact ND1-ND1 3.29Å; H126-H258 WeakPolarHBondContact NE2-CB 3.23Å; H126-H258 AromaticContact NE2-CG 3.66Å; H126-H258 AromaticContact NE2-ND1 3.55Å; H126-Y362 HydrophobicContact CB-CE1 3.95Å; H126-I363 HydrophobicContact CB-CD1 3.98Å; H126-I363 HydrophobicContact CB-CG1 4.42Å
127	E	96.8	Very high	96.1	Very high	87 Å²	87	40.4 Å²	40.4	41%	0.407	20%	0.195	S	C	.	.	H	α-helix	trans	-63.1	-43.5	173.6	-171.1	170.9	-155.7	0	0	111.1	L116 F117 D124 N130 Y131	L116-E127 HydrophobicContact CD2-CG 3.84Å; L116-E127 WeakPolarHBondContact CD2-OE1 3.29Å; F117-E127 HydrophobicContact CZ-CG 4.34Å; D124-E127 HydrophobicContact CB-CB 3.89Å; D124-E127 PolarHBondContact O-N 3.26Å; E127-N130 PolarHBondContact O-N 2.81Å; E127-Y131 WeakPolarHBondContact O-CB 3.48Å; E127-Y131 PolarHBondContact O-N 3.33Å
128	F	98.2	Very high	96.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-44.7	173.5	172.3	-110	0	0	0	112.9	Y49 C50 V53 F106 L110 F117 D124 N130 Y131 L132	Y49-F128 HydrophobicContact CD2-CB 3.65Å; Y49-F128 HydrophobicContact CD2-CD1 4.25Å; Y49-F128 AromaticContact CD2-CG 3.88Å; Y49-F128 HydrophobicContact CD2-CG 3.88Å; Y49-F128 HydrophobicContact CE2-CB 3.79Å; Y49-F128 HydrophobicContact CE2-CD1 4.46Å; Y49-F128 AromaticContact CE2-CD2 3.99Å; Y49-F128 HydrophobicContact CE2-CD2 3.99Å; Y49-F128 AromaticContact CE2-CG 3.81Å; Y49-F128 HydrophobicContact CE2-CG 3.81Å; C50-F128 HydrophobicContact CB-CD1 4.4Å; C50-F128 HydrophobicContact CB-CE1 4.07Å; C50-F128 HydrophobicContact CB-CZ 4.14Å; C50-F128 WeakPolarHBondContact SG-CZ 3.33Å; V53-F128 HydrophobicContact CB-CD1 3.7Å; V53-F128 HydrophobicContact CB-CE1 3.78Å; V53-F128 HydrophobicContact CG1-CD1 3.76Å; V53-F128 HydrophobicContact CG1-CE1 3.71Å; V53-F128 HydrophobicContact CG2-CD1 4.01Å; F106-F128 HydrophobicContact CE1-CE2 4.28Å; F106-F128 AromaticContact CE1-CZ 3.87Å; F106-F128 HydrophobicContact CE1-CZ 3.87Å; F106-F128 HydrophobicContact CZ-CE2 4.39Å; F106-F128 AromaticContact CZ-CZ 3.98Å; F106-F128 HydrophobicContact CZ-CZ 3.98Å; L110-F128 HydrophobicContact CD1-CD2 4.27Å; L110-F128 HydrophobicContact CD1-CE2 3.89Å; L110-F128 HydrophobicContact CD2-CD2 4.11Å; L110-F128 HydrophobicContact CD2-CE2 3.62Å; L110-F128 HydrophobicContact CD2-CZ 4.49Å; L110-F128 HydrophobicContact CG-CE2 4.4Å; F117-F128 HydrophobicContact CE1-CB 3.97Å; F117-F128 HydrophobicContact CE1-CD2 4.47Å; F117-F128 HydrophobicContact CE2-CD2 4.41Å; F117-F128 HydrophobicContact CZ-CB 3.92Å; F117-F128 HydrophobicContact CZ-CD2 4.3Å; D124-F128 PolarHBondContact O-N 2.91Å; F128-N130 PolarHBondContact O-N 3.35Å; F128-Y131 PolarHBondContact O-N 3.17Å; F128-L132 HydrophobicContact CE1-CD2 4.14Å; F128-L132 HydrophobicContact CE2-CB 4.44Å; F128-L132 HydrophobicContact CZ-CB 4.43Å; F128-L132 HydrophobicContact CZ-CD2 3.89Å; F128-L132 VanDerWaalsContact O-CB 3.28Å; F128-L132 WeakPolarHBondContact O-CB 3.31Å; F128-L132 PolarHBondContact O-N 2.68Å
129	L	98.6	Very high	96.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.5	-50.6	176.5	172.9	64.8	0	0	0	111	V53 L57 A125 H126 L132 L133 I363 F365	V53-L129 HydrophobicContact CG1-CB 4.07Å; V53-L129 HydrophobicContact CG1-CD1 3.91Å; V53-L129 HydrophobicContact CG2-CB 4.48Å; L57-L129 HydrophobicContact CD1-CD1 4.11Å; L57-L129 HydrophobicContact CD2-CD1 4.07Å; L57-L129 HydrophobicContact CG-CD1 4.33Å; A125-L129 WeakPolarHBondContact O-CB 3.34Å; A125-L129 PolarHBondContact O-N 2.87Å; H126-L129 PolarHBondContact O-N 2.91Å; L129-L132 PolarHBondContact O-N 2.62Å; L129-L133 HydrophobicContact CD1-CD1 3.82Å; L129-L133 HydrophobicContact CD1-CG 3.96Å; L129-L133 HydrophobicContact CG-CD1 4.19Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 3.09Å; L129-I363 HydrophobicContact CD2-CD1 4.18Å; L129-I363 HydrophobicContact CD2-CG2 4.01Å; L129-F365 HydrophobicContact CD1-CE1 4.28Å; L129-F365 HydrophobicContact CD1-CZ 4.07Å; L129-F365 HydrophobicContact CD2-CE1 4.24Å; L129-F365 HydrophobicContact CD2-CZ 3.78Å
130	N	98.1	Very high	96.3	Very high	38 Å²	38	40.5 Å²	40.5	20%	0.203	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-46.9	179.8	-92.7	-58.5	0	0	0	112	H126 E127 F128 L132 N134 D201	H126-N130 PolarHBondContact CE1-ND2 3.28Å; H126-N130 PolarHBondContact NE2-ND2 2.91Å; H126-N130 PolarHBondContact O-N 3.02Å; H126-N130 PolarHBondContact O-ND2 3.18Å; E127-N130 PolarHBondContact O-N 2.81Å; F128-N130 PolarHBondContact O-N 3.35Å; N130-L132 VanDerWaalsContact C-N 3.32Å; N130-L132 PolarHBondContact O-N 2.85Å; N130-N134 WeakPolarHBondContact O-CB 3.38Å; N130-N134 PolarHBondContact O-N 2.78Å; N130-N134 VanDerWaalsContact O-N 3.07Å; N130-N134 PolarHBondContact O-ND2 2.82Å; N130-D201 PolarHBondContact ND2-OD1 2.8Å; N130-D201 PolarHBondContact OD1-OD1 2.89Å
131	Y	98.2	Very high	96.5	Very high	41 Å²	41	35 Å²	35	16%	0.161	17%	0.174	C	C	.	.	H	α-helix	trans	-57.2	-46.9	175.2	167.7	-103	0	0	0	111.7	L80 L110 N114 F117 E127 F128 T135	L80-Y131 HydrophobicContact CD2-CE1 3.75Å; L110-Y131 HydrophobicContact CD1-CD1 3.95Å; L110-Y131 HydrophobicContact CD1-CE1 3.44Å; L110-Y131 VanDerWaalsContact CD1-CE1 3.44Å; N114-Y131 HydrophobicContact CB-CD2 4.44Å; N114-Y131 HydrophobicContact CB-CE1 4.12Å; N114-Y131 HydrophobicContact CB-CE2 3.69Å; N114-Y131 WeakPolarHBondContact CB-OH 3.36Å; N114-Y131 WeakPolarHBondContact ND2-CD2 3.19Å; N114-Y131 WeakPolarHBondContact ND2-CE2 3.47Å; F117-Y131 AromaticContact CD2-CD1 3.95Å; F117-Y131 HydrophobicContact CD2-CD1 3.95Å; F117-Y131 HydrophobicContact CD2-CE1 4.27Å; F117-Y131 HydrophobicContact CD2-CG 4.37Å; F117-Y131 AromaticContact CE2-CD1 3.56Å; F117-Y131 HydrophobicContact CE2-CD1 3.56Å; F117-Y131 HydrophobicContact CE2-CD2 4.47Å; F117-Y131 HydrophobicContact CE2-CE1 4.31Å; F117-Y131 AromaticContact CE2-CG 3.66Å; F117-Y131 HydrophobicContact CE2-CG 3.66Å; E127-Y131 WeakPolarHBondContact O-CB 3.48Å; E127-Y131 PolarHBondContact O-N 3.33Å; F128-Y131 PolarHBondContact O-N 3.17Å; Y131-T135 WeakPolarHBondContact CD2-OG1 3.41Å; Y131-T135 WeakPolarHBondContact CE2-OG1 3.3Å; Y131-T135 VanDerWaalsContact O-CB 3.22Å; Y131-T135 WeakPolarHBondContact O-CB 3.46Å; Y131-T135 PolarHBondContact O-N 2.96Å; Y131-T135 PolarHBondContact O-OG1 3.13Å
132	L	98.6	Very high	96.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-50	-177.6	179.8	60.7	0	0	0	111.6	L54 L57 L80 F106 F128 L129 N130 T135 I136	L54-L132 HydrophobicContact CD2-CD2 4.24Å; L57-L132 HydrophobicContact CD1-CD2 3.65Å; L80-L132 HydrophobicContact CD2-CD1 3.68Å; L80-L132 HydrophobicContact CG-CD1 4.11Å; F106-L132 HydrophobicContact CE2-CD1 4.2Å; F106-L132 HydrophobicContact CZ-CD1 3.93Å; F106-L132 HydrophobicContact CZ-CD2 4.49Å; F128-L132 HydrophobicContact CE1-CD2 4.14Å; F128-L132 HydrophobicContact CE2-CB 4.44Å; F128-L132 HydrophobicContact CZ-CB 4.43Å; F128-L132 HydrophobicContact CZ-CD2 3.89Å; F128-L132 VanDerWaalsContact O-CB 3.28Å; F128-L132 WeakPolarHBondContact O-CB 3.31Å; F128-L132 PolarHBondContact O-N 2.68Å; L129-L132 PolarHBondContact O-N 2.62Å; N130-L132 VanDerWaalsContact C-N 3.32Å; N130-L132 PolarHBondContact O-N 2.85Å; L132-T135 PolarHBondContact O-N 2.99Å; L132-I136 HydrophobicContact CD1-CD1 3.83Å; L132-I136 HydrophobicContact CD1-CG1 4.24Å; L132-I136 HydrophobicContact CG-CD1 3.92Å; L132-I136 WeakPolarHBondContact O-CB 3.21Å; L132-I136 WeakPolarHBondContact O-CG1 3.42Å; L132-I136 PolarHBondContact O-N 3.21Å
133	L	98.4	Very high	96.5	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-45.1	-178.6	-67.1	-177.7	0	0	0	111.9	L57 F63 L129 I136 A137 V172 F176 L200	L57-L133 HydrophobicContact CD2-CD2 4.41Å; F63-L133 HydrophobicContact CE2-CD2 3.92Å; F63-L133 HydrophobicContact CZ-CD2 4.39Å; L129-L133 HydrophobicContact CD1-CD1 3.82Å; L129-L133 HydrophobicContact CD1-CG 3.96Å; L129-L133 HydrophobicContact CG-CD1 4.19Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 3.09Å; L133-I136 PolarHBondContact O-N 3.39Å; L133-A137 WeakPolarHBondContact O-CB 3.15Å; L133-A137 PolarHBondContact O-N 2.85Å; L133-V172 HydrophobicContact CB-CG1 4.17Å; L133-V172 HydrophobicContact CD2-CG1 4.33Å; L133-F176 HydrophobicContact CD1-CD1 4.42Å; L133-F176 HydrophobicContact CD1-CD2 4.16Å; L133-F176 HydrophobicContact CD1-CE2 4.44Å; L133-F176 HydrophobicContact CD1-CG 4.15Å; L133-F176 HydrophobicContact CD2-CD2 4.05Å; L133-F176 HydrophobicContact CD2-CE2 3.85Å; L133-F176 HydrophobicContact CD2-CZ 4.48Å; L133-L200 HydrophobicContact CB-CD1 4.05Å; L133-L200 HydrophobicContact CD1-CB 4.49Å
134	N	97.6	Very high	96.3	Very high	69 Å²	69	34.5 Å²	34.5	37%	0.369	17%	0.166	S	C	.	.	H	α-helix	trans	-65	-43.1	177.5	-74.2	-69.1	0	0	0	111.6	N130 I136 A137 D138	N130-N134 WeakPolarHBondContact O-CB 3.38Å; N130-N134 PolarHBondContact O-N 2.78Å; N130-N134 VanDerWaalsContact O-N 3.07Å; N130-N134 PolarHBondContact O-ND2 2.82Å; N134-I136 VanDerWaalsContact C-N 3.32Å; N134-I136 PolarHBondContact O-N 3.31Å; N134-A137 WeakPolarHBondContact O-CB 3.33Å; N134-A137 PolarHBondContact O-N 3.32Å; N134-A137 VanDerWaalsContact O-N 3.11Å; N134-D138 PolarHBondContact O-N 3.33Å
135	T	97.7	Very high	96	Very high	21 Å²	21	37.8 Å²	37.8	13%	0.129	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-42.1	176.9	-59.9	0	0	0	0	111.7	L80 Y131 L132 D138 I139	L80-T135 HydrophobicContact CB-CG2 4.37Å; L80-T135 HydrophobicContact CD2-CG2 4Å; Y131-T135 WeakPolarHBondContact CD2-OG1 3.41Å; Y131-T135 WeakPolarHBondContact CE2-OG1 3.3Å; Y131-T135 VanDerWaalsContact O-CB 3.22Å; Y131-T135 WeakPolarHBondContact O-CB 3.46Å; Y131-T135 PolarHBondContact O-N 2.96Å; Y131-T135 PolarHBondContact O-OG1 3.13Å; L132-T135 PolarHBondContact O-N 2.99Å; T135-D138 PolarHBondContact O-N 2.97Å; T135-I139 HydrophobicContact CG2-CD1 4.01Å; T135-I139 WeakPolarHBondContact O-CD1 3.41Å; T135-I139 VanDerWaalsContact O-CG1 3.23Å; T135-I139 WeakPolarHBondContact O-CG1 3.22Å; T135-I139 PolarHBondContact O-N 2.71Å
136	I	98	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-44.3	175.4	-68.7	169.4	0	0	0	110.4	F63 L81 L84 L132 L133 N134 D138 I139 L140 W171 V172	F63-I136 HydrophobicContact CE2-CD1 4.29Å; F63-I136 HydrophobicContact CZ-CD1 3.86Å; L81-I136 HydrophobicContact CB-CG1 4.36Å; L81-I136 HydrophobicContact CD1-CD1 4.34Å; L81-I136 HydrophobicContact CD1-CG1 4.13Å; L81-I136 HydrophobicContact CD1-CG2 3.92Å; L81-I136 HydrophobicContact CD2-CG2 4.08Å; L81-I136 HydrophobicContact CG-CG2 4.47Å; L84-I136 HydrophobicContact CD2-CD1 3.58Å; L132-I136 HydrophobicContact CD1-CD1 3.83Å; L132-I136 HydrophobicContact CD1-CG1 4.24Å; L132-I136 HydrophobicContact CG-CD1 3.92Å; L132-I136 WeakPolarHBondContact O-CB 3.21Å; L132-I136 WeakPolarHBondContact O-CG1 3.42Å; L132-I136 PolarHBondContact O-N 3.21Å; L133-I136 PolarHBondContact O-N 3.39Å; N134-I136 VanDerWaalsContact C-N 3.32Å; N134-I136 PolarHBondContact O-N 3.31Å; I136-D138 PolarHBondContact O-N 3.39Å; I136-I139 PolarHBondContact O-N 2.9Å; I136-L140 HydrophobicContact CG2-CD1 3.9Å; I136-L140 WeakPolarHBondContact O-CD1 3.3Å; I136-L140 VanDerWaalsContact O-CG 3.22Å; I136-L140 WeakPolarHBondContact O-CG 3.49Å; I136-L140 PolarHBondContact O-N 3.42Å; I136-L140 VanDerWaalsContact O-N 3.12Å; I136-W171 HydrophobicContact CG2-CH2 3.5Å; I136-W171 HydrophobicContact CG2-CZ2 3.79Å; I136-W171 HydrophobicContact CG2-CZ3 4.29Å; I136-V172 HydrophobicContact CB-CG2 4.1Å; I136-V172 HydrophobicContact CG2-CG2 3.42Å; I136-V172 VanDerWaalsContact CG2-CG2 3.42Å
137	A	97.4	Very high	94.8	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-59.2	-45.9	177.5	0	0	0	0	0	112	L133 N134 L140 Q141 V172	L133-A137 WeakPolarHBondContact O-CB 3.15Å; L133-A137 PolarHBondContact O-N 2.85Å; N134-A137 WeakPolarHBondContact O-CB 3.33Å; N134-A137 PolarHBondContact O-N 3.32Å; N134-A137 VanDerWaalsContact O-N 3.11Å; A137-L140 PolarHBondContact O-N 3.11Å; A137-Q141 WeakPolarHBondContact O-CG 3.44Å; A137-Q141 PolarHBondContact O-N 3.36Å; A137-V172 HydrophobicContact CB-CB 4.25Å; A137-V172 HydrophobicContact CB-CG1 4.41Å; A137-V172 HydrophobicContact CB-CG2 4.42Å
138	D	96.1	Very high	94.1	Very high	95 Å²	95	43 Å²	43	51%	0.508	20%	0.202	S	C	.	.	H	α-helix	trans	-62.5	-43.8	178.6	-70.7	-18.3	0	0	0	112.1	N134 T135 I136 L140 Q141 E142	N134-D138 PolarHBondContact O-N 3.33Å; T135-D138 PolarHBondContact O-N 2.97Å; I136-D138 PolarHBondContact O-N 3.39Å; D138-L140 VanDerWaalsContact C-N 3.3Å; D138-L140 PolarHBondContact O-N 2.94Å; D138-Q141 PolarHBondContact O-N 3.42Å; D138-E142 WeakPolarHBondContact O-CB 3.49Å; D138-E142 PolarHBondContact O-N 3.07Å
139	I	95.6	Very high	93.2	Very high	31 Å²	31	50.6 Å²	50.6	16%	0.159	24%	0.237	C	C	.	.	H	α-helix	trans	-57.2	-45.8	175.7	-71.3	163.9	0	0	0	110.5	L81 T135 I136 E142 E143	L81-I139 HydrophobicContact CB-CD1 3.93Å; L81-I139 HydrophobicContact CB-CG2 4.41Å; L81-I139 HydrophobicContact CD2-CG2 4.09Å; T135-I139 HydrophobicContact CG2-CD1 4.01Å; T135-I139 WeakPolarHBondContact O-CD1 3.41Å; T135-I139 VanDerWaalsContact O-CG1 3.23Å; T135-I139 WeakPolarHBondContact O-CG1 3.22Å; T135-I139 PolarHBondContact O-N 2.71Å; I136-I139 PolarHBondContact O-N 2.9Å; I139-E142 PolarHBondContact O-N 3.1Å; I139-E143 WeakPolarHBondContact O-CG 3.4Å; I139-E143 PolarHBondContact O-N 2.95Å
140	L	95.4	Very high	92.3	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.105	27%	0.268	C	S	.	.	H	α-helix	trans	-68.6	-38.1	-178.6	-66.3	164.1	0	0	0	112.4	Y70 L81 I136 A137 D138 R144 T170 W171 V172	Y70-L140 HydrophobicContact CD2-CD2 4.14Å; Y70-L140 HydrophobicContact CE2-CD2 4.05Å; L81-L140 HydrophobicContact CD2-CD2 3.92Å; L81-L140 HydrophobicContact CD2-CG 4.14Å; I136-L140 HydrophobicContact CG2-CD1 3.9Å; I136-L140 WeakPolarHBondContact O-CD1 3.3Å; I136-L140 VanDerWaalsContact O-CG 3.22Å; I136-L140 WeakPolarHBondContact O-CG 3.49Å; I136-L140 PolarHBondContact O-N 3.42Å; I136-L140 VanDerWaalsContact O-N 3.12Å; A137-L140 PolarHBondContact O-N 3.11Å; D138-L140 VanDerWaalsContact C-N 3.3Å; D138-L140 PolarHBondContact O-N 2.94Å; L140-R144 WeakPolarHBondContact O-CB 3.21Å; L140-R144 PolarHBondContact O-N 3.44Å; L140-T170 HydrophobicContact CB-CG2 3.76Å; L140-T170 HydrophobicContact CD1-CG2 4.45Å; L140-W171 HydrophobicContact CD1-CD2 3.93Å; L140-W171 HydrophobicContact CD1-CG 4.24Å; L140-W171 HydrophobicContact CD1-CH2 4.4Å; L140-W171 HydrophobicContact CD1-CZ2 3.58Å; L140-W171 HydrophobicContact CD2-CZ2 4.25Å; L140-W171 VanDerWaalsContact CD2-NE1 3.31Å; L140-W171 HydrophobicContact CG-CZ2 4.41Å; L140-V172 HydrophobicContact CD1-CG2 4.01Å
141	Q	94.1	Very high	90.9	Very high	34 Å²	34	57.6 Å²	57.6	16%	0.159	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-42.8	175.1	-72.6	179.6	3.1	0	0	111.1	A137 D138 R144 K145 T170	A137-Q141 WeakPolarHBondContact O-CG 3.44Å; A137-Q141 PolarHBondContact O-N 3.36Å; D138-Q141 PolarHBondContact O-N 3.42Å; Q141-R144 PolarHBondContact O-N 2.6Å; Q141-K145 WeakPolarHBondContact O-CG 3.5Å; Q141-K145 PolarHBondContact O-N 3.49Å; Q141-T170 HydrophobicContact CG-CG2 3.53Å
142	E	92.4	Very high	89.4	Confident	91 Å²	91	65.1 Å²	65.1	43%	0.425	32%	0.318	S	S	.	.	H	α-helix	trans	-65.7	-43.3	178.5	-175.7	52.8	-147	0	0	111.8	D138 I139 R144 K145 Q146	D138-E142 WeakPolarHBondContact O-CB 3.49Å; D138-E142 PolarHBondContact O-N 3.07Å; I139-E142 PolarHBondContact O-N 3.1Å; E142-R144 VanDerWaalsContact C-N 3.33Å; E142-R144 PolarHBondContact O-N 2.85Å; E142-K145 PolarHBondContact O-N 3.47Å; E142-Q146 WeakPolarHBondContact O-CG 3.48Å; E142-Q146 PolarHBondContact O-N 2.96Å; E142-Q146 PolarHBondContact OE1-NE2 3.28Å
143	E	91.2	Very high	87.7	Confident	35 Å²	35	68 Å²	68	16%	0.164	33%	0.333	C	S	.	.	H	α-helix	trans	-58.3	-43.8	173.2	-75.5	-177.2	175.2	0	0	111.8	Y70 R75 I139 Q146 E147	Y70-E143 WeakPolarHBondContact CE2-OE2 3.41Å; Y70-E143 PolarHBondContact OH-OE1 3.39Å; R75-E143 IonicContact CZ-OE1 2.8Å; R75-E143 IonicContact CZ-OE2 3.42Å; R75-E143 VanDerWaalsContact CZ-OE2 3.31Å; R75-E143 IonicContact NE-OE1 3.99Å; R75-E143 PolarHBondContact NE-OE1 2.99Å; R75-E143 IonicContact NE-OE2 3.37Å; R75-E143 PolarHBondContact NE-OE2 3.41Å; R75-E143 IonicContact NH2-OE2 2.67Å; R75-E143 PolarHBondContact NH2-OE2 3.06Å; I139-E143 WeakPolarHBondContact O-CG 3.4Å; I139-E143 PolarHBondContact O-N 2.95Å; E143-Q146 PolarHBondContact O-N 2.73Å; E143-E147 WeakPolarHBondContact O-CG 3.37Å; E143-E147 PolarHBondContact O-N 3.33Å
144	R	88.7	Confident	85.7	Confident	96 Å²	96	73.5 Å²	73.5	36%	0.362	37%	0.368	S	S	.	.	H	α-helix	trans	-65.2	-39.8	178	-172.4	177.1	179.3	177.9	-6.5	112.3	L140 Q141 E142 Q146 E147 K148 L153 D168	L140-R144 WeakPolarHBondContact O-CB 3.21Å; L140-R144 PolarHBondContact O-N 3.44Å; Q141-R144 PolarHBondContact O-N 2.6Å; E142-R144 VanDerWaalsContact C-N 3.33Å; E142-R144 PolarHBondContact O-N 2.85Å; R144-Q146 VanDerWaalsContact C-N 3.33Å; R144-E147 PolarHBondContact O-N 2.83Å; R144-K148 WeakPolarHBondContact O-CG 3.23Å; R144-K148 PolarHBondContact O-N 2.82Å; R144-L153 HydrophobicContact CG-CD1 4.07Å; R144-D168 IonicContact CZ-OD2 2.73Å; R144-D168 VanDerWaalsContact CZ-OD2 3.23Å; R144-D168 IonicContact NE-OD2 3.31Å; R144-D168 IonicContact NH1-OD2 2.75Å; R144-D168 IonicContact NH2-OD2 3.43Å; R144-D168 PolarHBondContact NH2-OD2 3.38Å; R144-D168 VanDerWaalsContact NH2-OD2 3.15Å
145	K	88.6	Confident	83.6	Confident	109 Å²	109	75.5 Å²	75.5	47%	0.474	38%	0.379	S	S	.	.	H	α-helix	trans	-60.7	-43.9	174.2	-74.1	174	-174.5	173.6	0	110.9	Q141 E142 K148 Q149	Q141-K145 WeakPolarHBondContact O-CG 3.5Å; Q141-K145 PolarHBondContact O-N 3.49Å; E142-K145 PolarHBondContact O-N 3.47Å; K145-K148 PolarHBondContact O-N 2.83Å; K145-Q149 WeakPolarHBondContact O-CG 3.41Å; K145-Q149 PolarHBondContact O-N 2.82Å
146	Q	86.7	Confident	81.5	Confident	88 Å²	88	77.4 Å²	77.4	41%	0.411	40%	0.403	S	S	.	.	H	α-helix	trans	-66.1	-37.1	176.7	-68.6	173.7	19.1	0	0	112.5	E142 E143 R144 Q149 N150	E142-Q146 WeakPolarHBondContact O-CG 3.48Å; E142-Q146 PolarHBondContact O-N 2.96Å; E142-Q146 PolarHBondContact OE1-NE2 3.28Å; E143-Q146 PolarHBondContact O-N 2.73Å; R144-Q146 VanDerWaalsContact C-N 3.33Å; Q146-Q149 PolarHBondContact O-N 3.21Å; Q146-N150 VanDerWaalsContact O-CB 3.27Å; Q146-N150 WeakPolarHBondContact O-CB 3.42Å; Q146-N150 PolarHBondContact O-N 3.13Å; Q146-N150 PolarHBondContact O-ND2 3.43Å
147	E	84.1	Confident	78.8	Confident	54 Å²	54	84.3 Å²	84.3	25%	0.252	44%	0.44	S	S	.	.	H	α-helix	trans	-67.9	-37.9	175.5	-74.5	177.5	172	0	0	112.9	R75 E143 R144 G151 R152 L153	R75-E147 IonicContact NH1-OE1 3.77Å; E143-E147 WeakPolarHBondContact O-CG 3.37Å; E143-E147 PolarHBondContact O-N 3.33Å; R144-E147 PolarHBondContact O-N 2.83Å; E147-G151 PolarHBondContact O-N 3.37Å; E147-R152 HydrophobicContact CB-CB 4.47Å; E147-R152 PolarHBondContact O-N 2.87Å; E147-L153 HydrophobicContact CB-CD1 3.81Å; E147-L153 HydrophobicContact CB-CG 4.27Å
148	K	81.5	Confident	76.2	Confident	77 Å²	77	89.5 Å²	89.5	34%	0.335	47%	0.466	S	S	.	.	H	α-helix	trans	-63.1	-46.7	171.2	-71.3	-178.5	-174.6	-178.7	0	110.8	R144 K145 N150 G151 L153 D168	R144-K148 WeakPolarHBondContact O-CG 3.23Å; R144-K148 PolarHBondContact O-N 2.82Å; K145-K148 PolarHBondContact O-N 2.83Å; K148-N150 VanDerWaalsContact C-N 3.34Å; K148-N150 PolarHBondContact O-N 3.29Å; K148-G151 PolarHBondContact O-N 3.27Å; K148-L153 HydrophobicContact CG-CB 4.21Å; K148-L153 HydrophobicContact CG-CD1 4.08Å; K148-D168 IonicContact NZ-OD2 3.44Å; K148-D168 PolarHBondContact NZ-OD2 3.44Å
149	Q	80.2	Confident	73.6	Confident	160 Å²	160	91.1 Å²	91.1	75%	0.748	48%	0.475	S	S	*	.	H	α-helix	trans	-64.8	-34.8	178.3	-72.5	175.5	11	0	0	113.2	K145 Q146 G151	K145-Q149 WeakPolarHBondContact O-CG 3.41Å; K145-Q149 PolarHBondContact O-N 2.82Å; Q146-Q149 PolarHBondContact O-N 3.21Å; Q149-G151 VanDerWaalsContact C-N 3.25Å; Q149-G151 PolarHBondContact O-N 2.99Å
150	N	80.4	Confident	70.8	Confident	122 Å²	122	96.7 Å²	96.7	65%	0.652	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	5.7	177.7	-69.7	-36.2	0	0	0	113.8	Q146 K148 R152	Q146-N150 VanDerWaalsContact O-CB 3.27Å; Q146-N150 WeakPolarHBondContact O-CB 3.42Å; Q146-N150 PolarHBondContact O-N 3.13Å; Q146-N150 PolarHBondContact O-ND2 3.43Å; K148-N150 VanDerWaalsContact C-N 3.34Å; K148-N150 PolarHBondContact O-N 3.29Å; N150-R152 VanDerWaalsContact C-N 3.28Å; N150-R152 PolarHBondContact O-N 2.96Å
151	G	68.8	Low	68	Low	63 Å²	63	103.6 Å²	103.6	65%	0.649	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	18	177.1	0	0	0	0	0	115.2	E147 K148 Q149	E147-G151 PolarHBondContact O-N 3.37Å; K148-G151 PolarHBondContact O-N 3.27Å; Q149-G151 VanDerWaalsContact C-N 3.25Å; Q149-G151 PolarHBondContact O-N 2.99Å
152	R	66.4	Low	65.2	Low	200 Å²	200	108.4 Å²	108.4	76%	0.755	56%	0.564	S	S	*	*	S	Bend	trans	-84.1	-16.8	177.8	-72.1	-175	175.6	-176.8	-2.8	113.4	E147 N150	E147-R152 HydrophobicContact CB-CB 4.47Å; E147-R152 PolarHBondContact O-N 2.87Å; N150-R152 VanDerWaalsContact C-N 3.28Å; N150-R152 PolarHBondContact O-N 2.96Å
153	L	61.3	Low	62.8	Low	61 Å²	61	112.5 Å²	112.5	32%	0.319	59%	0.588	S	S	.	*	S	Bend	trans	-115.1	143.8	172.1	-71	166.1	0	0	0	108.6	R144 E147 K148 N155	R144-L153 HydrophobicContact CG-CD1 4.07Å; E147-L153 HydrophobicContact CB-CD1 3.81Å; E147-L153 HydrophobicContact CB-CG 4.27Å; K148-L153 HydrophobicContact CG-CB 4.21Å; K148-L153 HydrophobicContact CG-CD1 4.08Å; L153-N155 PolarHBondContact O-N 3.49Å
154	P	57.3	Low	60.6	Low	116 Å²	116	118.4 Å²	118.4	75%	0.753	62%	0.621	S	S	*	*			trans	-56.5	135.1	172.7	-15.8	26.9	0	0	0	109.4	G156	P154-G156 PolarHBondContact O-N 2.95Å
155	N	54.4	Low	59	Low	112 Å²	112	118.4 Å²	118.4	60%	0.599	64%	0.636	S	S	*	*			trans	-65.5	84.8	159.4	-82.8	-11.4	0	0	0	107	L153 N157 I158	L153-N155 PolarHBondContact O-N 3.49Å; N155-N157 PolarHBondContact O-N 3.35Å; N155-I158 HydrophobicContact CB-CD1 4.25Å; N155-I158 HydrophobicContact CB-CG1 4.46Å
156	G	51.7	Low	58	Low	60 Å²	60	118.9 Å²	118.9	62%	0.619	65%	0.648	S	S	*	*			trans	-55.2	134	160	0	0	0	0	0	107.5	P154 I158	P154-G156 PolarHBondContact O-N 2.95Å; G156-I158 PolarHBondContact O-N 3.26Å; G156-I158 VanDerWaalsContact O-N 3.1Å
157	N	41.9	Very low	57.5	Low	145 Å²	145	118.5 Å²	118.5	78%	0.775	65%	0.653	S	S	*	*			trans	-17.9	105.7	-172.1	-75.2	-5.5	0	0	0	113.4	N155 D159	N155-N157 PolarHBondContact O-N 3.35Å; N157-D159 PolarHBondContact O-N 3.24Å
158	I	43.7	Very low	57.5	Low	110 Å²	110	119.2 Å²	119.2	56%	0.564	66%	0.659	S	S	*	*			trans	-70.8	79.6	164.1	-61.5	169.2	0	0	0	105.4	N155 G156 N160	N155-I158 HydrophobicContact CB-CD1 4.25Å; N155-I158 HydrophobicContact CB-CG1 4.46Å; G156-I158 PolarHBondContact O-N 3.26Å; G156-I158 VanDerWaalsContact O-N 3.1Å; I158-N160 VanDerWaalsContact C-N 3.31Å; I158-N160 PolarHBondContact O-N 3.36Å; I158-N160 VanDerWaalsContact O-N 3.15Å
159	D	41	Very low	58	Low	130 Å²	130	119.2 Å²	119.2	70%	0.695	67%	0.666	S	S	*	*			trans	-70	102.2	155	-71.6	-21.9	0	0	0	105.2	N157 E161	N157-D159 PolarHBondContact O-N 3.24Å; D159-E161 PolarHBondContact O-N 2.83Å
160	N	36.8	Very low	58.8	Low	147 Å²	147	112.2 Å²	112.2	79%	0.786	64%	0.635	S	S	*	*			trans	-63.6	56.7	169.2	-96.8	-24.8	0	0	0	110.3	I158	I158-N160 VanDerWaalsContact C-N 3.31Å; I158-N160 PolarHBondContact O-N 3.36Å; I158-N160 VanDerWaalsContact O-N 3.15Å
161	E	36.1	Very low	59.6	Low	165 Å²	165	107.9 Å²	107.9	77%	0.771	61%	0.609	S	S	*	*			trans	-142.5	118.6	178	-72.9	-165.9	162.3	0	0	112.2	D159	D159-E161 PolarHBondContact O-N 2.83Å
162	N	36.7	Very low	61	Low	136 Å²	136	104.9 Å²	104.9	73%	0.727	58%	0.578	S	S	*	*			trans	79.1	97.7	171	-63.6	-27.9	0	0	0	118.6	N164 S165	N162-N164 PolarHBondContact O-N 3.45Å; N162-S165 PolarHBondContact O-N 2.91Å; N162-S165 PolarHBondContact O-OG 3.25Å
163	N	41.4	Very low	62.5	Low	176 Å²	176	96.6 Å²	96.6	94%	0.941	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	22.1	164	-98.3	-15.5	0	0	0	115.6
164	N	45.4	Very low	64.2	Low	159 Å²	159	98.8 Å²	98.8	85%	0.85	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.3	13.4	-180	-83.3	-10.9	0	0	0	113.2	N162	N162-N164 PolarHBondContact O-N 3.45Å
165	S	55.2	Low	66.1	Low	97 Å²	97	93.4 Å²	93.4	68%	0.678	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-78.1	127.1	176.7	33.5	0	0	0	0	111	N162	N162-S165 PolarHBondContact O-N 2.91Å; N162-S165 PolarHBondContact O-OG 3.25Å
166	T	66.8	Low	68.2	Low	119 Å²	119	88.1 Å²	88.1	73%	0.73	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-53.7	133.5	176.1	47.2	0	0	0	0	110.3
167	P	76	Confident	70.4	Confident	79 Å²	79	86.7 Å²	86.7	51%	0.513	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-52.5	145.6	178.9	-24.4	32.2	0	0	0	112.1
168	D	84.8	Confident	72.8	Confident	69 Å²	69	79.8 Å²	79.8	37%	0.369	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-54.2	135.2	175.9	-67.1	-38.9	0	0	0	110.4	R144 K148	R144-D168 IonicContact CZ-OD2 2.73Å; R144-D168 VanDerWaalsContact CZ-OD2 3.23Å; R144-D168 IonicContact NE-OD2 3.31Å; R144-D168 IonicContact NH1-OD2 2.75Å; R144-D168 IonicContact NH2-OD2 3.43Å; R144-D168 PolarHBondContact NH2-OD2 3.38Å; R144-D168 VanDerWaalsContact NH2-OD2 3.15Å; K148-D168 IonicContact NZ-OD2 3.44Å; K148-D168 PolarHBondContact NZ-OD2 3.44Å
169	P	91.8	Very high	75.2	Confident	77 Å²	77	75.4 Å²	75.4	50%	0.5	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-62.8	146.1	179.5	25.2	-33.5	0	0	0	111.3	H173	P169-H173 HydrophobicContact CB-CB 3.95Å
170	T	96.7	Very high	77.6	Confident	13 Å²	13	69.6 Å²	69.6	8%	0.08	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-102.2	171.8	173.7	71.2	0	0	0	0	109.8	L140 Q141 V172 H173 E174	L140-T170 HydrophobicContact CB-CG2 3.76Å; L140-T170 HydrophobicContact CD1-CG2 4.45Å; Q141-T170 HydrophobicContact CG-CG2 3.53Å; T170-V172 PolarHBondContact O-N 3.23Å; T170-V172 VanDerWaalsContact O-N 3.14Å; T170-V172 PolarHBondContact OG1-N 3.33Å; T170-H173 PolarHBondContact N-ND1 2.88Å; T170-H173 WeakPolarHBondContact O-CA 3.4Å; T170-H173 WeakPolarHBondContact O-CB 3.33Å; T170-H173 PolarHBondContact O-N 3.3Å; T170-H173 PolarHBondContact OG1-ND1 2.86Å; T170-E174 PolarHBondContact O-N 3.02Å
171	W	97.6	Very high	80.2	Confident	32 Å²	32	62.9 Å²	62.9	12%	0.121	35%	0.345	C	S	.	.	H	α-helix	trans	-63.2	-19.2	175.5	58.7	-105.2	0	0	0	113.7	F63 K66 V67 L81 I136 L140 H173 E174 I175	F63-W171 HydrophobicContact CD2-CH2 4.42Å; F63-W171 AromaticContact CD2-CZ3 3.65Å; F63-W171 HydrophobicContact CD2-CZ3 3.65Å; F63-W171 HydrophobicContact CE2-CH2 4.03Å; F63-W171 AromaticContact CE2-CZ3 3.6Å; F63-W171 HydrophobicContact CE2-CZ3 3.6Å; K66-W171 HydrophobicContact CB-CD2 3.71Å; K66-W171 HydrophobicContact CB-CE3 3.67Å; K66-W171 HydrophobicContact CB-CG 4.19Å; K66-W171 HydrophobicContact CB-CH2 4.45Å; K66-W171 HydrophobicContact CB-CZ2 4.47Å; K66-W171 HydrophobicContact CB-CZ3 4.06Å; K66-W171 HydrophobicContact CD-CB 3.72Å; K66-W171 HydrophobicContact CD-CD2 4.33Å; K66-W171 HydrophobicContact CD-CG 3.87Å; K66-W171 HydrophobicContact CG-CB 4.11Å; K66-W171 HydrophobicContact CG-CD2 4.06Å; K66-W171 HydrophobicContact CG-CE3 4.04Å; K66-W171 HydrophobicContact CG-CG 4.1Å; V67-W171 HydrophobicContact CG2-CH2 3.97Å; L81-W171 HydrophobicContact CD1-CH2 4.37Å; L81-W171 HydrophobicContact CD1-CZ2 4.26Å; L81-W171 HydrophobicContact CD2-CZ2 4.42Å; I136-W171 HydrophobicContact CG2-CH2 3.5Å; I136-W171 HydrophobicContact CG2-CZ2 3.79Å; I136-W171 HydrophobicContact CG2-CZ3 4.29Å; L140-W171 HydrophobicContact CD1-CD2 3.93Å; L140-W171 HydrophobicContact CD1-CG 4.24Å; L140-W171 HydrophobicContact CD1-CH2 4.4Å; L140-W171 HydrophobicContact CD1-CZ2 3.58Å; L140-W171 HydrophobicContact CD2-CZ2 4.25Å; L140-W171 VanDerWaalsContact CD2-NE1 3.31Å; L140-W171 HydrophobicContact CG-CZ2 4.41Å; W171-H173 VanDerWaalsContact C-N 3.35Å; W171-E174 WeakPolarHBondContact CA-OE2 3.22Å; W171-I175 HydrophobicContact CE3-CD1 4.09Å; W171-I175 WeakPolarHBondContact O-CD1 3.31Å; W171-I175 VanDerWaalsContact O-CG1 3.23Å; W171-I175 WeakPolarHBondContact O-CG1 3.38Å; W171-I175 PolarHBondContact O-N 2.89Å; W171-I175 VanDerWaalsContact O-N 3.17Å
172	V	98.2	Very high	82.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-45.9	169.5	177.2	0	0	0	0	109.7	L133 I136 A137 L140 T170 I175 F176	L133-V172 HydrophobicContact CB-CG1 4.17Å; L133-V172 HydrophobicContact CD2-CG1 4.33Å; I136-V172 HydrophobicContact CB-CG2 4.1Å; I136-V172 HydrophobicContact CG2-CG2 3.42Å; I136-V172 VanDerWaalsContact CG2-CG2 3.42Å; A137-V172 HydrophobicContact CB-CB 4.25Å; A137-V172 HydrophobicContact CB-CG1 4.41Å; A137-V172 HydrophobicContact CB-CG2 4.42Å; L140-V172 HydrophobicContact CD1-CG2 4.01Å; T170-V172 PolarHBondContact O-N 3.23Å; T170-V172 VanDerWaalsContact O-N 3.14Å; T170-V172 PolarHBondContact OG1-N 3.33Å; V172-I175 PolarHBondContact O-N 2.75Å; V172-F176 HydrophobicContact CG1-CD2 4.44Å; V172-F176 PolarHBondContact O-N 2.92Å
173	H	97.7	Very high	85.5	Confident	26 Å²	26	50.8 Å²	50.8	12%	0.12	29%	0.285	C	S	.	.	H	α-helix	trans	-69.4	-36.8	177.8	-54.6	99.5	0	0	0	111.8	P169 T170 W171 I175 Q177	P169-H173 HydrophobicContact CB-CB 3.95Å; T170-H173 PolarHBondContact N-ND1 2.88Å; T170-H173 WeakPolarHBondContact O-CA 3.4Å; T170-H173 WeakPolarHBondContact O-CB 3.33Å; T170-H173 PolarHBondContact O-N 3.3Å; T170-H173 PolarHBondContact OG1-ND1 2.86Å; W171-H173 VanDerWaalsContact C-N 3.35Å; H173-I175 PolarHBondContact O-N 3.22Å; H173-Q177 HydrophobicContact CB-CB 3.94Å; H173-Q177 PolarHBondContact CD2-OE1 3.21Å; H173-Q177 WeakPolarHBondContact O-CA 3.37Å; H173-Q177 WeakPolarHBondContact O-CB 3.35Å; H173-Q177 PolarHBondContact O-N 3.19Å
174	E	96.7	Very high	88	Confident	107 Å²	107	43 Å²	43	50%	0.5	24%	0.244	S	C	.	.	H	α-helix	trans	-56.6	-37	172.3	-66.6	170.1	-179.4	0	0	112	K66 T170 W171	K66-E174 IonicContact NZ-OE2 2.76Å; K66-E174 PolarHBondContact NZ-OE2 2.93Å; T170-E174 PolarHBondContact O-N 3.02Å; W171-E174 WeakPolarHBondContact CA-OE2 3.22Å
175	I	98.1	Very high	90.5	Very high	3 Å²	3	40 Å²	40	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-85.4	-54.2	-176.1	-66.1	169.9	0	0	0	111.5	P62 F63 K66 W171 V172 H173 M253 I254	P62-I175 HydrophobicContact CB-CD1 4.03Å; P62-I175 HydrophobicContact CB-CG1 4.11Å; P62-I175 HydrophobicContact CB-CG2 4.47Å; F63-I175 HydrophobicContact CB-CD1 4.28Å; K66-I175 HydrophobicContact CG-CD1 4.01Å; W171-I175 HydrophobicContact CE3-CD1 4.09Å; W171-I175 WeakPolarHBondContact O-CD1 3.31Å; W171-I175 VanDerWaalsContact O-CG1 3.23Å; W171-I175 WeakPolarHBondContact O-CG1 3.38Å; W171-I175 PolarHBondContact O-N 2.89Å; W171-I175 VanDerWaalsContact O-N 3.17Å; V172-I175 PolarHBondContact O-N 2.75Å; H173-I175 PolarHBondContact O-N 3.22Å; I175-M253 HydrophobicContact CG1-SD 4.48Å; I175-M253 WeakPolarHBondContact O-CB 3.45Å; I175-M253 PolarHBondContact O-N 2.98Å; I175-I254 HydrophobicContact CG2-CB 3.94Å; I175-I254 HydrophobicContact CG2-CD1 3.56Å; I175-I254 HydrophobicContact CG2-CG1 3.7Å; I175-I254 PolarHBondContact O-N 3.21Å
176	F	98.3	Very high	92.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-103.5	-14.9	-167.6	-68.6	-78.4	0	0	0	114.4	L57 F63 L133 V172 G178 L200 P252 I254 F365	L57-F176 HydrophobicContact CD2-CE1 4.45Å; L57-F176 HydrophobicContact CD2-CE2 4.36Å; L57-F176 HydrophobicContact CD2-CZ 3.69Å; F63-F176 HydrophobicContact CB-CE2 4.29Å; F63-F176 HydrophobicContact CB-CZ 4.45Å; F63-F176 AromaticContact CD2-CE2 3.61Å; F63-F176 HydrophobicContact CD2-CE2 3.61Å; F63-F176 HydrophobicContact CD2-CZ 4.36Å; F63-F176 HydrophobicContact CE2-CE2 4.22Å; F63-F176 HydrophobicContact CG-CE2 4.18Å; L133-F176 HydrophobicContact CD1-CD1 4.42Å; L133-F176 HydrophobicContact CD1-CD2 4.16Å; L133-F176 HydrophobicContact CD1-CE2 4.44Å; L133-F176 HydrophobicContact CD1-CG 4.15Å; L133-F176 HydrophobicContact CD2-CD2 4.05Å; L133-F176 HydrophobicContact CD2-CE2 3.85Å; L133-F176 HydrophobicContact CD2-CZ 4.48Å; V172-F176 HydrophobicContact CG1-CD2 4.44Å; V172-F176 PolarHBondContact O-N 2.92Å; F176-G178 PolarHBondContact O-N 2.94Å; F176-L200 HydrophobicContact CB-CB 4.41Å; F176-L200 HydrophobicContact CB-CD2 4.16Å; F176-P252 VanDerWaalsContact O-CB 3.29Å; F176-P252 WeakPolarHBondContact O-CB 3.41Å; F176-I254 HydrophobicContact CD1-CB 3.96Å; F176-I254 HydrophobicContact CD1-CG2 4.01Å; F176-I254 HydrophobicContact CE1-CB 3.76Å; F176-I254 HydrophobicContact CE1-CD1 4.46Å; F176-I254 HydrophobicContact CE1-CG2 3.47Å; F176-I254 VanDerWaalsContact CE1-CG2 3.47Å; F176-I254 HydrophobicContact CZ-CB 4.41Å; F176-I254 HydrophobicContact CZ-CD1 4.33Å; F176-I254 HydrophobicContact CZ-CG2 4.28Å; F176-F365 HydrophobicContact CE1-CD1 4.25Å; F176-F365 HydrophobicContact CE1-CE1 4.23Å
177	Q	96.9	Very high	93.9	Very high	31 Å²	31	32.9 Å²	32.9	15%	0.145	17%	0.17	C	C	.	.			trans	-79.9	116.5	-174	-168.7	-177.4	-54.8	0	0	112.5	H173 D198 F199 L200	H173-Q177 HydrophobicContact CB-CB 3.94Å; H173-Q177 PolarHBondContact CD2-OE1 3.21Å; H173-Q177 WeakPolarHBondContact O-CA 3.37Å; H173-Q177 WeakPolarHBondContact O-CB 3.35Å; H173-Q177 PolarHBondContact O-N 3.19Å; Q177-D198 HydrophobicContact CG-CB 3.94Å; Q177-D198 PolarHBondContact NE2-OD1 2.76Å; Q177-D198 PolarHBondContact NE2-OD2 2.87Å; Q177-F199 VanDerWaalsContact CA-O 3.26Å; Q177-F199 WeakPolarHBondContact CA-O 3.29Å; Q177-L200 HydrophobicContact CB-CD2 4.09Å
178	G	93.7	Very high	94.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	176	159.5	0	0	0	0	0	111.5	F176 D198 F199 K250	F176-G178 PolarHBondContact O-N 2.94Å; G178-D198 WeakPolarHBondContact O-CA 3.43Å; G178-F199 VanDerWaalsContact C-CD1 3.5Å; G178-F199 PolarHBondContact N-O 3.28Å; G178-F199 WeakPolarHBondContact O-CD1 3.37Å; G178-F199 PolarHBondContact O-N 3.39Å; G178-K250 CarbonylContact C-O 3.58Å; G178-K250 WeakPolarHBondContact CA-O 3.37Å
179	T	93.1	Very high	95.5	Very high	17 Å²	17	32.4 Å²	32.4	10%	0.104	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.5	177.4	-49	0	0	0	0	109.3	D196 D198 K249 K250	T179-D196 HydrophobicContact CG2-CB 3.9Å; T179-D198 WeakPolarHBondContact CB-OD1 3.29Å; T179-D198 PolarHBondContact OG1-OD1 2.91Å; T179-K249 HydrophobicContact CG2-CD 4.43Å; T179-K249 WeakPolarHBondContact O-CA 3.43Å; T179-K249 WeakPolarHBondContact O-CB 3.38Å; T179-K249 PolarHBondContact O-N 3.04Å; T179-K250 PolarHBondContact N-O 2.96Å; T179-K250 PolarHBondContact O-N 3.42Å
180	L	91.2	Very high	95.7	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.1	171.3	-60.1	172.3	0	0	0	109.5	D196 E197 F199 L202 F219 M246 K247 V248	L180-D196 CarbonylContact O-C 3.55Å; L180-D196 WeakPolarHBondContact O-CA 3.38Å; L180-E197 PolarHBondContact N-O 3.14Å; L180-E197 PolarHBondContact O-N 3.06Å; L180-F199 HydrophobicContact CD1-CD1 4.02Å; L180-F199 HydrophobicContact CD1-CE1 4.33Å; L180-F199 HydrophobicContact CD2-CD1 4.29Å; L180-F199 HydrophobicContact CD2-CE1 3.77Å; L180-F199 HydrophobicContact CG-CD1 3.62Å; L180-F199 HydrophobicContact CG-CE1 3.6Å; L180-L202 HydrophobicContact CD1-CD2 3.8Å; L180-L202 HydrophobicContact CD2-CD2 4.37Å; L180-L202 HydrophobicContact CG-CD2 4.39Å; L180-F219 HydrophobicContact CD1-CE1 3.54Å; L180-F219 HydrophobicContact CD1-CZ 3.47Å; L180-F219 VanDerWaalsContact CD1-CZ 3.47Å; L180-F219 HydrophobicContact CD2-CE1 3.81Å; L180-F219 HydrophobicContact CG-CE1 4.31Å; L180-M246 HydrophobicContact CB-CE 4.4Å; L180-M246 HydrophobicContact CD1-CE 3.49Å; L180-M246 VanDerWaalsContact CD1-CE 3.49Å; L180-K247 CarbonylContact C-O 3.55Å; L180-K247 WeakPolarHBondContact CA-O 3.37Å; L180-V248 HydrophobicContact CD2-CB 4.34Å; L180-V248 HydrophobicContact CD2-CG2 3.9Å
181	T	91.6	Very high	95.7	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	111.5	166.9	-56.6	0	0	0	0	108.6	E183 D196 K247 K249	T181-E183 HydrophobicContact CG2-CG 3.98Å; T181-D196 WeakPolarHBondContact CB-OD1 3.46Å; T181-D196 WeakPolarHBondContact CG2-OD1 3.37Å; T181-D196 PolarHBondContact OG1-OD1 2.84Å; T181-K247 PolarHBondContact N-O 3.04Å; T181-K247 PolarHBondContact O-N 3.3Å; T181-K249 WeakPolarHBondContact OG1-CD 3.29Å
182	N	91.2	Very high	95.6	Very high	22 Å²	22	39.5 Å²	39.5	12%	0.118	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	113	172.7	-176	9.5	0	0	0	108.9	S194 K195 K244	N182-S194 WeakPolarHBondContact O-CA 3.46Å; N182-K195 PolarHBondContact N-O 2.88Å; N182-K195 PolarHBondContact O-N 2.95Å; N182-K244 WeakPolarHBondContact ND2-CE 3.36Å; N182-K244 VanDerWaalsContact OD1-CE 3.22Å; N182-K244 WeakPolarHBondContact OD1-CE 3.47Å; N182-K244 WeakPolarHBondContact OD1-CG 3.49Å
183	E	92.9	Very high	95.4	Very high	25 Å²	25	41.6 Å²	41.6	12%	0.117	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.6	178	-62.1	-173.2	176.5	0	0	109.9	T181 I192 S193 K244 R245 K247	T181-E183 HydrophobicContact CG2-CG 3.98Å; E183-I192 HydrophobicContact CB-CG2 4.34Å; E183-S193 CarbonylContact C-O 3.55Å; E183-S193 WeakPolarHBondContact CA-O 3.33Å; E183-K244 CarbonylContact O-C 3.5Å; E183-K244 WeakPolarHBondContact O-CA 3.37Å; E183-R245 HydrophobicContact CB-CG 3.94Å; E183-R245 PolarHBondContact N-O 3.33Å; E183-R245 PolarHBondContact O-N 2.91Å; E183-R245 IonicContact OE2-CZ 3.27Å; E183-R245 IonicContact OE2-NE 3.05Å; E183-R245 PolarHBondContact OE2-NE 3.31Å; E183-R245 IonicContact OE2-NH2 2.87Å; E183-R245 PolarHBondContact OE2-NH2 3.09Å; E183-K247 WeakPolarHBondContact OE1-CE 3.48Å; E183-K247 IonicContact OE1-NZ 2.82Å; E183-K247 PolarHBondContact OE1-NZ 2.69Å; E183-K247 WeakPolarHBondContact OE2-CE 3.37Å; E183-K247 IonicContact OE2-NZ 3.17Å; E183-K247 PolarHBondContact OE2-NZ 2.73Å
184	T	94.9	Very high	95.1	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.074	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.2	174.3	-55.9	0	0	0	0	109.3	I192 S193 Y231 A242 H243	T184-I192 CarbonylContact O-C 3.45Å; T184-I192 WeakPolarHBondContact O-CA 3.38Å; T184-S193 PolarHBondContact N-O 2.75Å; T184-S193 PolarHBondContact O-N 3.41Å; T184-S193 PolarHBondContact O-OG 2.91Å; T184-Y231 HydrophobicContact CG2-CD1 3.82Å; T184-Y231 HydrophobicContact CG2-CD2 3.89Å; T184-Y231 HydrophobicContact CG2-CE1 4.1Å; T184-Y231 HydrophobicContact CG2-CE2 4.19Å; T184-Y231 HydrophobicContact CG2-CG 3.7Å; T184-A242 HydrophobicContact CG2-CB 3.76Å; T184-H243 CarbonylContact C-O 3.57Å; T184-H243 WeakPolarHBondContact CA-O 3.28Å
185	R	96.8	Very high	94.9	Very high	95 Å²	95	44.7 Å²	44.7	36%	0.358	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	117.8	176	-176.3	179.1	-171.4	-151	0.1	109.7	L187 E190 T191 I192 A242 H243	R185-L187 PolarHBondContact O-N 3.07Å; R185-E190 IonicContact NH2-OE1 3.94Å; R185-E190 PolarHBondContact NH2-OE1 3.11Å; R185-E190 IonicContact NH2-OE2 3.42Å; R185-E190 PolarHBondContact NH2-OE2 2.91Å; R185-T191 WeakPolarHBondContact CA-O 3.35Å; R185-I192 HydrophobicContact CB-CG1 4.02Å; R185-I192 HydrophobicContact CG-CG1 3.91Å; R185-A242 CarbonylContact O-C 3.5Å; R185-A242 WeakPolarHBondContact O-CA 3.34Å; R185-A242 WeakPolarHBondContact O-CB 3.41Å; R185-H243 HydrophobicContact CB-CB 4.4Å; R185-H243 PolarHBondContact N-O 2.85Å; R185-H243 PolarHBondContact O-N 2.78Å
186	C	97.1	Very high	94.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	129.8	170.9	179.4	0	0	0	0	110.3	T188 E190 T191 C233	C186-T188 VanDerWaalsContact C-N 3.26Å; C186-T188 PolarHBondContact O-N 3.46Å; C186-T188 PolarHBondContact SG-N 3.41Å; C186-E190 WeakPolarHBondContact O-CA 3.45Å; C186-E190 PolarHBondContact O-N 3.38Å; C186-T191 PolarHBondContact N-O 3.23Å; C186-C233 HydrophobicContact CB-CB 4.27Å
187	L	97.2	Very high	94.4	Very high	67 Å²	67	51.4 Å²	51.4	35%	0.351	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.2	179.1	-64.2	-176.7	0	0	0	113.9	R185 E241 H243	R185-L187 PolarHBondContact O-N 3.07Å; L187-E241 HydrophobicContact CB-CB 4.4Å; L187-E241 WeakPolarHBondContact CB-O 3.27Å; L187-E241 HydrophobicContact CD1-CB 4Å; L187-E241 PolarHBondContact N-O 3.49Å; L187-H243 HydrophobicContact CD2-CB 4.39Å
188	T	96.6	Very high	94.3	Very high	89 Å²	89	54.3 Å²	54.3	55%	0.546	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-52.4	178.3	-59.4	0	0	0	0	112.5	C186 Q240	C186-T188 VanDerWaalsContact C-N 3.26Å; C186-T188 PolarHBondContact O-N 3.46Å; C186-T188 PolarHBondContact SG-N 3.41Å; T188-Q240 PolarHBondContact OG1-OE1 3.45Å
189	C	97	Very high	94.4	Very high	49 Å²	49	55.4 Å²	55.4	33%	0.331	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-2.7	-178.5	68	0	0	0	0	114	T191	C189-T191 PolarHBondContact O-N 3.46Å; C189-T191 PolarHBondContact SG-OG1 3.42Å
190	E	96.8	Very high	94.6	Very high	124 Å²	124	55.3 Å²	55.3	58%	0.579	29%	0.292	S	S	*	.			trans	63.3	1.4	-177.8	-50.1	-159.7	156.8	0	0	116.7	R185 C186 I192	R185-E190 IonicContact NH2-OE1 3.94Å; R185-E190 PolarHBondContact NH2-OE1 3.11Å; R185-E190 IonicContact NH2-OE2 3.42Å; R185-E190 PolarHBondContact NH2-OE2 2.91Å; C186-E190 WeakPolarHBondContact O-CA 3.45Å; C186-E190 PolarHBondContact O-N 3.38Å; E190-I192 PolarHBondContact O-N 2.76Å
191	T	96.7	Very high	94.9	Very high	60 Å²	60	55.9 Å²	55.9	37%	0.368	30%	0.295	S	S	.	.			trans	-57.2	132.5	174.3	-53.8	0	0	0	0	110.8	R185 C186 C189 E235	R185-T191 WeakPolarHBondContact CA-O 3.35Å; C186-T191 PolarHBondContact N-O 3.23Å; C189-T191 PolarHBondContact O-N 3.46Å; C189-T191 PolarHBondContact SG-OG1 3.42Å; T191-E235 HydrophobicContact CG2-CG 3.86Å
192	I	95.1	Very high	95	Very high	87 Å²	87	55.9 Å²	55.9	45%	0.446	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.3	176.8	-57.9	176.2	0	0	0	108.5	E183 T184 R185 E190	E183-I192 HydrophobicContact CB-CG2 4.34Å; T184-I192 CarbonylContact O-C 3.45Å; T184-I192 WeakPolarHBondContact O-CA 3.38Å; R185-I192 HydrophobicContact CB-CG1 4.02Å; R185-I192 HydrophobicContact CG-CG1 3.91Å; E190-I192 PolarHBondContact O-N 2.76Å
193	S	93.4	Very high	95.2	Very high	44 Å²	44	56.5 Å²	56.5	31%	0.308	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.2	165.5	65.1	0	0	0	0	109.3	E183 T184 Y231	E183-S193 CarbonylContact C-O 3.55Å; E183-S193 WeakPolarHBondContact CA-O 3.33Å; T184-S193 PolarHBondContact N-O 2.75Å; T184-S193 PolarHBondContact O-N 3.41Å; T184-S193 PolarHBondContact O-OG 2.91Å; S193-Y231 PolarHBondContact OG-OH 3.12Å
194	S	92.8	Very high	95.2	Very high	74 Å²	74	55.3 Å²	55.3	52%	0.517	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.7	176.6	-58.6	0	0	0	0	109.8	N182	N182-S194 WeakPolarHBondContact O-CA 3.46Å
195	K	92.7	Very high	95	Very high	125 Å²	125	59.9 Å²	59.9	54%	0.543	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.2	176.3	-176.2	-173.7	171.4	-149	0	109.7	N182 E197	N182-K195 PolarHBondContact N-O 2.88Å; N182-K195 PolarHBondContact O-N 2.95Å; K195-E197 HydrophobicContact CD-CG 4.33Å; K195-E197 HydrophobicContact CG-CG 4.37Å; K195-E197 IonicContact NZ-OE1 4Å; K195-E197 PolarHBondContact NZ-OE1 3.47Å
196	D	93.2	Very high	94.8	Very high	76 Å²	76	56 Å²	56	41%	0.406	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	134.3	173	-71.1	-15.5	0	0	0	110.2	T179 L180 T181 K249	T179-D196 HydrophobicContact CG2-CB 3.9Å; L180-D196 CarbonylContact O-C 3.55Å; L180-D196 WeakPolarHBondContact O-CA 3.38Å; T181-D196 WeakPolarHBondContact CB-OD1 3.46Å; T181-D196 WeakPolarHBondContact CG2-OD1 3.37Å; T181-D196 PolarHBondContact OG1-OD1 2.84Å; D196-K249 IonicContact OD1-NZ 3.77Å; D196-K249 WeakPolarHBondContact OD2-CE 3.29Å; D196-K249 IonicContact OD2-NZ 3.68Å; D196-K249 PolarHBondContact OD2-NZ 3.28Å
197	E	92.3	Very high	94.6	Very high	68 Å²	68	62.2 Å²	62.2	32%	0.318	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.9	179.1	-64.2	-174.9	160.3	0	0	109	L180 K195	L180-E197 PolarHBondContact N-O 3.14Å; L180-E197 PolarHBondContact O-N 3.06Å; K195-E197 HydrophobicContact CD-CG 4.33Å; K195-E197 HydrophobicContact CG-CG 4.37Å; K195-E197 IonicContact NZ-OE1 4Å; K195-E197 PolarHBondContact NZ-OE1 3.47Å
198	D	94.8	Very high	94.5	Very high	92 Å²	92	62 Å²	62	49%	0.492	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	151.6	176.7	-70.7	-43.3	0	0	0	111.4	Q177 G178 T179	Q177-D198 HydrophobicContact CG-CB 3.94Å; Q177-D198 PolarHBondContact NE2-OD1 2.76Å; Q177-D198 PolarHBondContact NE2-OD2 2.87Å; G178-D198 WeakPolarHBondContact O-CA 3.43Å; T179-D198 WeakPolarHBondContact CB-OD1 3.29Å; T179-D198 PolarHBondContact OG1-OD1 2.91Å
199	F	95.2	Very high	94.5	Very high	22 Å²	22	62.1 Å²	62.1	10%	0.096	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.3	177.7	66.9	-91.4	0	0	0	111.3	Q177 G178 L180 D201 L202 P252 L255	Q177-F199 VanDerWaalsContact CA-O 3.26Å; Q177-F199 WeakPolarHBondContact CA-O 3.29Å; G178-F199 VanDerWaalsContact C-CD1 3.5Å; G178-F199 PolarHBondContact N-O 3.28Å; G178-F199 WeakPolarHBondContact O-CD1 3.37Å; G178-F199 PolarHBondContact O-N 3.39Å; L180-F199 HydrophobicContact CD1-CD1 4.02Å; L180-F199 HydrophobicContact CD1-CE1 4.33Å; L180-F199 HydrophobicContact CD2-CD1 4.29Å; L180-F199 HydrophobicContact CD2-CE1 3.77Å; L180-F199 HydrophobicContact CG-CD1 3.62Å; L180-F199 HydrophobicContact CG-CE1 3.6Å; F199-D201 WeakPolarHBondContact CD2-O 3.24Å; F199-L202 HydrophobicContact CB-CD2 4.44Å; F199-L202 HydrophobicContact CD1-CD2 3.89Å; F199-L202 HydrophobicContact CD2-CD2 3.58Å; F199-L202 HydrophobicContact CD2-CG 3.82Å; F199-L202 HydrophobicContact CE1-CD2 3.92Å; F199-L202 HydrophobicContact CE2-CD1 4.11Å; F199-L202 HydrophobicContact CE2-CD2 3.64Å; F199-L202 HydrophobicContact CE2-CG 3.55Å; F199-L202 HydrophobicContact CG-CD2 3.7Å; F199-L202 HydrophobicContact CG-CG 4.44Å; F199-L202 HydrophobicContact CZ-CD1 4.08Å; F199-L202 HydrophobicContact CZ-CD2 3.79Å; F199-L202 HydrophobicContact CZ-CG 3.94Å; F199-P252 HydrophobicContact CE2-CG 4.35Å; F199-L255 HydrophobicContact CE2-CD1 4.08Å
200	L	97.7	Very high	94.3	Very high	16 Å²	16	60.6 Å²	60.6	8%	0.084	32%	0.319	C	S	.	.	S	Bend	trans	-101.2	-20.7	170.9	-59.6	-178.2	0	0	0	112.7	L133 F176 Q177	L133-L200 HydrophobicContact CB-CD1 4.05Å; L133-L200 HydrophobicContact CD1-CB 4.49Å; F176-L200 HydrophobicContact CB-CB 4.41Å; F176-L200 HydrophobicContact CB-CD2 4.16Å; Q177-L200 HydrophobicContact CB-CD2 4.09Å
201	D	97.1	Very high	94.2	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.107	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161.6	171	79.3	-100	0	0	0	110.3	H126 N130 F199 S203 A256	H126-D201 IonicContact CD2-OD1 3.31Å; H126-D201 IonicContact CD2-OD2 2.78Å; H126-D201 IonicContact CE1-OD1 3.05Å; H126-D201 IonicContact CE1-OD2 2.65Å; H126-D201 IonicContact NE2-OD1 3.05Å; H126-D201 PolarHBondContact NE2-OD1 3.17Å; H126-D201 IonicContact NE2-OD2 2.82Å; H126-D201 PolarHBondContact NE2-OD2 2.81Å; N130-D201 PolarHBondContact ND2-OD1 2.8Å; N130-D201 PolarHBondContact OD1-OD1 2.89Å; F199-D201 WeakPolarHBondContact CD2-O 3.24Å; D201-S203 PolarHBondContact OD2-N 3.26Å; D201-S203 PolarHBondContact OD2-OG 3.06Å; D201-S203 VanDerWaalsContact OD2-OG 3.13Å; D201-A256 CarbonylContact C-O 3.58Å; D201-A256 VanDerWaalsContact CA-O 3.28Å; D201-A256 WeakPolarHBondContact CA-O 3.21Å; D201-A256 HydrophobicContact CB-CB 3.78Å; D201-A256 WeakPolarHBondContact CB-O 3.11Å
202	L	94.3	Very high	94.1	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.037	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.2	168.1	-62.6	177.5	0	0	0	109.8	L180 F199 V204 L216 F219 L255 A256 L257 H258	L180-L202 HydrophobicContact CD1-CD2 3.8Å; L180-L202 HydrophobicContact CD2-CD2 4.37Å; L180-L202 HydrophobicContact CG-CD2 4.39Å; F199-L202 HydrophobicContact CB-CD2 4.44Å; F199-L202 HydrophobicContact CD1-CD2 3.89Å; F199-L202 HydrophobicContact CD2-CD2 3.58Å; F199-L202 HydrophobicContact CD2-CG 3.82Å; F199-L202 HydrophobicContact CE1-CD2 3.92Å; F199-L202 HydrophobicContact CE2-CD1 4.11Å; F199-L202 HydrophobicContact CE2-CD2 3.64Å; F199-L202 HydrophobicContact CE2-CG 3.55Å; F199-L202 HydrophobicContact CG-CD2 3.7Å; F199-L202 HydrophobicContact CG-CG 4.44Å; F199-L202 HydrophobicContact CZ-CD1 4.08Å; F199-L202 HydrophobicContact CZ-CD2 3.79Å; F199-L202 HydrophobicContact CZ-CG 3.94Å; L202-V204 HydrophobicContact CB-CG1 4.45Å; L202-V204 PolarHBondContact O-N 2.72Å; L202-L216 HydrophobicContact CD1-CD2 4.12Å; L202-F219 HydrophobicContact CD2-CE1 4.39Å; L202-F219 HydrophobicContact CD2-CZ 4.05Å; L202-L255 HydrophobicContact CD1-CD1 4.05Å; L202-L255 HydrophobicContact CG-CD1 4.28Å; L202-A256 PolarHBondContact N-O 2.88Å; L202-L257 HydrophobicContact CB-CD2 3.82Å; L202-L257 HydrophobicContact CD1-CD2 4.24Å; L202-L257 HydrophobicContact CG-CD2 4.45Å; L202-L257 WeakPolarHBondContact O-CA 3.32Å; L202-H258 PolarHBondContact O-N 2.89Å
203	S	94.4	Very high	93.9	Very high	34 Å²	34	51.3 Å²	51.3	24%	0.238	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	109.1	170.7	-66.9	0	0	0	0	110.2	H126 D201 H258 K260	H126-S203 PolarHBondContact CE1-OG 3.31Å; H126-S203 VanDerWaalsContact CE1-OG 3.31Å; D201-S203 PolarHBondContact OD2-N 3.26Å; D201-S203 PolarHBondContact OD2-OG 3.06Å; D201-S203 VanDerWaalsContact OD2-OG 3.13Å; S203-H258 CarbonylContact C-O 3.55Å; S203-H258 WeakPolarHBondContact CA-O 3.19Å; S203-H258 PolarHBondContact OG-ND1 3.1Å; S203-K260 VanDerWaalsContact O-CE 3.29Å; S203-K260 WeakPolarHBondContact O-CE 3.42Å
204	V	92.7	Very high	93.7	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.2	-174.2	-60.8	0	0	0	0	112.2	L202 I212 C215 L216 H258 L259 K260	L202-V204 HydrophobicContact CB-CG1 4.45Å; L202-V204 PolarHBondContact O-N 2.72Å; V204-I212 HydrophobicContact CG2-CD1 3.64Å; V204-C215 HydrophobicContact CB-CB 4.37Å; V204-C215 HydrophobicContact CG2-CB 4.4Å; V204-L216 HydrophobicContact CG1-CD2 3.75Å; V204-H258 WeakPolarHBondContact CG2-O 3.19Å; V204-H258 PolarHBondContact N-O 2.84Å; V204-L259 HydrophobicContact CG2-CD2 3.39Å; V204-K260 WeakPolarHBondContact O-CB 3.42Å; V204-K260 WeakPolarHBondContact O-CG 3.11Å; V204-K260 PolarHBondContact O-N 3.32Å
205	D	91.7	Very high	93.5	Very high	107 Å²	107	51.2 Å²	51.2	57%	0.572	26%	0.264	S	S	*	.			trans	-72	145	172.3	-66.6	-76.6	0	0	0	110.9	C215 K260	D205-C215 PolarHBondContact O-SG 2.91Å; D205-K260 VanDerWaalsContact OD1-CD 3.31Å; D205-K260 WeakPolarHBondContact OD1-CD 3.11Å; D205-K260 IonicContact OD1-NZ 3.53Å; D205-K260 IonicContact OD2-NZ 2.76Å; D205-K260 PolarHBondContact OD2-NZ 3.16Å
206	V	92.9	Very high	93.1	Very high	13 Å²	13	46 Å²	46	8%	0.079	24%	0.242	C	C	.	.			trans	-120.8	143.3	-174.8	-65	0	0	0	0	112	L259 R261 L274 Y276 V278	V206-L259 HydrophobicContact CG1-CB 3.87Å; V206-L259 HydrophobicContact CG1-CD1 4.48Å; V206-L259 HydrophobicContact CG1-CD2 4.33Å; V206-L259 HydrophobicContact CG1-CG 4.45Å; V206-R261 HydrophobicContact CG2-CG 4.27Å; V206-L274 HydrophobicContact CG2-CB 4.35Å; V206-L274 HydrophobicContact CG2-CD1 3.9Å; V206-Y276 HydrophobicContact CG2-CD2 4.31Å; V206-V278 HydrophobicContact CB-CG2 3.96Å; V206-V278 HydrophobicContact CG1-CG2 3.97Å
207	E	92.7	Very high	92.6	Very high	131 Å²	131	50.4 Å²	50.4	61%	0.612	25%	0.253	S	S	*	.			trans	-125.5	161.1	176.1	-65.3	-176.4	177	0	0	110.3	T210	E207-T210 HydrophobicContact CB-CG2 4.42Å; E207-T210 WeakPolarHBondContact O-CG2 3.32Å
208	Q	94.9	Very high	91.8	Very high	62 Å²	62	48.7 Å²	48.7	29%	0.29	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	135	-180	179.3	60	-20.5	0	0	111.6	Y276 L350 T351	Q208-Y276 HydrophobicContact CB-CD1 4.08Å; Q208-Y276 HydrophobicContact CB-CD2 4.49Å; Q208-Y276 HydrophobicContact CB-CE1 4.45Å; Q208-Y276 HydrophobicContact CB-CG 4.12Å; Q208-Y276 VanDerWaalsContact OE1-CB 3.25Å; Q208-L350 PolarHBondContact NE2-O 3.33Å; Q208-T351 PolarHBondContact NE2-O 2.84Å; Q208-T351 VanDerWaalsContact NE2-O 3.11Å
209	N	95.2	Very high	90.8	Very high	93 Å²	93	46.5 Å²	46.5	50%	0.497	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	42.4	179.5	-62.2	-38.9	0	0	0	114.2	R277	N209-R277 VanDerWaalsContact CA-O 3.31Å; N209-R277 WeakPolarHBondContact CA-O 3.05Å; N209-R277 PolarHBondContact N-O 3.19Å; N209-R277 VanDerWaalsContact N-O 3.1Å
210	T	94.6	Very high	90	Very high	17 Å²	17	46.9 Å²	46.9	10%	0.104	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-175.5	177.9	-162	0	0	0	0	112.5	E207 H214 C215 R277 V278 V279	E207-T210 HydrophobicContact CB-CG2 4.42Å; E207-T210 WeakPolarHBondContact O-CG2 3.32Å; T210-H214 PolarHBondContact OG1-CD2 2.89Å; T210-H214 VanDerWaalsContact OG1-CD2 3.3Å; T210-C215 VanDerWaalsContact CG2-SG 3.56Å; T210-R277 PolarHBondContact N-O 2.8Å; T210-V278 HydrophobicContact CG2-CB 4.45Å; T210-V278 HydrophobicContact CG2-CG1 4.04Å; T210-V278 HydrophobicContact CG2-CG2 4.08Å; T210-V278 WeakPolarHBondContact O-CA 3.49Å; T210-V279 PolarHBondContact O-N 3.25Å
211	S	94.7	Very high	89.3	Confident	36 Å²	36	51.5 Å²	51.5	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.1	170.7	64.5	0	0	0	0	110.9	T213 H214 C215 V279	S211-T213 PolarHBondContact O-N 2.77Å; S211-H214 WeakPolarHBondContact O-CA 3.29Å; S211-H214 WeakPolarHBondContact O-CB 3.49Å; S211-H214 PolarHBondContact O-N 3.17Å; S211-H214 WeakPolarHBondContact OG-CB 3.4Å; S211-H214 PolarHBondContact OG-N 2.9Å; S211-C215 PolarHBondContact O-N 3.3Å; S211-V279 CarbonylContact C-O 3.54Å; S211-V279 WeakPolarHBondContact CA-O 3.49Å; S211-V279 WeakPolarHBondContact CB-O 3.42Å
212	I	93.4	Very high	88.9	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-35.1	176	-164.4	52.7	0	0	0	111.9	V204 H214 C215 L216 L257 L259 V279 F280 P281 L284 L364	V204-I212 HydrophobicContact CG2-CD1 3.64Å; I212-H214 VanDerWaalsContact C-N 3.27Å; I212-H214 PolarHBondContact O-N 3.46Å; I212-C215 HydrophobicContact CD1-CB 4.23Å; I212-C215 PolarHBondContact O-N 3.27Å; I212-L216 HydrophobicContact CG1-CD1 4.28Å; I212-L216 WeakPolarHBondContact O-CB 3.49Å; I212-L216 WeakPolarHBondContact O-CG 3.39Å; I212-L216 PolarHBondContact O-N 2.86Å; I212-L257 HydrophobicContact CD1-CD1 4.05Å; I212-L257 HydrophobicContact CG1-CD1 3.53Å; I212-L259 HydrophobicContact CD1-CD2 3.41Å; I212-L259 VanDerWaalsContact CD1-CD2 3.41Å; I212-V279 PolarHBondContact N-O 3.09Å; I212-F280 HydrophobicContact CB-CB 4.39Å; I212-F280 HydrophobicContact CG2-CB 4.08Å; I212-P281 VanDerWaalsContact CG2-CD 3.41Å; I212-P281 HydrophobicContact CG2-CG 4.4Å; I212-L284 HydrophobicContact CG2-CD1 4.25Å; I212-L364 HydrophobicContact CB-CD1 4.44Å; I212-L364 HydrophobicContact CD1-CD1 4.4Å; I212-L364 HydrophobicContact CG1-CD1 4.03Å
213	T	91.1	Very high	88.8	Confident	39 Å²	39	59 Å²	59	24%	0.239	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-39.5	173.6	-49.7	0	0	0	0	111.2	S211 R217 L284	S211-T213 PolarHBondContact O-N 2.77Å; T213-R217 WeakPolarHBondContact O-CG 3.03Å; T213-R217 PolarHBondContact O-N 3.31Å; T213-L284 WeakPolarHBondContact OG1-CD1 3.44Å
214	H	90.1	Very high	88.8	Confident	104 Å²	104	60.8 Å²	60.8	48%	0.481	32%	0.319	S	S	.	.	H	α-helix	trans	-71.3	-45.1	175.3	-173.7	84.7	0	0	0	111.6	T210 S211 I212 L216 R217 G218	T210-H214 PolarHBondContact OG1-CD2 2.89Å; T210-H214 VanDerWaalsContact OG1-CD2 3.3Å; S211-H214 WeakPolarHBondContact O-CA 3.29Å; S211-H214 WeakPolarHBondContact O-CB 3.49Å; S211-H214 PolarHBondContact O-N 3.17Å; S211-H214 WeakPolarHBondContact OG-CB 3.4Å; S211-H214 PolarHBondContact OG-N 2.9Å; I212-H214 VanDerWaalsContact C-N 3.27Å; I212-H214 PolarHBondContact O-N 3.46Å; H214-L216 VanDerWaalsContact C-N 3.3Å; H214-L216 PolarHBondContact O-N 3.4Å; H214-R217 WeakPolarHBondContact O-CB 3.34Å; H214-R217 PolarHBondContact O-N 3.46Å; H214-R217 VanDerWaalsContact O-N 3.14Å; H214-G218 PolarHBondContact O-N 3.11Å
215	C	87.9	Confident	88.8	Confident	13 Å²	13	61.8 Å²	61.8	9%	0.088	32%	0.324	C	S	.	.	H	α-helix	trans	-55.5	-43.6	175.3	-69.1	0	0	0	0	112.1	V204 D205 T210 S211 I212 G218 F219	V204-C215 HydrophobicContact CB-CB 4.37Å; V204-C215 HydrophobicContact CG2-CB 4.4Å; D205-C215 PolarHBondContact O-SG 2.91Å; T210-C215 VanDerWaalsContact CG2-SG 3.56Å; S211-C215 PolarHBondContact O-N 3.3Å; I212-C215 HydrophobicContact CD1-CB 4.23Å; I212-C215 PolarHBondContact O-N 3.27Å; C215-G218 CarbonylContact O-C 3.55Å; C215-G218 WeakPolarHBondContact O-CA 3.42Å; C215-G218 PolarHBondContact O-N 3.25Å; C215-F219 PolarHBondContact O-N 2.76Å
216	L	84.3	Confident	88.9	Confident	15 Å²	15	59.2 Å²	59.2	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-70.7	-30.9	178.3	-72.2	172	0	0	0	113.4	L202 V204 I212 H214 F219 L257 L284 L286	L202-L216 HydrophobicContact CD1-CD2 4.12Å; V204-L216 HydrophobicContact CG1-CD2 3.75Å; I212-L216 HydrophobicContact CG1-CD1 4.28Å; I212-L216 WeakPolarHBondContact O-CB 3.49Å; I212-L216 WeakPolarHBondContact O-CG 3.39Å; I212-L216 PolarHBondContact O-N 2.86Å; H214-L216 VanDerWaalsContact C-N 3.3Å; H214-L216 PolarHBondContact O-N 3.4Å; L216-F219 WeakPolarHBondContact O-CB 3.46Å; L216-F219 PolarHBondContact O-N 2.83Å; L216-L257 HydrophobicContact CD1-CD1 3.82Å; L216-L257 HydrophobicContact CD1-CD2 4.35Å; L216-L257 HydrophobicContact CD2-CD2 3.91Å; L216-L284 HydrophobicContact CD1-CD2 3.97Å; L216-L286 HydrophobicContact CB-CD2 4.38Å; L216-L286 HydrophobicContact CD1-CD1 4.1Å; L216-L286 HydrophobicContact CD1-CD2 3.56Å; L216-L286 HydrophobicContact CD1-CG 4.46Å
217	R	81.6	Confident	88.9	Confident	169 Å²	169	63 Å²	63	64%	0.638	34%	0.341	S	S	*	.	H	α-helix	trans	-66.3	-43.4	168.7	-73.5	173.8	-176.9	-176.1	1.8	110.6	T213 H214 F219 S220 N221	T213-R217 WeakPolarHBondContact O-CG 3.03Å; T213-R217 PolarHBondContact O-N 3.31Å; H214-R217 WeakPolarHBondContact O-CB 3.34Å; H214-R217 PolarHBondContact O-N 3.46Å; H214-R217 VanDerWaalsContact O-N 3.14Å; R217-F219 VanDerWaalsContact C-N 3.25Å; R217-F219 PolarHBondContact O-N 3.26Å; R217-S220 PolarHBondContact O-N 3.36Å; R217-N221 PolarHBondContact O-N 3.3Å; R217-N221 PolarHBondContact O-OD1 3.12Å
218	G	75.9	Confident	88.9	Confident	32 Å²	32	63.8 Å²	63.8	33%	0.33	34%	0.344	S	S	.	.	H	α-helix	trans	-57.6	-37.2	173.9	0	0	0	0	0	113	H214 C215 S220 N221	H214-G218 PolarHBondContact O-N 3.11Å; C215-G218 CarbonylContact O-C 3.55Å; C215-G218 WeakPolarHBondContact O-CA 3.42Å; C215-G218 PolarHBondContact O-N 3.25Å; G218-S220 PolarHBondContact O-N 3.11Å; G218-N221 VanDerWaalsContact O-CB 3.25Å; G218-N221 WeakPolarHBondContact O-CB 3.44Å; G218-N221 PolarHBondContact O-N 3.4Å
219	F	73.8	Confident	88.8	Confident	45 Å²	45	68.7 Å²	68.7	20%	0.197	36%	0.361	C	S	.	.	H	α-helix	trans	-57.6	-28.9	175.3	-171.7	-91.5	0	0	0	113.2	L180 L202 C215 L216 R217 M246	L180-F219 HydrophobicContact CD1-CE1 3.54Å; L180-F219 HydrophobicContact CD1-CZ 3.47Å; L180-F219 VanDerWaalsContact CD1-CZ 3.47Å; L180-F219 HydrophobicContact CD2-CE1 3.81Å; L180-F219 HydrophobicContact CG-CE1 4.31Å; L202-F219 HydrophobicContact CD2-CE1 4.39Å; L202-F219 HydrophobicContact CD2-CZ 4.05Å; C215-F219 PolarHBondContact O-N 2.76Å; L216-F219 WeakPolarHBondContact O-CB 3.46Å; L216-F219 PolarHBondContact O-N 2.83Å; R217-F219 VanDerWaalsContact C-N 3.25Å; R217-F219 PolarHBondContact O-N 3.26Å; F219-M246 HydrophobicContact CD1-CB 4.42Å; F219-M246 HydrophobicContact CE1-CB 3.97Å; F219-M246 HydrophobicContact CE1-CE 4.33Å; F219-M246 HydrophobicContact CE1-SD 4.13Å; F219-M246 HydrophobicContact CE2-SD 4.33Å; F219-M246 HydrophobicContact CZ-CE 3.89Å; F219-M246 HydrophobicContact CZ-SD 3.78Å
220	S	78.5	Confident	88.8	Confident	31 Å²	31	67.6 Å²	67.6	22%	0.217	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	3.2	177.6	-50.7	0	0	0	0	114	R217 G218 M246	R217-S220 PolarHBondContact O-N 3.36Å; G218-S220 PolarHBondContact O-N 3.11Å; S220-M246 VanDerWaalsContact CA-O 3.26Å; S220-M246 WeakPolarHBondContact CA-O 3.15Å; S220-M246 WeakPolarHBondContact CB-O 3.41Å
221	N	83.6	Confident	88.8	Confident	112 Å²	112	69.7 Å²	69.7	60%	0.599	36%	0.359	S	S	*	.	S	Bend	trans	-66.8	154	177.8	-75.6	-14.1	0	0	0	111.1	R217 G218 E223	R217-N221 PolarHBondContact O-N 3.3Å; R217-N221 PolarHBondContact O-OD1 3.12Å; G218-N221 VanDerWaalsContact O-CB 3.25Å; G218-N221 WeakPolarHBondContact O-CB 3.44Å; G218-N221 PolarHBondContact O-N 3.4Å; N221-E223 PolarHBondContact O-N 3.08Å
222	T	88.8	Confident	88.9	Confident	73 Å²	73	74.2 Å²	74.2	45%	0.448	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-79.6	117.8	174.2	-58.7	0	0	0	0	109.7	H243 K244	T222-H243 HydrophobicContact CG2-CB 3.51Å; T222-K244 CarbonylContact C-O 3.55Å; T222-K244 WeakPolarHBondContact CA-O 3.34Å
223	E	91.1	Very high	89	Confident	111 Å²	111	74.4 Å²	74.4	52%	0.519	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.4	169	-177	-177.3	-166.7	0	0	109.5	N221 L225 H243 K244	N221-E223 PolarHBondContact O-N 3.08Å; E223-L225 HydrophobicContact CG-CD2 4.25Å; E223-H243 CarbonylContact O-C 3.59Å; E223-H243 WeakPolarHBondContact O-CA 3.17Å; E223-K244 PolarHBondContact N-O 3.15Å; E223-K244 PolarHBondContact O-N 2.9Å
224	T	94.6	Very high	89.2	Confident	73 Å²	73	79.7 Å²	79.7	45%	0.448	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.4	173.3	-57.1	0	0	0	0	109.7	C226 H243	T224-C226 PolarHBondContact O-N 3.49Å; T224-H243 PolarHBondContact OG1-CD2 2.87Å
225	L	93.5	Very high	89.5	Confident	22 Å²	22	81.3 Å²	81.3	12%	0.115	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	110	175.4	-58.6	-175.6	0	0	0	109.5	E223 E241 A242 K244	E223-L225 HydrophobicContact CG-CD2 4.25Å; L225-E241 VanDerWaalsContact O-CA 3.28Å; L225-E241 WeakPolarHBondContact O-CA 3.41Å; L225-A242 HydrophobicContact CB-CB 4.36Å; L225-A242 WeakPolarHBondContact CB-O 3.49Å; L225-A242 HydrophobicContact CD1-CB 4.35Å; L225-A242 PolarHBondContact N-O 3.25Å; L225-A242 PolarHBondContact O-N 3.16Å; L225-A242 VanDerWaalsContact O-N 3.16Å; L225-K244 HydrophobicContact CD1-CB 4.02Å; L225-K244 HydrophobicContact CD1-CD 4.33Å; L225-K244 HydrophobicContact CD2-CB 4.49Å; L225-K244 HydrophobicContact CG-CB 4.11Å
226	C	93.5	Very high	89.9	Confident	52 Å²	52	82.4 Å²	82.4	35%	0.351	41%	0.409	S	S	.	.			trans	-135.3	175.9	-178.9	67.4	0	0	0	0	112.1	T224 E228 Y229 E241	T224-C226 PolarHBondContact O-N 3.49Å; C226-E228 PolarHBondContact O-N 3.05Å; C226-Y229 PolarHBondContact O-N 3.3Å; C226-E241 HydrophobicContact CB-CG 4.43Å
227	S	93.2	Very high	90.5	Very high	93 Å²	93	91.5 Å²	91.5	65%	0.65	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	53.1	-119.7	177.6	-58.6	0	0	0	0	113.3	Y229 K230	S227-Y229 VanDerWaalsContact C-N 3.29Å; S227-Y229 PolarHBondContact O-N 2.97Å; S227-K230 WeakPolarHBondContact O-CG 3.34Å
228	E	93.6	Very high	91.2	Very high	147 Å²	147	85.3 Å²	85.3	69%	0.687	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-73.2	-20.1	-179.9	63.8	-162.3	156.8	0	0	113.7	C226	C226-E228 PolarHBondContact O-N 3.05Å
229	Y	92.6	Very high	92.2	Very high	166 Å²	166	90.2 Å²	90.2	65%	0.651	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-91.4	9.9	-178	-56.3	-73.1	0	0	0	113.8	C226 S227 Y231	C226-Y229 PolarHBondContact O-N 3.3Å; S227-Y229 VanDerWaalsContact C-N 3.29Å; S227-Y229 PolarHBondContact O-N 2.97Å; Y229-Y231 PolarHBondContact O-N 3.43Å
230	K	94.7	Very high	93.3	Very high	70 Å²	70	90 Å²	90	30%	0.304	44%	0.437	S	S	.	.			trans	-53.6	134.9	178.6	-77.4	-179.5	-175.7	-163.1	0	112.3	S227 K239 Q240 E241	S227-K230 WeakPolarHBondContact O-CG 3.34Å; K230-K239 HydrophobicContact CB-CB 3.91Å; K230-K239 HydrophobicContact CB-CD 4.46Å; K230-Q240 CarbonylContact C-O 3.59Å; K230-Q240 WeakPolarHBondContact CA-O 3.47Å; K230-Q240 WeakPolarHBondContact CB-O 3.33Å; K230-E241 HydrophobicContact CD-CG 4.28Å; K230-E241 HydrophobicContact CG-CG 4.2Å; K230-E241 IonicContact NZ-OE1 2.62Å
231	Y	93.7	Very high	94.2	Very high	61 Å²	61	92.4 Å²	92.4	24%	0.239	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	135.7	178.5	164.3	-110.2	0	0	0	111	T184 S193 Y229 C233 K239 Q240 A242	T184-Y231 HydrophobicContact CG2-CD1 3.82Å; T184-Y231 HydrophobicContact CG2-CD2 3.89Å; T184-Y231 HydrophobicContact CG2-CE1 4.1Å; T184-Y231 HydrophobicContact CG2-CE2 4.19Å; T184-Y231 HydrophobicContact CG2-CG 3.7Å; S193-Y231 PolarHBondContact OG-OH 3.12Å; Y229-Y231 PolarHBondContact O-N 3.43Å; Y231-C233 HydrophobicContact CD1-CB 4.07Å; Y231-C233 HydrophobicContact CE1-CB 3.78Å; Y231-C233 PolarHBondContact O-N 3.19Å; Y231-K239 CarbonylContact O-C 3.56Å; Y231-K239 WeakPolarHBondContact O-CA 3.33Å; Y231-Q240 PolarHBondContact N-O 2.8Å; Y231-Q240 PolarHBondContact O-N 2.78Å; Y231-A242 HydrophobicContact CD1-CB 4.07Å; Y231-A242 HydrophobicContact CG-CB 4.19Å
232	Y	96.5	Very high	94.9	Very high	131 Å²	131	87.1 Å²	87.1	51%	0.514	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	106.9	171.9	-174.7	-91	0	0	0	109.8	K239	Y232-K239 HydrophobicContact CD2-CG 4.48Å
233	C	96.1	Very high	95.2	Very high	3 Å²	3	86.7 Å²	86.7	2%	0.02	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.7	178.4	178	0	0	0	0	110.1	C186 Y231 E235 C236 R237 S238 Q240	C186-C233 HydrophobicContact CB-CB 4.27Å; Y231-C233 HydrophobicContact CD1-CB 4.07Å; Y231-C233 HydrophobicContact CE1-CB 3.78Å; Y231-C233 PolarHBondContact O-N 3.19Å; C233-E235 VanDerWaalsContact C-N 3.33Å; C233-E235 PolarHBondContact O-N 3.15Å; C233-C236 HydrophobicContact CB-CB 4.04Å; C233-C236 PolarHBondContact O-N 3.29Å; C233-R237 WeakPolarHBondContact O-CA 3.28Å; C233-R237 PolarHBondContact O-N 2.78Å; C233-S238 PolarHBondContact N-O 3.19Å; C233-S238 PolarHBondContact O-N 2.94Å; C233-Q240 HydrophobicContact CB-CB 4.48Å; C233-Q240 HydrophobicContact CB-CG 4.17Å
234	E	95.7	Very high	95.3	Very high	151 Å²	151	84.2 Å²	84.2	71%	0.706	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-33.9	-179.6	-63.3	-172.4	167.9	0	0	112.7	R237	E234-R237 VanDerWaalsContact O-CG 3.22Å; E234-R237 WeakPolarHBondContact O-CG 3.48Å; E234-R237 PolarHBondContact O-N 3.31Å
235	E	96.2	Very high	95.1	Very high	138 Å²	138	85.3 Å²	85.3	65%	0.645	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-44	176.3	-63.2	-58.9	149.2	0	0	112.1	T191 C233 R237	T191-E235 HydrophobicContact CG2-CG 3.86Å; C233-E235 VanDerWaalsContact C-N 3.33Å; C233-E235 PolarHBondContact O-N 3.15Å; E235-R237 VanDerWaalsContact C-N 3.3Å
236	C	96.3	Very high	94.9	Very high	35 Å²	35	86.1 Å²	86.1	24%	0.236	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-13.1	176	-61.1	0	0	0	0	113.5	C233 S238 Q240	C233-C236 HydrophobicContact CB-CB 4.04Å; C233-C236 PolarHBondContact O-N 3.29Å; C236-S238 PolarHBondContact O-N 2.89Å; C236-S238 VanDerWaalsContact O-N 3.16Å; C236-S238 PolarHBondContact O-OG 2.86Å; C236-Q240 HydrophobicContact CB-CG 3.9Å
237	R	96.4	Very high	94.6	Very high	206 Å²	206	85.2 Å²	85.2	78%	0.777	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	38.3	-173.6	-58.1	-177	179.5	-177.3	-0	113.6	C233 E234 E235	C233-R237 WeakPolarHBondContact O-CA 3.28Å; C233-R237 PolarHBondContact O-N 2.78Å; E234-R237 VanDerWaalsContact O-CG 3.22Å; E234-R237 WeakPolarHBondContact O-CG 3.48Å; E234-R237 PolarHBondContact O-N 3.31Å; E235-R237 VanDerWaalsContact C-N 3.3Å
238	S	96.6	Very high	94.2	Very high	40 Å²	40	81.6 Å²	81.6	28%	0.28	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	162.9	-174.6	49	0	0	0	0	111.6	C233 C236 Q240	C233-S238 PolarHBondContact N-O 3.19Å; C233-S238 PolarHBondContact O-N 2.94Å; C236-S238 PolarHBondContact O-N 2.89Å; C236-S238 VanDerWaalsContact O-N 3.16Å; C236-S238 PolarHBondContact O-OG 2.86Å; S238-Q240 PolarHBondContact O-N 3.08Å; S238-Q240 PolarHBondContact OG-NE2 3.2Å
239	K	97.4	Very high	94	Very high	135 Å²	135	77.2 Å²	77.2	59%	0.587	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	119.1	175	-76.6	-168	178	-170.3	0	110.5	K230 Y231 Y232	K230-K239 HydrophobicContact CB-CB 3.91Å; K230-K239 HydrophobicContact CB-CD 4.46Å; Y231-K239 CarbonylContact O-C 3.56Å; Y231-K239 WeakPolarHBondContact O-CA 3.33Å; Y232-K239 HydrophobicContact CD2-CG 4.48Å
240	Q	97.6	Very high	93.9	Very high	39 Å²	39	74 Å²	74	18%	0.182	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	156.1	-178.4	-60.8	-56.9	-21.2	0	0	111.3	T188 K230 Y231 C233 C236 S238	T188-Q240 PolarHBondContact OG1-OE1 3.45Å; K230-Q240 CarbonylContact C-O 3.59Å; K230-Q240 WeakPolarHBondContact CA-O 3.47Å; K230-Q240 WeakPolarHBondContact CB-O 3.33Å; Y231-Q240 PolarHBondContact N-O 2.8Å; Y231-Q240 PolarHBondContact O-N 2.78Å; C233-Q240 HydrophobicContact CB-CB 4.48Å; C233-Q240 HydrophobicContact CB-CG 4.17Å; C236-Q240 HydrophobicContact CB-CG 3.9Å; S238-Q240 PolarHBondContact O-N 3.08Å; S238-Q240 PolarHBondContact OG-NE2 3.2Å
241	E	97.7	Very high	93.8	Very high	83 Å²	83	71 Å²	71	39%	0.388	32%	0.316	S	S	.	.			trans	-67.5	141.8	164.9	-63	178.3	-176.1	0	0	108.8	L187 L225 C226 K230	L187-E241 HydrophobicContact CB-CB 4.4Å; L187-E241 WeakPolarHBondContact CB-O 3.27Å; L187-E241 HydrophobicContact CD1-CB 4Å; L187-E241 PolarHBondContact N-O 3.49Å; L225-E241 VanDerWaalsContact O-CA 3.28Å; L225-E241 WeakPolarHBondContact O-CA 3.41Å; C226-E241 HydrophobicContact CB-CG 4.43Å; K230-E241 HydrophobicContact CD-CG 4.28Å; K230-E241 HydrophobicContact CG-CG 4.2Å; K230-E241 IonicContact NZ-OE1 2.62Å
242	A	96.9	Very high	93.9	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	151	-175	0	0	0	0	0	111.6	T184 R185 L225 Y231	T184-A242 HydrophobicContact CG2-CB 3.76Å; R185-A242 CarbonylContact O-C 3.5Å; R185-A242 WeakPolarHBondContact O-CA 3.34Å; R185-A242 WeakPolarHBondContact O-CB 3.41Å; L225-A242 HydrophobicContact CB-CB 4.36Å; L225-A242 WeakPolarHBondContact CB-O 3.49Å; L225-A242 HydrophobicContact CD1-CB 4.35Å; L225-A242 PolarHBondContact N-O 3.25Å; L225-A242 PolarHBondContact O-N 3.16Å; L225-A242 VanDerWaalsContact O-N 3.16Å; Y231-A242 HydrophobicContact CD1-CB 4.07Å; Y231-A242 HydrophobicContact CG-CB 4.19Å
243	H	96.3	Very high	93.8	Very high	65 Å²	65	65.3 Å²	65.3	30%	0.301	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.7	166.6	-78.4	173.1	0	0	0	109	T184 R185 L187 T222 E223 T224	T184-H243 CarbonylContact C-O 3.57Å; T184-H243 WeakPolarHBondContact CA-O 3.28Å; R185-H243 HydrophobicContact CB-CB 4.4Å; R185-H243 PolarHBondContact N-O 2.85Å; R185-H243 PolarHBondContact O-N 2.78Å; L187-H243 HydrophobicContact CD2-CB 4.39Å; T222-H243 HydrophobicContact CG2-CB 3.51Å; E223-H243 CarbonylContact O-C 3.59Å; E223-H243 WeakPolarHBondContact O-CA 3.17Å; T224-H243 PolarHBondContact OG1-CD2 2.87Å
244	K	93	Very high	93.9	Very high	59 Å²	59	65.2 Å²	65.2	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.1	176.3	-172.8	-172.2	174.9	-145.3	0	109.4	N182 E183 T222 E223 L225	N182-K244 WeakPolarHBondContact ND2-CE 3.36Å; N182-K244 VanDerWaalsContact OD1-CE 3.22Å; N182-K244 WeakPolarHBondContact OD1-CE 3.47Å; N182-K244 WeakPolarHBondContact OD1-CG 3.49Å; E183-K244 CarbonylContact O-C 3.5Å; E183-K244 WeakPolarHBondContact O-CA 3.37Å; T222-K244 CarbonylContact C-O 3.55Å; T222-K244 WeakPolarHBondContact CA-O 3.34Å; E223-K244 PolarHBondContact N-O 3.15Å; E223-K244 PolarHBondContact O-N 2.9Å; L225-K244 HydrophobicContact CD1-CB 4.02Å; L225-K244 HydrophobicContact CD1-CD 4.33Å; L225-K244 HydrophobicContact CD2-CB 4.49Å; L225-K244 HydrophobicContact CG-CB 4.11Å
245	R	90.8	Very high	94	Very high	95 Å²	95	58 Å²	58	36%	0.358	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.3	173.6	65.3	179.9	178.8	-175.2	-2.5	110.7	E183 K247	E183-R245 HydrophobicContact CB-CG 3.94Å; E183-R245 PolarHBondContact N-O 3.33Å; E183-R245 PolarHBondContact O-N 2.91Å; E183-R245 IonicContact OE2-CZ 3.27Å; E183-R245 IonicContact OE2-NE 3.05Å; E183-R245 PolarHBondContact OE2-NE 3.31Å; E183-R245 IonicContact OE2-NH2 2.87Å; E183-R245 PolarHBondContact OE2-NH2 3.09Å; R245-K247 VanDerWaalsContact NE-CE 3.28Å
246	M	88.2	Confident	94.1	Very high	40 Å²	40	51.5 Å²	51.5	20%	0.197	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.3	172.9	-58.5	-178.7	81.9	0	0	108.7	L180 F219 S220	L180-M246 HydrophobicContact CB-CE 4.4Å; L180-M246 HydrophobicContact CD1-CE 3.49Å; L180-M246 VanDerWaalsContact CD1-CE 3.49Å; F219-M246 HydrophobicContact CD1-CB 4.42Å; F219-M246 HydrophobicContact CE1-CB 3.97Å; F219-M246 HydrophobicContact CE1-CE 4.33Å; F219-M246 HydrophobicContact CE1-SD 4.13Å; F219-M246 HydrophobicContact CE2-SD 4.33Å; F219-M246 HydrophobicContact CZ-CE 3.89Å; F219-M246 HydrophobicContact CZ-SD 3.78Å; S220-M246 VanDerWaalsContact CA-O 3.26Å; S220-M246 WeakPolarHBondContact CA-O 3.15Å; S220-M246 WeakPolarHBondContact CB-O 3.41Å
247	K	86.5	Confident	94.2	Very high	33 Å²	33	49.8 Å²	49.8	14%	0.143	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.3	176.4	-70.4	-179.9	-179.1	170.9	0	109.6	L180 T181 E183 R245 K249 T289	L180-K247 CarbonylContact C-O 3.55Å; L180-K247 WeakPolarHBondContact CA-O 3.37Å; T181-K247 PolarHBondContact N-O 3.04Å; T181-K247 PolarHBondContact O-N 3.3Å; E183-K247 WeakPolarHBondContact OE1-CE 3.48Å; E183-K247 IonicContact OE1-NZ 2.82Å; E183-K247 PolarHBondContact OE1-NZ 2.69Å; E183-K247 WeakPolarHBondContact OE2-CE 3.37Å; E183-K247 IonicContact OE2-NZ 3.17Å; E183-K247 PolarHBondContact OE2-NZ 2.73Å; R245-K247 VanDerWaalsContact NE-CE 3.28Å; K247-K249 PolarHBondContact O-N 2.79Å; K247-T289 VanDerWaalsContact CA-OG1 3.25Å; K247-T289 WeakPolarHBondContact CA-OG1 3.38Å; K247-T289 VanDerWaalsContact CB-OG1 3.31Å; K247-T289 WeakPolarHBondContact CB-OG1 3.36Å
248	V	86.5	Confident	94.3	Very high	16 Å²	16	40.7 Å²	40.7	10%	0.097	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	116.8	169.3	-171.3	0	0	0	0	108.8	L180 L251 T289 S290	L180-V248 HydrophobicContact CD2-CB 4.34Å; L180-V248 HydrophobicContact CD2-CG2 3.9Å; V248-L251 HydrophobicContact CG1-CD2 3.73Å; V248-L251 HydrophobicContact CG1-CG 3.69Å; V248-T289 PolarHBondContact N-OG1 2.92Å; V248-T289 PolarHBondContact O-N 3.32Å; V248-T289 PolarHBondContact O-OG1 2.75Å; V248-S290 PolarHBondContact O-N 2.92Å; V248-S290 VanDerWaalsContact O-N 3.11Å
249	K	88.8	Confident	94.3	Very high	56 Å²	56	38.8 Å²	38.8	24%	0.243	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-45.4	178.1	176	170.5	176.6	161.1	0	111.7	T179 T181 D196 K247 D292	T179-K249 HydrophobicContact CG2-CD 4.43Å; T179-K249 WeakPolarHBondContact O-CA 3.43Å; T179-K249 WeakPolarHBondContact O-CB 3.38Å; T179-K249 PolarHBondContact O-N 3.04Å; T181-K249 WeakPolarHBondContact OG1-CD 3.29Å; D196-K249 IonicContact OD1-NZ 3.77Å; D196-K249 WeakPolarHBondContact OD2-CE 3.29Å; D196-K249 IonicContact OD2-NZ 3.68Å; D196-K249 PolarHBondContact OD2-NZ 3.28Å; K247-K249 PolarHBondContact O-N 2.79Å; K249-D292 WeakPolarHBondContact CE-OD2 3.4Å; K249-D292 IonicContact NZ-OD2 2.96Å; K249-D292 PolarHBondContact NZ-OD2 2.85Å
250	K	91.1	Very high	94.2	Very high	98 Å²	98	36.1 Å²	36.1	43%	0.426	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.8	176.8	-179.3	-172.4	170.3	-163.6	0	109.7	G178 T179	G178-K250 CarbonylContact C-O 3.58Å; G178-K250 WeakPolarHBondContact CA-O 3.37Å; T179-K250 PolarHBondContact N-O 2.96Å; T179-K250 PolarHBondContact O-N 3.42Å
251	L	91.9	Very high	94.1	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.042	15%	0.154	C	C	.	.			trans	-90.2	135.3	173.7	-84.8	169.4	0	0	0	110.4	V248 L286 N288 R298 Y300	V248-L251 HydrophobicContact CG1-CD2 3.73Å; V248-L251 HydrophobicContact CG1-CG 3.69Å; L251-L286 HydrophobicContact CD1-CB 3.82Å; L251-L286 HydrophobicContact CD2-CB 4.2Å; L251-L286 HydrophobicContact CD2-CD1 3.93Å; L251-N288 WeakPolarHBondContact CD1-OD1 3.4Å; L251-N288 VanDerWaalsContact CG-OD1 3.31Å; L251-N288 WeakPolarHBondContact CG-OD1 3.47Å; L251-R298 HydrophobicContact CD1-CB 3.93Å; L251-R298 PolarHBondContact O-NH1 3.21Å; L251-Y300 WeakPolarHBondContact CB-OH 3.37Å; L251-Y300 HydrophobicContact CD1-CE2 4.4Å; L251-Y300 HydrophobicContact CD2-CE2 4.35Å
252	P	95	Very high	93.8	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.013	14%	0.144	C	C	.	.			trans	-73.8	168.8	-179.4	31.2	-35.9	0	0	0	112.4	F176 F199 I254 L255 R298 Y300	F176-P252 VanDerWaalsContact O-CB 3.29Å; F176-P252 WeakPolarHBondContact O-CB 3.41Å; F199-P252 HydrophobicContact CE2-CG 4.35Å; P252-I254 WeakPolarHBondContact CB-O 3.22Å; P252-I254 WeakPolarHBondContact CG-O 3.47Å; P252-L255 HydrophobicContact CG-CB 3.94Å; P252-L255 HydrophobicContact CG-CD1 3.86Å; P252-R298 PolarHBondContact O-NH1 3.14Å; P252-Y300 PolarHBondContact O-OH 3.37Å
253	M	96.1	Very high	93.5	Very high	70 Å²	70	38.1 Å²	38.1	35%	0.345	17%	0.169	S	C	.	.	S	Bend	trans	-69.8	-41.3	171	-179.7	-173	-72.3	0	0	110.7	P62 I175 S368	P62-M253 HydrophobicContact CB-SD 3.61Å; P62-M253 HydrophobicContact CG-CG 4.38Å; P62-M253 HydrophobicContact CG-SD 3.55Å; P62-M253 VanDerWaalsContact CG-SD 3.55Å; I175-M253 HydrophobicContact CG1-SD 4.48Å; I175-M253 WeakPolarHBondContact O-CB 3.45Å; I175-M253 PolarHBondContact O-N 2.98Å; M253-S368 WeakPolarHBondContact O-CB 3.36Å; M253-S368 PolarHBondContact O-N 3.15Å; M253-S368 PolarHBondContact O-OG 3.16Å
254	I	98	Very high	93.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.3	170.2	-57.7	-177.2	0	0	0	108.3	C60 P62 I175 F176 P252 F365 Y366 Q367	C60-I254 HydrophobicContact CB-CD1 3.56Å; P62-I254 HydrophobicContact CB-CD1 4.39Å; P62-I254 HydrophobicContact CG-CD1 4.16Å; I175-I254 HydrophobicContact CG2-CB 3.94Å; I175-I254 HydrophobicContact CG2-CD1 3.56Å; I175-I254 HydrophobicContact CG2-CG1 3.7Å; I175-I254 PolarHBondContact O-N 3.21Å; F176-I254 HydrophobicContact CD1-CB 3.96Å; F176-I254 HydrophobicContact CD1-CG2 4.01Å; F176-I254 HydrophobicContact CE1-CB 3.76Å; F176-I254 HydrophobicContact CE1-CD1 4.46Å; F176-I254 HydrophobicContact CE1-CG2 3.47Å; F176-I254 VanDerWaalsContact CE1-CG2 3.47Å; F176-I254 HydrophobicContact CZ-CB 4.41Å; F176-I254 HydrophobicContact CZ-CD1 4.33Å; F176-I254 HydrophobicContact CZ-CG2 4.28Å; P252-I254 WeakPolarHBondContact CB-O 3.22Å; P252-I254 WeakPolarHBondContact CG-O 3.47Å; I254-F365 HydrophobicContact CG2-CD1 4.24Å; I254-Y366 CarbonylContact C-O 3.42Å; I254-Y366 VanDerWaalsContact CA-O 3.31Å; I254-Y366 WeakPolarHBondContact CA-O 3.34Å; I254-Q367 HydrophobicContact CG1-CG 4.37Å
255	L	97.1	Very high	92.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	109.6	175	179.3	64.8	0	0	0	109.5	F199 L202 P252 L257 L286 Y300 Y366	F199-L255 HydrophobicContact CE2-CD1 4.08Å; L202-L255 HydrophobicContact CD1-CD1 4.05Å; L202-L255 HydrophobicContact CG-CD1 4.28Å; P252-L255 HydrophobicContact CG-CB 3.94Å; P252-L255 HydrophobicContact CG-CD1 3.86Å; L255-L257 HydrophobicContact CD1-CD2 3.89Å; L255-L257 HydrophobicContact CD2-CD1 4.26Å; L255-L257 HydrophobicContact CD2-CD2 3.84Å; L255-L257 HydrophobicContact CD2-CG 4.12Å; L255-L257 HydrophobicContact CG-CD2 3.71Å; L255-L257 HydrophobicContact CG-CG 3.94Å; L255-L286 HydrophobicContact CD2-CD1 3.16Å; L255-Y300 HydrophobicContact CB-CD1 4.25Å; L255-Y300 HydrophobicContact CB-CE1 3.8Å; L255-Y366 PolarHBondContact N-O 2.73Å; L255-Y366 PolarHBondContact O-N 3.1Å
256	A	98.3	Very high	92.7	Very high	1 Å²	1	41 Å²	41	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.4	167.7	0	0	0	0	0	109.6	D201 L202 L364 F365	D201-A256 CarbonylContact C-O 3.58Å; D201-A256 VanDerWaalsContact CA-O 3.28Å; D201-A256 WeakPolarHBondContact CA-O 3.21Å; D201-A256 HydrophobicContact CB-CB 3.78Å; D201-A256 WeakPolarHBondContact CB-O 3.11Å; L202-A256 PolarHBondContact N-O 2.88Å; A256-L364 CarbonylContact C-O 3.55Å; A256-L364 WeakPolarHBondContact CA-O 3.37Å; A256-F365 HydrophobicContact CB-CD1 4.28Å; A256-F365 HydrophobicContact CB-CE1 4.15Å
257	L	97.7	Very high	92.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.8	176.8	-60	177.6	0	0	0	109.4	L202 I212 L216 L255 L284 I363 L364 Y366	L202-L257 HydrophobicContact CB-CD2 3.82Å; L202-L257 HydrophobicContact CD1-CD2 4.24Å; L202-L257 HydrophobicContact CG-CD2 4.45Å; L202-L257 WeakPolarHBondContact O-CA 3.32Å; I212-L257 HydrophobicContact CD1-CD1 4.05Å; I212-L257 HydrophobicContact CG1-CD1 3.53Å; L216-L257 HydrophobicContact CD1-CD1 3.82Å; L216-L257 HydrophobicContact CD1-CD2 4.35Å; L216-L257 HydrophobicContact CD2-CD2 3.91Å; L255-L257 HydrophobicContact CD1-CD2 3.89Å; L255-L257 HydrophobicContact CD2-CD1 4.26Å; L255-L257 HydrophobicContact CD2-CD2 3.84Å; L255-L257 HydrophobicContact CD2-CG 4.12Å; L255-L257 HydrophobicContact CG-CD2 3.71Å; L255-L257 HydrophobicContact CG-CG 3.94Å; L257-L284 HydrophobicContact CD1-CD2 4.16Å; L257-I363 CarbonylContact O-C 3.53Å; L257-I363 WeakPolarHBondContact O-CA 3.41Å; L257-L364 HydrophobicContact CB-CB 4.23Å; L257-L364 PolarHBondContact N-O 2.86Å; L257-L364 PolarHBondContact O-N 3.31Å; L257-Y366 HydrophobicContact CD1-CD2 3.89Å; L257-Y366 HydrophobicContact CD1-CE2 3.94Å; L257-Y366 HydrophobicContact CG-CD2 4.47Å
258	H	97.9	Very high	92.9	Very high	15 Å²	15	50 Å²	50	7%	0.069	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.2	173.2	162.8	-131.2	0	0	0	109.8	H126 L202 S203 V204 Y362	H126-H258 WeakPolarHBondContact CD2-CB 3.36Å; H126-H258 AromaticContact CD2-CG 3.48Å; H126-H258 VanDerWaalsContact CD2-CG 3.48Å; H126-H258 AromaticContact CD2-ND1 3.75Å; H126-H258 AromaticContact CE1-CE1 3.98Å; H126-H258 AromaticContact CE1-CG 3.86Å; H126-H258 AromaticContact CE1-ND1 3.31Å; H126-H258 PolarHBondContact CE1-ND1 3.43Å; H126-H258 VanDerWaalsContact CE1-ND1 3.31Å; H126-H258 AromaticContact CG-CD2 3.9Å; H126-H258 AromaticContact CG-CE1 3.92Å; H126-H258 AromaticContact CG-CG 3.53Å; H126-H258 AromaticContact CG-ND1 3.57Å; H126-H258 AromaticContact ND1-CE1 3.59Å; H126-H258 AromaticContact ND1-CG 3.81Å; H126-H258 AromaticContact ND1-ND1 3.32Å; H126-H258 PolarHBondContact ND1-ND1 3.29Å; H126-H258 WeakPolarHBondContact NE2-CB 3.23Å; H126-H258 AromaticContact NE2-CG 3.66Å; H126-H258 AromaticContact NE2-ND1 3.55Å; L202-H258 PolarHBondContact O-N 2.89Å; S203-H258 CarbonylContact C-O 3.55Å; S203-H258 WeakPolarHBondContact CA-O 3.19Å; S203-H258 PolarHBondContact OG-ND1 3.1Å; V204-H258 WeakPolarHBondContact CG2-O 3.19Å; V204-H258 PolarHBondContact N-O 2.84Å; H258-Y362 AromaticContact CD2-CE2 3.49Å; H258-Y362 VanDerWaalsContact CD2-CE2 3.49Å; H258-Y362 WeakPolarHBondContact CD2-CE2 3.2Å; H258-Y362 AromaticContact CD2-CZ 3.59Å; H258-Y362 AromaticContact NE2-CE2 3.21Å; H258-Y362 WeakPolarHBondContact NE2-CE2 3.29Å; H258-Y362 AromaticContact NE2-CZ 3.29Å; H258-Y362 VanDerWaalsContact NE2-CZ 3.29Å; H258-Y362 PolarHBondContact NE2-OH 3.32Å; H258-Y362 VanDerWaalsContact NE2-OH 3.09Å
259	L	97.1	Very high	93.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	114.5	175.2	-55.5	-164.7	0	0	0	108.9	V204 V206 I212 R261 V278 G361 Y362 L364	V204-L259 HydrophobicContact CG2-CD2 3.39Å; V206-L259 HydrophobicContact CG1-CB 3.87Å; V206-L259 HydrophobicContact CG1-CD1 4.48Å; V206-L259 HydrophobicContact CG1-CD2 4.33Å; V206-L259 HydrophobicContact CG1-CG 4.45Å; I212-L259 HydrophobicContact CD1-CD2 3.41Å; I212-L259 VanDerWaalsContact CD1-CD2 3.41Å; L259-R261 HydrophobicContact CB-CG 4.05Å; L259-R261 PolarHBondContact O-N 3.22Å; L259-V278 HydrophobicContact CD1-CB 4.24Å; L259-V278 HydrophobicContact CD1-CG1 4.08Å; L259-G361 WeakPolarHBondContact CD1-O 3.17Å; L259-Y362 PolarHBondContact N-O 3.22Å; L259-Y362 WeakPolarHBondContact O-CD2 3.26Å; L259-Y362 WeakPolarHBondContact O-CE2 3.49Å; L259-L364 HydrophobicContact CD2-CD1 4.32Å
260	K	95.3	Very high	93.2	Very high	78 Å²	78	60.4 Å²	60.4	34%	0.339	28%	0.275	S	S	.	.			trans	-68.3	70	179.8	-67	176.5	-176.3	167.3	0	112	S203 V204 D205 F262	S203-K260 VanDerWaalsContact O-CE 3.29Å; S203-K260 WeakPolarHBondContact O-CE 3.42Å; V204-K260 WeakPolarHBondContact O-CB 3.42Å; V204-K260 WeakPolarHBondContact O-CG 3.11Å; V204-K260 PolarHBondContact O-N 3.32Å; D205-K260 VanDerWaalsContact OD1-CD 3.31Å; D205-K260 WeakPolarHBondContact OD1-CD 3.11Å; D205-K260 IonicContact OD1-NZ 3.53Å; D205-K260 IonicContact OD2-NZ 2.76Å; D205-K260 PolarHBondContact OD2-NZ 3.16Å; K260-F262 VanDerWaalsContact C-N 3.3Å
261	R	95.5	Very high	93.1	Very high	2 Å²	2	62 Å²	62	1%	0.008	28%	0.28	C	S	.	.			trans	-83.7	-5.3	-178	-69.2	-177.8	179	-82.3	9.6	112.6	V206 L259 K273 L274 Y276 Y348 G361 Y362	V206-R261 HydrophobicContact CG2-CG 4.27Å; L259-R261 HydrophobicContact CB-CG 4.05Å; L259-R261 PolarHBondContact O-N 3.22Å; R261-K273 CarbonylContact O-C 3.52Å; R261-K273 VanDerWaalsContact O-CA 3.32Å; R261-K273 WeakPolarHBondContact O-CA 3.26Å; R261-L274 PolarHBondContact NH1-O 2.93Å; R261-L274 PolarHBondContact O-N 3.09Å; R261-Y276 PolarHBondContact NH1-O 3.05Å; R261-Y276 PolarHBondContact NH2-O 3.34Å; R261-Y348 PolarHBondContact NH2-O 3.16Å; R261-Y348 VanDerWaalsContact NH2-O 3.14Å; R261-G361 PolarHBondContact NE-O 3.02Å; R261-G361 PolarHBondContact NH2-O 3.36Å; R261-Y362 HydrophobicContact CB-CD2 4.43Å
262	F	92.4	Very high	93.1	Very high	42 Å²	42	62.7 Å²	62.7	18%	0.184	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109.9	174.8	-55.8	-57.6	0	0	0	109.4	K260 K273 H308 P313 Y362	K260-F262 VanDerWaalsContact C-N 3.3Å; F262-K273 HydrophobicContact CD1-CB 4.2Å; F262-K273 HydrophobicContact CD1-CG 4.33Å; F262-K273 HydrophobicContact CE1-CB 4.09Å; F262-K273 HydrophobicContact CE1-CD 4.48Å; F262-K273 HydrophobicContact CE1-CG 3.92Å; F262-H308 AromaticContact CZ-ND1 3.88Å; F262-P313 HydrophobicContact CD1-CB 3.64Å; F262-P313 HydrophobicContact CE1-CB 3.98Å; F262-P313 HydrophobicContact CG-CB 4.35Å; F262-Y362 AromaticContact CD2-CE2 3.85Å; F262-Y362 HydrophobicContact CD2-CE2 3.85Å; F262-Y362 AromaticContact CD2-CZ 3.91Å; F262-Y362 WeakPolarHBondContact CD2-OH 3.42Å; F262-Y362 HydrophobicContact CE2-CD2 4.32Å; F262-Y362 HydrophobicContact CE2-CE1 4.26Å; F262-Y362 AromaticContact CE2-CE2 3.52Å; F262-Y362 HydrophobicContact CE2-CE2 3.52Å; F262-Y362 AromaticContact CE2-CZ 3.48Å; F262-Y362 VanDerWaalsContact CE2-CZ 3.48Å; F262-Y362 WeakPolarHBondContact CE2-OH 3.24Å; F262-Y362 HydrophobicContact CZ-CE2 4.41Å
263	K	89.1	Confident	93	Very high	121 Å²	121	63.3 Å²	63.3	53%	0.526	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.5	-177.3	-174.2	172.4	-178	174.1	0	110.5	Y271 T272 L274	K263-Y271 WeakPolarHBondContact O-CA 3.49Å; K263-T272 PolarHBondContact N-O 2.75Å; K263-T272 PolarHBondContact O-N 3.5Å; K263-T272 PolarHBondContact O-OG1 3.43Å; K263-L274 HydrophobicContact CB-CD1 3.96Å; K263-L274 HydrophobicContact CB-CD2 4.24Å; K263-L274 HydrophobicContact CB-CG 4.14Å; K263-L274 HydrophobicContact CD-CD1 4.29Å
264	Y	89.1	Confident	92.9	Very high	96 Å²	96	60.6 Å²	60.6	38%	0.376	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.1	169.5	-166.9	-99.5	0	0	0	109.3	D266 H269 Y271	Y264-D266 VanDerWaalsContact CD1-OD1 3.3Å; Y264-D266 WeakPolarHBondContact CD1-OD1 3.4Å; Y264-D266 WeakPolarHBondContact CE1-OD1 3.39Å; Y264-H269 VanDerWaalsContact OH-C 3.3Å; Y264-H269 VanDerWaalsContact OH-CA 3.32Å; Y264-H269 WeakPolarHBondContact OH-CA 3.45Å; Y264-H269 PolarHBondContact OH-O 2.82Å; Y264-Y271 HydrophobicContact CD2-CD1 4.43Å; Y264-Y271 AromaticContact CD2-CD2 3.71Å; Y264-Y271 HydrophobicContact CD2-CD2 3.71Å; Y264-Y271 HydrophobicContact CD2-CE1 4.34Å; Y264-Y271 AromaticContact CD2-CE2 3.61Å; Y264-Y271 HydrophobicContact CD2-CE2 3.61Å; Y264-Y271 HydrophobicContact CD2-CG 4.12Å; Y264-Y271 AromaticContact CD2-CZ 3.94Å; Y264-Y271 HydrophobicContact CE2-CD2 4.44Å; Y264-Y271 HydrophobicContact CE2-CE2 4.37Å; Y264-Y271 HydrophobicContact CG-CE2 4.47Å
265	M	87.4	Confident	92.8	Very high	62 Å²	62	60.6 Å²	60.6	31%	0.305	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	102.9	178.5	-66.3	-74.3	-76.3	0	0	108.2	Q267 L268 H269 R270 T272	M265-Q267 PolarHBondContact O-N 2.67Å; M265-L268 HydrophobicContact CB-CB 4.19Å; M265-L268 HydrophobicContact CB-CD1 4.28Å; M265-L268 HydrophobicContact CB-CG 4.37Å; M265-L268 CarbonylContact O-C 3.39Å; M265-L268 PolarHBondContact O-N 3.33Å; M265-H269 PolarHBondContact O-N 2.76Å; M265-R270 PolarHBondContact N-O 2.97Å; M265-T272 HydrophobicContact CB-CG2 4.47Å; M265-T272 HydrophobicContact CG-CG2 3.86Å; M265-T272 WeakPolarHBondContact CG-OG1 3.49Å
266	D	88.5	Confident	92.8	Very high	121 Å²	121	63.4 Å²	63.4	65%	0.647	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-54.3	-40	-177.3	-62.8	-39.4	0	0	0	112.1	Y264 L268 H269	Y264-D266 VanDerWaalsContact CD1-OD1 3.3Å; Y264-D266 WeakPolarHBondContact CD1-OD1 3.4Å; Y264-D266 WeakPolarHBondContact CE1-OD1 3.39Å; D266-L268 PolarHBondContact O-N 3.35Å; D266-H269 PolarHBondContact O-CE1 2.85Å; D266-H269 PolarHBondContact O-N 3.01Å; D266-H269 PolarHBondContact O-ND1 2.84Å
267	Q	89.4	Confident	92.7	Very high	175 Å²	175	66.9 Å²	66.9	82%	0.818	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-59	-33.1	177.7	-64.1	177.9	-7.9	0	0	113.1	M265	M265-Q267 PolarHBondContact O-N 2.67Å
268	L	88.3	Confident	92.7	Very high	88 Å²	88	66.9 Å²	66.9	46%	0.461	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-102.3	-4.8	-177.5	-60.2	176.8	0	0	0	112.9	M265 D266 R270 T272	M265-L268 HydrophobicContact CB-CB 4.19Å; M265-L268 HydrophobicContact CB-CD1 4.28Å; M265-L268 HydrophobicContact CB-CG 4.37Å; M265-L268 CarbonylContact O-C 3.39Å; M265-L268 PolarHBondContact O-N 3.33Å; D266-L268 PolarHBondContact O-N 3.35Å; L268-R270 HydrophobicContact CB-CG 3.88Å; L268-R270 PolarHBondContact O-N 3.41Å; L268-R270 VanDerWaalsContact O-N 3.15Å; L268-T272 HydrophobicContact CD1-CG2 4.18Å
269	H	90.8	Very high	92.7	Very high	148 Å²	148	67.9 Å²	67.9	69%	0.685	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	34.2	-175.3	-62.7	66.1	0	0	0	113.4	Y264 M265 D266	Y264-H269 VanDerWaalsContact OH-C 3.3Å; Y264-H269 VanDerWaalsContact OH-CA 3.32Å; Y264-H269 WeakPolarHBondContact OH-CA 3.45Å; Y264-H269 PolarHBondContact OH-O 2.82Å; M265-H269 PolarHBondContact O-N 2.76Å; D266-H269 PolarHBondContact O-CE1 2.85Å; D266-H269 PolarHBondContact O-N 3.01Å; D266-H269 PolarHBondContact O-ND1 2.84Å
270	R	90.4	Very high	92.7	Very high	141 Å²	141	67.9 Å²	67.9	53%	0.532	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	158.8	-178.3	71.6	-173.4	-178.2	103.8	-3.5	112.5	M265 L268 T272	M265-R270 PolarHBondContact N-O 2.97Å; L268-R270 HydrophobicContact CB-CG 3.88Å; L268-R270 PolarHBondContact O-N 3.41Å; L268-R270 VanDerWaalsContact O-N 3.15Å; R270-T272 HydrophobicContact CG-CG2 4.5Å
271	Y	89.2	Confident	92.7	Very high	132 Å²	132	65.9 Å²	65.9	52%	0.518	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	142.8	167.7	-74.7	-86.5	0	0	0	111.6	K263 Y264	K263-Y271 WeakPolarHBondContact O-CA 3.49Å; Y264-Y271 HydrophobicContact CD2-CD1 4.43Å; Y264-Y271 AromaticContact CD2-CD2 3.71Å; Y264-Y271 HydrophobicContact CD2-CD2 3.71Å; Y264-Y271 HydrophobicContact CD2-CE1 4.34Å; Y264-Y271 AromaticContact CD2-CE2 3.61Å; Y264-Y271 HydrophobicContact CD2-CE2 3.61Å; Y264-Y271 HydrophobicContact CD2-CG 4.12Å; Y264-Y271 AromaticContact CD2-CZ 3.94Å; Y264-Y271 HydrophobicContact CE2-CD2 4.44Å; Y264-Y271 HydrophobicContact CE2-CE2 4.37Å; Y264-Y271 HydrophobicContact CG-CE2 4.47Å
272	T	91.6	Very high	92.8	Very high	23 Å²	23	69 Å²	69	14%	0.141	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.8	172.7	58.8	0	0	0	0	110.4	K263 M265 L268 R270	K263-T272 PolarHBondContact N-O 2.75Å; K263-T272 PolarHBondContact O-N 3.5Å; K263-T272 PolarHBondContact O-OG1 3.43Å; M265-T272 HydrophobicContact CB-CG2 4.47Å; M265-T272 HydrophobicContact CG-CG2 3.86Å; M265-T272 WeakPolarHBondContact CG-OG1 3.49Å; L268-T272 HydrophobicContact CD1-CG2 4.18Å; R270-T272 HydrophobicContact CG-CG2 4.5Å
273	K	94.6	Very high	92.9	Very high	15 Å²	15	72.2 Å²	72.2	7%	0.065	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	126.6	170.4	-175.2	-171	-179.5	-172.7	0	109.2	R261 F262 S275 H308 G310 S358	R261-K273 CarbonylContact O-C 3.52Å; R261-K273 VanDerWaalsContact O-CA 3.32Å; R261-K273 WeakPolarHBondContact O-CA 3.26Å; F262-K273 HydrophobicContact CD1-CB 4.2Å; F262-K273 HydrophobicContact CD1-CG 4.33Å; F262-K273 HydrophobicContact CE1-CB 4.09Å; F262-K273 HydrophobicContact CE1-CD 4.48Å; F262-K273 HydrophobicContact CE1-CG 3.92Å; K273-S275 PolarHBondContact O-N 3.01Å; K273-H308 WeakPolarHBondContact CE-ND1 3.36Å; K273-H308 PolarHBondContact NZ-ND1 2.77Å; K273-H308 PolarHBondContact NZ-O 2.84Å; K273-G310 WeakPolarHBondContact CD-O 3.35Å; K273-G310 PolarHBondContact NZ-O 3.38Å; K273-S358 WeakPolarHBondContact CE-OG 3.21Å; K273-S358 PolarHBondContact NZ-O 2.96Å; K273-S358 PolarHBondContact NZ-OG 2.92Å
274	L	94.2	Very high	93.2	Very high	12 Å²	12	66.5 Å²	66.5	6%	0.063	31%	0.307	C	S	.	.			trans	-85.3	89.7	170.4	-53.1	-177.3	0	0	0	108.4	V206 R261 K263 Y276	V206-L274 HydrophobicContact CG2-CB 4.35Å; V206-L274 HydrophobicContact CG2-CD1 3.9Å; R261-L274 PolarHBondContact NH1-O 2.93Å; R261-L274 PolarHBondContact O-N 3.09Å; K263-L274 HydrophobicContact CB-CD1 3.96Å; K263-L274 HydrophobicContact CB-CD2 4.24Å; K263-L274 HydrophobicContact CB-CG 4.14Å; K263-L274 HydrophobicContact CD-CD1 4.29Å; L274-Y276 HydrophobicContact CB-CD1 4.47Å; L274-Y276 HydrophobicContact CB-CD2 3.89Å; L274-Y276 HydrophobicContact CB-CE2 3.96Å; L274-Y276 HydrophobicContact CB-CG 4.15Å; L274-Y276 HydrophobicContact CD1-CD2 4.27Å; L274-Y276 HydrophobicContact CD1-CE2 3.85Å; L274-Y276 HydrophobicContact CD2-CE1 4.41Å; L274-Y276 HydrophobicContact CD2-CE2 3.95Å; L274-Y276 HydrophobicContact CG-CE2 4.13Å; L274-Y276 PolarHBondContact O-N 3.45Å
275	S	94.9	Very high	93.3	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.007	31%	0.314	C	S	.	.			trans	-72.8	28.7	174.2	-56.3	0	0	0	0	112.9	K273 L350 I354 S358	K273-S275 PolarHBondContact O-N 3.01Å; S275-L350 PolarHBondContact O-N 3.33Å; S275-I354 VanDerWaalsContact CB-O 3.26Å; S275-I354 WeakPolarHBondContact CB-O 3.32Å; S275-I354 PolarHBondContact OG-O 2.71Å; S275-S358 VanDerWaalsContact CB-OG 3.26Å; S275-S358 WeakPolarHBondContact CB-OG 3.43Å; S275-S358 PolarHBondContact OG-OG 3.39Å
276	Y	96.3	Very high	93.3	Very high	58 Å²	58	66.4 Å²	66.4	23%	0.227	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-64.8	145.1	-174.4	-65.9	-17.1	0	0	0	112.3	V206 Q208 R261 L274 V278 I354	V206-Y276 HydrophobicContact CG2-CD2 4.31Å; Q208-Y276 HydrophobicContact CB-CD1 4.08Å; Q208-Y276 HydrophobicContact CB-CD2 4.49Å; Q208-Y276 HydrophobicContact CB-CE1 4.45Å; Q208-Y276 HydrophobicContact CB-CG 4.12Å; Q208-Y276 VanDerWaalsContact OE1-CB 3.25Å; R261-Y276 PolarHBondContact NH1-O 3.05Å; R261-Y276 PolarHBondContact NH2-O 3.34Å; L274-Y276 HydrophobicContact CB-CD1 4.47Å; L274-Y276 HydrophobicContact CB-CD2 3.89Å; L274-Y276 HydrophobicContact CB-CE2 3.96Å; L274-Y276 HydrophobicContact CB-CG 4.15Å; L274-Y276 HydrophobicContact CD1-CD2 4.27Å; L274-Y276 HydrophobicContact CD1-CE2 3.85Å; L274-Y276 HydrophobicContact CD2-CE1 4.41Å; L274-Y276 HydrophobicContact CD2-CE2 3.95Å; L274-Y276 HydrophobicContact CG-CE2 4.13Å; L274-Y276 PolarHBondContact O-N 3.45Å; Y276-V278 PolarHBondContact O-N 3.48Å; Y276-I354 HydrophobicContact CD1-CD1 4.41Å; Y276-I354 HydrophobicContact CD1-CG2 4.34Å; Y276-I354 HydrophobicContact CE1-CD1 3.81Å
277	R	97.2	Very high	93	Very high	75 Å²	75	65.8 Å²	65.8	28%	0.283	30%	0.296	S	S	.	.			trans	-72	109.8	170.7	-173.5	175.9	-178	-81.5	-2.4	109.8	N209 T210 Y348 L350 T351	N209-R277 VanDerWaalsContact CA-O 3.31Å; N209-R277 WeakPolarHBondContact CA-O 3.05Å; N209-R277 PolarHBondContact N-O 3.19Å; N209-R277 VanDerWaalsContact N-O 3.1Å; T210-R277 PolarHBondContact N-O 2.8Å; R277-Y348 CarbonylContact C-O 3.57Å; R277-Y348 WeakPolarHBondContact CA-O 3.42Å; R277-L350 PolarHBondContact N-O 2.95Å; R277-T351 WeakPolarHBondContact CD-OG1 3.37Å
278	V	97.5	Very high	92.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	108.8	176	-174.9	0	0	0	0	108.4	V206 T210 L259 Y276 F280 Y348	V206-V278 HydrophobicContact CB-CG2 3.96Å; V206-V278 HydrophobicContact CG1-CG2 3.97Å; T210-V278 HydrophobicContact CG2-CB 4.45Å; T210-V278 HydrophobicContact CG2-CG1 4.04Å; T210-V278 HydrophobicContact CG2-CG2 4.08Å; T210-V278 WeakPolarHBondContact O-CA 3.49Å; L259-V278 HydrophobicContact CD1-CB 4.24Å; L259-V278 HydrophobicContact CD1-CG1 4.08Å; Y276-V278 PolarHBondContact O-N 3.48Å; V278-F280 WeakPolarHBondContact O-CD1 3.46Å; V278-F280 PolarHBondContact O-N 3.37Å; V278-Y348 PolarHBondContact N-O 3.19Å
279	V	97.7	Very high	91.9	Very high	36 Å²	36	57.2 Å²	57.2	22%	0.218	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	126	179.5	179.1	0	0	0	0	109.9	T210 S211 I212 Y348	T210-V279 PolarHBondContact O-N 3.25Å; S211-V279 CarbonylContact C-O 3.54Å; S211-V279 WeakPolarHBondContact CA-O 3.49Å; S211-V279 WeakPolarHBondContact CB-O 3.42Å; I212-V279 PolarHBondContact N-O 3.09Å; V279-Y348 HydrophobicContact CB-CD2 4.39Å; V279-Y348 HydrophobicContact CB-CE2 4.32Å; V279-Y348 HydrophobicContact CG1-CD2 4.43Å; V279-Y348 HydrophobicContact CG1-CE2 3.87Å; V279-Y348 HydrophobicContact CG2-CD2 3.93Å; V279-Y348 HydrophobicContact CG2-CE2 4.12Å; V279-Y348 HydrophobicContact CG2-CG 4.48Å
280	F	97.1	Very high	91	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.231	C	C	.	.			trans	-115.4	116.2	169.7	44.6	-95.9	0	0	0	109.7	I212 V278 L302 V305 I344 F347 Y348 L364	I212-F280 HydrophobicContact CB-CB 4.39Å; I212-F280 HydrophobicContact CG2-CB 4.08Å; V278-F280 WeakPolarHBondContact O-CD1 3.46Å; V278-F280 PolarHBondContact O-N 3.37Å; F280-L302 HydrophobicContact CD2-CD2 3.84Å; F280-L302 HydrophobicContact CE2-CD2 4.2Å; F280-V305 HydrophobicContact CD2-CG2 4.49Å; F280-V305 HydrophobicContact CE2-CG1 4.42Å; F280-V305 HydrophobicContact CE2-CG2 3.92Å; F280-V305 HydrophobicContact CZ-CG1 4.15Å; F280-V305 HydrophobicContact CZ-CG2 4.46Å; F280-I344 HydrophobicContact CD2-CG2 4.45Å; F280-I344 HydrophobicContact CE2-CG2 3.55Å; F280-I344 HydrophobicContact CZ-CG2 4.26Å; F280-F347 HydrophobicContact CZ-CB 4.14Å; F280-Y348 AromaticContact CD1-CD1 3.75Å; F280-Y348 HydrophobicContact CD1-CD1 3.75Å; F280-Y348 HydrophobicContact CD1-CE1 4.01Å; F280-Y348 HydrophobicContact CD2-CD1 4.29Å; F280-Y348 AromaticContact CD2-CE1 3.77Å; F280-Y348 HydrophobicContact CD2-CE1 3.77Å; F280-Y348 AromaticContact CE1-CD1 3.49Å; F280-Y348 HydrophobicContact CE1-CD1 3.49Å; F280-Y348 VanDerWaalsContact CE1-CD1 3.49Å; F280-Y348 AromaticContact CE1-CE1 3.98Å; F280-Y348 HydrophobicContact CE1-CE1 3.98Å; F280-Y348 HydrophobicContact CE2-CD1 4.03Å; F280-Y348 AromaticContact CE2-CE1 3.71Å; F280-Y348 HydrophobicContact CE2-CE1 3.71Å; F280-Y348 HydrophobicContact CG-CD1 4.15Å; F280-Y348 AromaticContact CG-CE1 3.92Å; F280-Y348 HydrophobicContact CG-CE1 3.92Å; F280-Y348 AromaticContact CZ-CD1 3.62Å; F280-Y348 HydrophobicContact CZ-CD1 3.62Å; F280-Y348 AromaticContact CZ-CE1 3.81Å; F280-Y348 HydrophobicContact CZ-CE1 3.81Å; F280-Y348 PolarHBondContact O-OH 2.82Å; F280-L364 HydrophobicContact CB-CD1 3.5Å; F280-L364 HydrophobicContact CB-CD2 4.38Å; F280-L364 HydrophobicContact CD1-CD1 4.1Å; F280-L364 HydrophobicContact CD1-CD2 3.85Å; F280-L364 HydrophobicContact CD2-CD2 4.12Å; F280-L364 HydrophobicContact CE1-CD2 4.08Å; F280-L364 HydrophobicContact CE2-CD2 4.36Å; F280-L364 HydrophobicContact CG-CD1 3.89Å; F280-L364 HydrophobicContact CG-CD2 3.87Å; F280-L364 HydrophobicContact CZ-CD2 4.35Å
281	P	96.2	Very high	90	Very high	36 Å²	36	48.4 Å²	48.4	23%	0.234	25%	0.249	C	C	.	.			trans	-73.4	153.1	-176.8	33.1	-35.5	0	0	0	110.5	I212 E283 L284 Y366	I212-P281 VanDerWaalsContact CG2-CD 3.41Å; I212-P281 HydrophobicContact CG2-CG 4.4Å; P281-E283 WeakPolarHBondContact CB-O 3.31Å; P281-E283 VanDerWaalsContact CG-O 3.29Å; P281-E283 WeakPolarHBondContact CG-O 3.26Å; P281-E283 PolarHBondContact O-N 3.46Å; P281-L284 HydrophobicContact CG-CB 4.44Å; P281-L284 HydrophobicContact CG-CD1 4.1Å; P281-Y366 WeakPolarHBondContact O-CE1 3.4Å; P281-Y366 PolarHBondContact O-OH 3.49Å
282	L	96.1	Very high	89.3	Confident	66 Å²	66	46.4 Å²	46.4	35%	0.346	25%	0.247	S	C	.	.	S	Bend	trans	-66.2	-26.9	174.5	-55.3	-173.3	0	0	0	112.2	D301 L302 W328 I344	L282-D301 CarbonylContact O-C 3.54Å; L282-D301 WeakPolarHBondContact O-CA 3.44Å; L282-L302 HydrophobicContact CD2-CD2 4.01Å; L282-L302 PolarHBondContact O-N 3.37Å; L282-W328 HydrophobicContact CD2-CH2 4.36Å; L282-W328 HydrophobicContact CD2-CZ2 3.77Å; L282-I344 HydrophobicContact CD2-CD1 4.06Å
283	E	96	Very high	88.3	Confident	110 Å²	110	46.6 Å²	46.6	51%	0.514	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.3	175.7	-52.3	-173.3	-171.4	0	0	109.3	P281 M299 Y300 R369	P281-E283 WeakPolarHBondContact CB-O 3.31Å; P281-E283 VanDerWaalsContact CG-O 3.29Å; P281-E283 WeakPolarHBondContact CG-O 3.26Å; P281-E283 PolarHBondContact O-N 3.46Å; E283-M299 HydrophobicContact CB-CE 4.39Å; E283-Y300 CarbonylContact C-O 3.53Å; E283-Y300 WeakPolarHBondContact CA-O 3.46Å; E283-R369 IonicContact OE1-NH2 2.78Å; E283-R369 PolarHBondContact OE1-NH2 3.43Å; E283-R369 IonicContact OE2-CZ 3.74Å; E283-R369 IonicContact OE2-NH1 3.23Å; E283-R369 IonicContact OE2-NH2 2.66Å; E283-R369 PolarHBondContact OE2-NH2 2.99Å
284	L	94	Very high	87.1	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.2	-177.4	-177.1	66.8	0	0	0	110	I212 T213 L216 L257 P281 L286 Y300 Y366	I212-L284 HydrophobicContact CG2-CD1 4.25Å; T213-L284 WeakPolarHBondContact OG1-CD1 3.44Å; L216-L284 HydrophobicContact CD1-CD2 3.97Å; L257-L284 HydrophobicContact CD1-CD2 4.16Å; P281-L284 HydrophobicContact CG-CB 4.44Å; P281-L284 HydrophobicContact CG-CD1 4.1Å; L284-L286 HydrophobicContact CD1-CD2 4.24Å; L284-L286 HydrophobicContact CD2-CD1 4.01Å; L284-L286 HydrophobicContact CD2-CD2 4.09Å; L284-L286 HydrophobicContact CD2-CG 4.05Å; L284-L286 HydrophobicContact CG-CD1 4.48Å; L284-L286 HydrophobicContact CG-CD2 4.03Å; L284-L286 HydrophobicContact CG-CG 4Å; L284-Y300 PolarHBondContact N-O 2.84Å; L284-Y300 PolarHBondContact O-N 3.42Å; L284-Y366 HydrophobicContact CB-CD1 3.83Å; L284-Y366 HydrophobicContact CB-CE1 3.55Å; L284-Y366 HydrophobicContact CD2-CD1 4.31Å; L284-Y366 HydrophobicContact CD2-CD2 4.14Å; L284-Y366 HydrophobicContact CD2-CE1 4.23Å; L284-Y366 HydrophobicContact CD2-CE2 4.04Å; L284-Y366 HydrophobicContact CD2-CG 4.27Å
285	R	91.5	Very high	86	Confident	135 Å²	135	55 Å²	55	51%	0.509	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.9	171.9	-168.4	171.4	-175.8	174.7	3.5	109.5	F287 D297 M299	R285-F287 HydrophobicContact CG-CE2 4.22Å; R285-F287 HydrophobicContact CG-CZ 4.14Å; R285-D297 IonicContact CZ-OD2 3.78Å; R285-D297 IonicContact NE-OD2 3.65Å; R285-D297 PolarHBondContact NE-OD2 2.8Å; R285-D297 IonicContact NH2-OD2 2.69Å; R285-D297 PolarHBondContact NH2-OD2 2.98Å; R285-M299 HydrophobicContact CB-CE 4.47Å; R285-M299 HydrophobicContact CB-SD 3.46Å; R285-M299 WeakPolarHBondContact CB-SD 3.43Å; R285-M299 HydrophobicContact CG-SD 3.51Å; R285-M299 VanDerWaalsContact CG-SD 3.51Å
286	L	87.4	Confident	85.1	Confident	21 Å²	21	59.2 Å²	59.2	11%	0.11	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.5	175.3	-63.5	178.3	0	0	0	110.7	L216 L251 L255 L284 D297 R298 Y300	L216-L286 HydrophobicContact CB-CD2 4.38Å; L216-L286 HydrophobicContact CD1-CD1 4.1Å; L216-L286 HydrophobicContact CD1-CD2 3.56Å; L216-L286 HydrophobicContact CD1-CG 4.46Å; L251-L286 HydrophobicContact CD1-CB 3.82Å; L251-L286 HydrophobicContact CD2-CB 4.2Å; L251-L286 HydrophobicContact CD2-CD1 3.93Å; L255-L286 HydrophobicContact CD2-CD1 3.16Å; L284-L286 HydrophobicContact CD1-CD2 4.24Å; L284-L286 HydrophobicContact CD2-CD1 4.01Å; L284-L286 HydrophobicContact CD2-CD2 4.09Å; L284-L286 HydrophobicContact CD2-CG 4.05Å; L284-L286 HydrophobicContact CG-CD1 4.48Å; L284-L286 HydrophobicContact CG-CD2 4.03Å; L284-L286 HydrophobicContact CG-CG 4Å; L286-D297 CarbonylContact O-C 3.55Å; L286-D297 WeakPolarHBondContact O-CA 3.47Å; L286-D297 VanDerWaalsContact O-CB 3.26Å; L286-D297 WeakPolarHBondContact O-CB 3.49Å; L286-R298 PolarHBondContact N-O 3.46Å; L286-R298 PolarHBondContact O-N 2.89Å; L286-Y300 HydrophobicContact CD1-CD2 4.39Å; L286-Y300 HydrophobicContact CD1-CE2 4.22Å
287	F	82.9	Confident	84.7	Confident	107 Å²	107	58.3 Å²	58.3	47%	0.469	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.5	179.5	-61.9	-91	0	0	0	108.7	R285 T289 P296 D297	R285-F287 HydrophobicContact CG-CE2 4.22Å; R285-F287 HydrophobicContact CG-CZ 4.14Å; F287-T289 PolarHBondContact O-N 3Å; F287-P296 CarbonylContact C-O 3.55Å; F287-P296 WeakPolarHBondContact CA-O 3.5Å; F287-D297 HydrophobicContact CD1-CB 3.62Å; F287-D297 HydrophobicContact CE1-CB 3.94Å; F287-D297 HydrophobicContact CG-CB 4.22Å
288	N	76.6	Confident	84.4	Confident	23 Å²	23	56.8 Å²	56.8	12%	0.123	32%	0.323	C	S	.	.			trans	-72.8	123.3	163.6	-73.2	-45.5	0	0	0	107.6	L251 A293 N295 P296	L251-N288 WeakPolarHBondContact CD1-OD1 3.4Å; L251-N288 VanDerWaalsContact CG-OD1 3.31Å; L251-N288 WeakPolarHBondContact CG-OD1 3.47Å; N288-A293 HydrophobicContact CB-CB 3.3Å; N288-N295 WeakPolarHBondContact CB-O 3.33Å; N288-N295 PolarHBondContact ND2-O 2.93Å; N288-P296 PolarHBondContact N-O 2.92Å
289	T	77.5	Confident	84.2	Confident	60 Å²	60	59.3 Å²	59.3	37%	0.368	34%	0.335	S	S	.	.			trans	-97.9	-8.1	-175	55.2	0	0	0	0	112.8	K247 V248 F287	K247-T289 VanDerWaalsContact CA-OG1 3.25Å; K247-T289 WeakPolarHBondContact CA-OG1 3.38Å; K247-T289 VanDerWaalsContact CB-OG1 3.31Å; K247-T289 WeakPolarHBondContact CB-OG1 3.36Å; V248-T289 PolarHBondContact N-OG1 2.92Å; V248-T289 PolarHBondContact O-N 3.32Å; V248-T289 PolarHBondContact O-OG1 2.75Å; F287-T289 PolarHBondContact O-N 3Å
290	S	71.7	Confident	84.2	Confident	16 Å²	16	57.6 Å²	57.6	11%	0.112	33%	0.325	C	S	.	.	S	Bend	trans	-76.4	139.6	173.5	-163.4	0	0	0	0	111	V248 D292 A293	V248-S290 PolarHBondContact O-N 2.92Å; V248-S290 VanDerWaalsContact O-N 3.11Å; S290-D292 WeakPolarHBondContact CB-OD1 3.2Å; S290-D292 PolarHBondContact O-N 3.43Å; S290-D292 PolarHBondContact OG-OD1 2.96Å; S290-A293 WeakPolarHBondContact O-CB 3.28Å; S290-A293 PolarHBondContact O-N 2.83Å
291	G	69.5	Low	84.2	Confident	88 Å²	88	59.4 Å²	59.4	91%	0.907	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.3	-176.8	0	0	0	0	0	114.4
292	D	74.3	Confident	84.3	Confident	91 Å²	91	57.7 Å²	57.7	49%	0.487	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	8.3	179.3	64.8	-17.5	0	0	0	113.3	K249 S290 T294	K249-D292 WeakPolarHBondContact CE-OD2 3.4Å; K249-D292 IonicContact NZ-OD2 2.96Å; K249-D292 PolarHBondContact NZ-OD2 2.85Å; S290-D292 WeakPolarHBondContact CB-OD1 3.2Å; S290-D292 PolarHBondContact O-N 3.43Å; S290-D292 PolarHBondContact OG-OD1 2.96Å; D292-T294 PolarHBondContact O-N 3.1Å
293	A	70.4	Confident	84.4	Confident	27 Å²	27	55.3 Å²	55.3	22%	0.223	31%	0.312	C	S	.	.			trans	-70	129.2	-179.1	0	0	0	0	0	111.9	N288 S290 N295	N288-A293 HydrophobicContact CB-CB 3.3Å; S290-A293 WeakPolarHBondContact O-CB 3.28Å; S290-A293 PolarHBondContact O-N 2.83Å; A293-N295 VanDerWaalsContact C-N 3.34Å; A293-N295 PolarHBondContact O-N 2.68Å
294	T	69.3	Low	84.5	Confident	135 Å²	135	50.1 Å²	50.1	83%	0.828	29%	0.287	S	S	*	.	S	Bend	trans	-70.9	-29.4	-179.3	50.7	0	0	0	0	113.3	D292	D292-T294 PolarHBondContact O-N 3.1Å
295	N	72.3	Confident	84.7	Confident	67 Å²	67	50 Å²	50	36%	0.358	29%	0.287	S	S	.	.	S	Bend	trans	-116.4	123.6	175.7	-69.1	-13.2	0	0	0	108.5	N288 A293 D297	N288-N295 WeakPolarHBondContact CB-O 3.33Å; N288-N295 PolarHBondContact ND2-O 2.93Å; A293-N295 VanDerWaalsContact C-N 3.34Å; A293-N295 PolarHBondContact O-N 2.68Å; N295-D297 PolarHBondContact O-N 3.07Å
296	P	76.7	Confident	85.1	Confident	91 Å²	91	43.6 Å²	43.6	59%	0.591	26%	0.262	S	S	*	.	S	Bend	trans	-67	-27.7	-177.4	25.4	-32.6	0	0	0	112.4	F287 N288	F287-P296 CarbonylContact C-O 3.55Å; F287-P296 WeakPolarHBondContact CA-O 3.5Å; N288-P296 PolarHBondContact N-O 2.92Å
297	D	86	Confident	85.6	Confident	39 Å²	39	42.6 Å²	42.6	21%	0.209	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	167.4	-178.9	68.7	-43.5	0	0	0	112.1	R285 L286 F287 N295	R285-D297 IonicContact CZ-OD2 3.78Å; R285-D297 IonicContact NE-OD2 3.65Å; R285-D297 PolarHBondContact NE-OD2 2.8Å; R285-D297 IonicContact NH2-OD2 2.69Å; R285-D297 PolarHBondContact NH2-OD2 2.98Å; L286-D297 CarbonylContact O-C 3.55Å; L286-D297 WeakPolarHBondContact O-CA 3.47Å; L286-D297 VanDerWaalsContact O-CB 3.26Å; L286-D297 WeakPolarHBondContact O-CB 3.49Å; F287-D297 HydrophobicContact CD1-CB 3.62Å; F287-D297 HydrophobicContact CE1-CB 3.94Å; F287-D297 HydrophobicContact CG-CB 4.22Å; N295-D297 PolarHBondContact O-N 3.07Å
298	R	90.8	Very high	86.3	Confident	43 Å²	43	37.8 Å²	37.8	16%	0.162	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	136.6	175.6	-176.7	169.6	-99.9	177.2	0.6	109.9	L251 P252 L286 Y300 D370	L251-R298 HydrophobicContact CD1-CB 3.93Å; L251-R298 PolarHBondContact O-NH1 3.21Å; P252-R298 PolarHBondContact O-NH1 3.14Å; L286-R298 PolarHBondContact N-O 3.46Å; L286-R298 PolarHBondContact O-N 2.89Å; R298-Y300 HydrophobicContact CB-CD2 4.45Å; R298-Y300 HydrophobicContact CB-CE2 3.82Å; R298-Y300 VanDerWaalsContact CD-CZ 3.5Å; R298-Y300 VanDerWaalsContact CD-OH 3.26Å; R298-Y300 WeakPolarHBondContact CD-OH 3.31Å; R298-Y300 HydrophobicContact CG-CD2 4.11Å; R298-Y300 HydrophobicContact CG-CE2 3.57Å; R298-D370 WeakPolarHBondContact CG-OD1 3.35Å; R298-D370 IonicContact CZ-OD1 2.74Å; R298-D370 IonicContact CZ-OD2 3.02Å; R298-D370 IonicContact NE-OD1 3.89Å; R298-D370 PolarHBondContact NE-OD1 2.98Å; R298-D370 IonicContact NE-OD2 2.72Å; R298-D370 PolarHBondContact NE-OD2 3.48Å; R298-D370 VanDerWaalsContact NE-OD2 3.14Å; R298-D370 IonicContact NH2-OD1 3.56Å; R298-D370 IonicContact NH2-OD2 2.93Å; R298-D370 PolarHBondContact NH2-OD2 3.42Å
299	M	94.5	Very high	87.3	Confident	53 Å²	53	37.4 Å²	37.4	26%	0.261	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	135.1	172.3	-71.7	-63.7	-59.9	0	0	109.4	E283 R285 R369	E283-M299 HydrophobicContact CB-CE 4.39Å; R285-M299 HydrophobicContact CB-CE 4.47Å; R285-M299 HydrophobicContact CB-SD 3.46Å; R285-M299 WeakPolarHBondContact CB-SD 3.43Å; R285-M299 HydrophobicContact CG-SD 3.51Å; R285-M299 VanDerWaalsContact CG-SD 3.51Å; M299-R369 HydrophobicContact CB-CG 4.33Å; M299-R369 PolarHBondContact O-N 3.22Å
300	Y	96.9	Very high	88.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.8	177	-71	-94.3	0	0	0	111.3	L251 P252 L255 E283 L284 L286 R298 Y366 Q367	L251-Y300 WeakPolarHBondContact CB-OH 3.37Å; L251-Y300 HydrophobicContact CD1-CE2 4.4Å; L251-Y300 HydrophobicContact CD2-CE2 4.35Å; P252-Y300 PolarHBondContact O-OH 3.37Å; L255-Y300 HydrophobicContact CB-CD1 4.25Å; L255-Y300 HydrophobicContact CB-CE1 3.8Å; E283-Y300 CarbonylContact C-O 3.53Å; E283-Y300 WeakPolarHBondContact CA-O 3.46Å; L284-Y300 PolarHBondContact N-O 2.84Å; L284-Y300 PolarHBondContact O-N 3.42Å; L286-Y300 HydrophobicContact CD1-CD2 4.39Å; L286-Y300 HydrophobicContact CD1-CE2 4.22Å; R298-Y300 HydrophobicContact CB-CD2 4.45Å; R298-Y300 HydrophobicContact CB-CE2 3.82Å; R298-Y300 VanDerWaalsContact CD-CZ 3.5Å; R298-Y300 VanDerWaalsContact CD-OH 3.26Å; R298-Y300 WeakPolarHBondContact CD-OH 3.31Å; R298-Y300 HydrophobicContact CG-CD2 4.11Å; R298-Y300 HydrophobicContact CG-CE2 3.57Å; Y300-Y366 WeakPolarHBondContact CD1-O 3.5Å; Y300-Q367 CarbonylContact C-O 3.53Å; Y300-Q367 VanDerWaalsContact CA-O 3.24Å; Y300-Q367 WeakPolarHBondContact CA-O 3.39Å
301	D	97.3	Very high	88.9	Confident	37 Å²	37	37.8 Å²	37.8	20%	0.198	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.1	168.5	-63.4	-58.3	0	0	0	109.6	L282 V303 Y366 Q367 R369	L282-D301 CarbonylContact O-C 3.54Å; L282-D301 WeakPolarHBondContact O-CA 3.44Å; D301-V303 PolarHBondContact O-N 3.32Å; D301-Y366 CarbonylContact O-C 3.46Å; D301-Y366 WeakPolarHBondContact O-CA 3.32Å; D301-Q367 PolarHBondContact N-O 3.38Å; D301-Q367 PolarHBondContact O-N 3.14Å; D301-R369 IonicContact OD1-CZ 3.7Å; D301-R369 IonicContact OD1-NE 3.57Å; D301-R369 PolarHBondContact OD1-NE 2.73Å; D301-R369 IonicContact OD1-NH2 3.59Å; D301-R369 PolarHBondContact OD1-NH2 2.85Å; D301-R369 WeakPolarHBondContact OD2-CG 3.42Å; D301-R369 IonicContact OD2-CZ 3.15Å; D301-R369 IonicContact OD2-NE 3.37Å; D301-R369 PolarHBondContact OD2-NE 2.82Å; D301-R369 IonicContact OD2-NH2 2.76Å
302	L	98	Very high	89.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	121.9	173.5	-174.4	69.1	0	0	0	108.7	F280 L282 V305 W328 L364 Y366	F280-L302 HydrophobicContact CD2-CD2 3.84Å; F280-L302 HydrophobicContact CE2-CD2 4.2Å; L282-L302 HydrophobicContact CD2-CD2 4.01Å; L282-L302 PolarHBondContact O-N 3.37Å; L302-V305 HydrophobicContact CD1-CG2 4.04Å; L302-V305 HydrophobicContact CD2-CG2 3.8Å; L302-V305 HydrophobicContact CG-CG2 4.18Å; L302-W328 HydrophobicContact CB-CH2 4.16Å; L302-W328 HydrophobicContact CD2-CH2 3.89Å; L302-W328 HydrophobicContact CG-CH2 3.9Å; L302-W328 WeakPolarHBondContact O-CH2 3Å; L302-L364 HydrophobicContact CD1-CB 4.14Å; L302-Y366 HydrophobicContact CB-CD1 4.12Å; L302-Y366 HydrophobicContact CB-CE1 3.7Å; L302-Y366 HydrophobicContact CD1-CD1 4.37Å; L302-Y366 HydrophobicContact CD1-CD2 4.16Å; L302-Y366 HydrophobicContact CD1-CE1 4Å; L302-Y366 HydrophobicContact CD1-CE2 3.79Å; L302-Y366 HydrophobicContact CD1-CG 4.44Å; L302-Y366 HydrophobicContact CG-CE1 4.43Å
303	V	98	Very high	90.4	Very high	16 Å²	16	31.8 Å²	31.8	10%	0.097	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-28.6	-179.1	-64.4	0	0	0	0	112.8	D301 V322 K323 F365 Q367	D301-V303 PolarHBondContact O-N 3.32Å; V303-V322 WeakPolarHBondContact O-CA 3.22Å; V303-K323 PolarHBondContact O-N 3.04Å; V303-F365 HydrophobicContact CG2-CB 3.92Å; V303-F365 VanDerWaalsContact CG2-O 3.29Å; V303-F365 WeakPolarHBondContact CG2-O 3.35Å; V303-F365 PolarHBondContact N-O 3.02Å; V303-Q367 HydrophobicContact CG1-CB 3.65Å; V303-Q367 HydrophobicContact CG2-CB 4.2Å
304	A	98.6	Very high	91.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.2	175.6	0	0	0	0	0	113.1	A56 I321 V322 F365	A56-A304 HydrophobicContact CB-CB 3.72Å; A304-I321 CarbonylContact C-O 3.59Å; A304-I321 WeakPolarHBondContact CA-O 3.33Å; A304-V322 HydrophobicContact CB-CG1 3.91Å; A304-F365 HydrophobicContact CB-CB 4.05Å; A304-F365 HydrophobicContact CB-CD2 4.07Å; A304-F365 HydrophobicContact CB-CG 4.34Å; A304-F365 PolarHBondContact N-O 2.93Å; A304-F365 PolarHBondContact O-N 3.04Å
305	V	98.7	Very high	92	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	120.1	174.1	-176.9	0	0	0	0	107.5	F280 L302 V307 A320 I321 I363 L364	F280-V305 HydrophobicContact CD2-CG2 4.49Å; F280-V305 HydrophobicContact CE2-CG1 4.42Å; F280-V305 HydrophobicContact CE2-CG2 3.92Å; F280-V305 HydrophobicContact CZ-CG1 4.15Å; F280-V305 HydrophobicContact CZ-CG2 4.46Å; L302-V305 HydrophobicContact CD1-CG2 4.04Å; L302-V305 HydrophobicContact CD2-CG2 3.8Å; L302-V305 HydrophobicContact CG-CG2 4.18Å; V305-V307 HydrophobicContact CB-CG2 4.42Å; V305-V307 HydrophobicContact CG1-CG2 3.62Å; V305-A320 CarbonylContact O-C 3.49Å; V305-A320 WeakPolarHBondContact O-CA 3.2Å; V305-I321 HydrophobicContact CB-CB 4.24Å; V305-I321 PolarHBondContact N-O 3.08Å; V305-I321 PolarHBondContact O-N 2.99Å; V305-I363 CarbonylContact C-O 3.45Å; V305-I363 WeakPolarHBondContact CA-O 3.42Å; V305-L364 HydrophobicContact CB-CD2 4.44Å; V305-L364 HydrophobicContact CG1-CD2 3.81Å; V305-L364 HydrophobicContact CG2-CD2 4.13Å
306	V	98.8	Very high	92.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.2	162.7	175.2	0	0	0	0	107.2	V53 A56 A125 Y318 Y362 I363 F365	V53-V306 HydrophobicContact CG2-CG2 4.23Å; A56-V306 HydrophobicContact CB-CG2 3.93Å; A125-V306 HydrophobicContact CB-CG1 3.98Å; V306-Y318 HydrophobicContact CG1-CD1 3.69Å; V306-Y318 HydrophobicContact CG1-CE1 4.21Å; V306-Y362 WeakPolarHBondContact O-CA 3.27Å; V306-Y362 WeakPolarHBondContact O-CB 3.46Å; V306-Y362 PolarHBondContact O-N 3.01Å; V306-I363 HydrophobicContact CB-CB 4.01Å; V306-I363 HydrophobicContact CB-CD1 4.38Å; V306-I363 HydrophobicContact CB-CG1 4.29Å; V306-I363 HydrophobicContact CG2-CB 4.36Å; V306-I363 PolarHBondContact N-O 2.76Å; V306-I363 PolarHBondContact O-N 3.09Å; V306-F365 HydrophobicContact CG2-CE2 4.07Å
307	V	98.6	Very high	93.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.9	-176.8	176.2	0	0	0	0	109	V305 Y318 I319 I321 F347 E359 S360	V305-V307 HydrophobicContact CB-CG2 4.42Å; V305-V307 HydrophobicContact CG1-CG2 3.62Å; V307-Y318 WeakPolarHBondContact O-CA 3.32Å; V307-Y318 WeakPolarHBondContact O-CD1 3.47Å; V307-I319 HydrophobicContact CB-CD1 4.26Å; V307-I319 HydrophobicContact CB-CG1 3.65Å; V307-I319 HydrophobicContact CG1-CD1 4.27Å; V307-I319 HydrophobicContact CG1-CG1 4.09Å; V307-I319 HydrophobicContact CG2-CG1 4.37Å; V307-I319 PolarHBondContact N-O 3.02Å; V307-I319 PolarHBondContact O-N 2.84Å; V307-I319 VanDerWaalsContact O-N 3.09Å; V307-I321 HydrophobicContact CG2-CD1 3.64Å; V307-I321 HydrophobicContact CG2-CG1 4.37Å; V307-F347 HydrophobicContact CB-CD1 4.4Å; V307-F347 HydrophobicContact CG1-CD1 3.63Å; V307-F347 HydrophobicContact CG1-CE1 4.3Å; V307-F347 HydrophobicContact CG1-CG 4.37Å; V307-F347 HydrophobicContact CG2-CB 4.09Å; V307-F347 HydrophobicContact CG2-CD1 3.94Å; V307-F347 HydrophobicContact CG2-CG 3.98Å; V307-E359 HydrophobicContact CG1-CB 4.04Å; V307-S360 WeakPolarHBondContact CA-O 3.37Å
308	H	97.9	Very high	94.5	Very high	6 Å²	6	35 Å²	35	3%	0.028	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118	171.6	-178.9	-104.6	0	0	0	110.8	F262 K273 G312 Y318 S360	F262-H308 AromaticContact CZ-ND1 3.88Å; K273-H308 WeakPolarHBondContact CE-ND1 3.36Å; K273-H308 PolarHBondContact NZ-ND1 2.77Å; K273-H308 PolarHBondContact NZ-O 2.84Å; H308-G312 PolarHBondContact CE1-O 3.35Å; H308-Y318 HydrophobicContact CB-CD1 4.04Å; H308-Y318 HydrophobicContact CB-CE1 3.62Å; H308-Y318 AromaticContact CD2-CE1 3.69Å; H308-Y318 AromaticContact CD2-CE2 3.66Å; H308-Y318 AromaticContact CD2-CZ 3.43Å; H308-Y318 VanDerWaalsContact CD2-CZ 3.43Å; H308-S360 PolarHBondContact N-O 3.11Å; H308-S360 PolarHBondContact O-N 3.24Å; H308-S360 VanDerWaalsContact O-N 3.09Å
309	C	96.5	Very high	94.8	Very high	16 Å²	16	33.2 Å²	33.2	11%	0.108	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	118.2	176.6	-53.1	0	0	0	0	109.3	G316 H317 S358 E359	C309-G316 CarbonylContact O-C 3.59Å; C309-G316 WeakPolarHBondContact O-CA 3.29Å; C309-H317 HydrophobicContact CB-CB 4.35Å; C309-H317 WeakPolarHBondContact CB-O 3.38Å; C309-H317 PolarHBondContact N-O 3.05Å; C309-H317 PolarHBondContact O-N 3.02Å; C309-S358 WeakPolarHBondContact CA-O 3.2Å; C309-E359 HydrophobicContact CB-CG 4.16Å
310	G	94	Very high	95	Very high	6 Å²	6	30.7 Å²	30.7	6%	0.062	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.7	158	-178.6	0	0	0	0	0	112.8	K273 N357 S358	K273-G310 WeakPolarHBondContact CD-O 3.35Å; K273-G310 PolarHBondContact NZ-O 3.38Å; G310-N357 WeakPolarHBondContact CA-OD1 3.47Å; G310-N357 PolarHBondContact N-OD1 3.42Å; G310-S358 PolarHBondContact N-O 3.23Å; G310-S358 PolarHBondContact O-N 2.87Å
311	S	90.5	Very high	95.1	Very high	77 Å²	77	30.7 Å²	30.7	54%	0.538	17%	0.165	S	C	.	.	S	Bend	trans	-89.5	-12.9	177	58	0	0	0	0	113.9	N357	S311-N357 PolarHBondContact N-OD1 3.43Å
312	G	89	Confident	95.2	Very high	18 Å²	18	28.9 Å²	28.9	19%	0.186	16%	0.156	C	C	.	.	S	Bend	trans	-145.3	177.6	-176.4	0	0	0	0	0	113	H308	H308-G312 PolarHBondContact CE1-O 3.35Å
313	P	86.1	Confident	95.1	Very high	36 Å²	36	32.3 Å²	32.3	23%	0.234	17%	0.17	C	C	.	.	S	Bend	trans	-79.6	-30	-178.1	29.3	-33.9	0	0	0	113.7	F262	F262-P313 HydrophobicContact CD1-CB 3.64Å; F262-P313 HydrophobicContact CE1-CB 3.98Å; F262-P313 HydrophobicContact CG-CB 4.35Å
314	N	84.1	Confident	95	Very high	140 Å²	140	31.7 Å²	31.7	75%	0.749	17%	0.167	S	C	*	.	S	Bend	trans	-86.1	-14.2	-169.5	-59.4	-18.8	0	0	0	114
315	R	88.3	Confident	94.6	Very high	206 Å²	206	36.9 Å²	36.9	78%	0.777	19%	0.191	S	C	*	.	S	Bend	trans	-145	128.7	-179.1	-70.1	-169.4	-176.4	-152.3	0.6	110
316	G	91.9	Very high	94.1	Very high	17 Å²	17	44.5 Å²	44.5	18%	0.175	23%	0.231	C	C	.	.			trans	-174.3	-164.9	174	0	0	0	0	0	111.6	Q122 C309	Q122-G316 VanDerWaalsContact CD-O 3.25Å; Q122-G316 PolarHBondContact NE2-O 3.32Å; Q122-G316 PolarHBondContact OE1-O 2.97Å; Q122-G316 VanDerWaalsContact OE1-O 3.14Å; C309-G316 CarbonylContact O-C 3.59Å; C309-G316 WeakPolarHBondContact O-CA 3.29Å
317	H	96.7	Very high	93.9	Very high	50 Å²	50	45.1 Å²	45.1	23%	0.231	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.3	179.1	-178.3	56.5	0	0	0	108.4	C48 C309 D332 D333	C48-H317 WeakPolarHBondContact CB-ND1 3.38Å; C48-H317 PolarHBondContact SG-ND1 3.32Å; C309-H317 HydrophobicContact CB-CB 4.35Å; C309-H317 WeakPolarHBondContact CB-O 3.38Å; C309-H317 PolarHBondContact N-O 3.05Å; C309-H317 PolarHBondContact O-N 3.02Å; H317-D332 IonicContact CD2-OD1 3.95Å; H317-D332 IonicContact CD2-OD2 3.89Å; H317-D332 IonicContact CE1-OD1 3.42Å; H317-D332 PolarHBondContact CE1-OD1 2.83Å; H317-D332 IonicContact NE2-OD1 3.51Å; H317-D332 PolarHBondContact NE2-OD1 3.32Å; H317-D332 IonicContact NE2-OD2 2.9Å; H317-D333 IonicContact CE1-OD2 3.82Å; H317-D333 PolarHBondContact CE1-OD2 3.29Å
318	Y	98.4	Very high	93.9	Very high	12 Å²	12	45.6 Å²	45.6	5%	0.047	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.5	178.9	-76.1	-84.1	0	0	0	110.5	S52 Q123 A125 V306 V307 H308 Y362	S52-Y318 WeakPolarHBondContact OG-CB 3.3Å; Q123-Y318 WeakPolarHBondContact O-CE2 3.47Å; A125-Y318 HydrophobicContact CB-CD1 3.88Å; A125-Y318 HydrophobicContact CB-CE1 3.52Å; A125-Y318 HydrophobicContact CB-CE2 4.21Å; A125-Y318 HydrophobicContact CB-CG 4.35Å; V306-Y318 HydrophobicContact CG1-CD1 3.69Å; V306-Y318 HydrophobicContact CG1-CE1 4.21Å; V307-Y318 WeakPolarHBondContact O-CA 3.32Å; V307-Y318 WeakPolarHBondContact O-CD1 3.47Å; H308-Y318 HydrophobicContact CB-CD1 4.04Å; H308-Y318 HydrophobicContact CB-CE1 3.62Å; H308-Y318 AromaticContact CD2-CE1 3.69Å; H308-Y318 AromaticContact CD2-CE2 3.66Å; H308-Y318 AromaticContact CD2-CZ 3.43Å; H308-Y318 VanDerWaalsContact CD2-CZ 3.43Å; Y318-Y362 AromaticContact CE1-CD1 3.7Å; Y318-Y362 HydrophobicContact CE1-CD1 3.7Å; Y318-Y362 HydrophobicContact CE1-CE1 4.19Å; Y318-Y362 HydrophobicContact CE1-CG 4.46Å
319	I	98.6	Very high	93.9	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	162.9	171.5	66.4	178.1	0	0	0	109	V307 L330 F331 D332 F347	V307-I319 HydrophobicContact CB-CD1 4.26Å; V307-I319 HydrophobicContact CB-CG1 3.65Å; V307-I319 HydrophobicContact CG1-CD1 4.27Å; V307-I319 HydrophobicContact CG1-CG1 4.09Å; V307-I319 HydrophobicContact CG2-CG1 4.37Å; V307-I319 PolarHBondContact N-O 3.02Å; V307-I319 PolarHBondContact O-N 2.84Å; V307-I319 VanDerWaalsContact O-N 3.09Å; I319-L330 HydrophobicContact CD1-CD1 3.97Å; I319-L330 HydrophobicContact CD1-CD2 4.46Å; I319-L330 HydrophobicContact CD1-CG 4.23Å; I319-F331 WeakPolarHBondContact CA-O 3.48Å; I319-F331 WeakPolarHBondContact CB-O 3.22Å; I319-D332 HydrophobicContact CG2-CB 3.8Å; I319-F347 HydrophobicContact CD1-CE1 4.04Å
320	A	98.8	Very high	93.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.5	174.3	0	0	0	0	0	111.1	S52 Q55 V305 L330 F331	S52-A320 WeakPolarHBondContact O-CB 3.12Å; Q55-A320 HydrophobicContact CB-CB 3.86Å; V305-A320 CarbonylContact O-C 3.49Å; V305-A320 WeakPolarHBondContact O-CA 3.2Å; A320-L330 CarbonylContact O-C 3.56Å; A320-F331 HydrophobicContact CB-CB 4.36Å; A320-F331 PolarHBondContact N-O 2.93Å; A320-F331 PolarHBondContact O-N 3.37Å
321	I	98.5	Very high	94.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.8	171.7	-61	158.3	0	0	0	107.1	A304 V305 V307 W328 L329 I339 I344 F347	A304-I321 CarbonylContact C-O 3.59Å; A304-I321 WeakPolarHBondContact CA-O 3.33Å; V305-I321 HydrophobicContact CB-CB 4.24Å; V305-I321 PolarHBondContact N-O 3.08Å; V305-I321 PolarHBondContact O-N 2.99Å; V307-I321 HydrophobicContact CG2-CD1 3.64Å; V307-I321 HydrophobicContact CG2-CG1 4.37Å; I321-W328 HydrophobicContact CG2-CD2 4.47Å; I321-W328 HydrophobicContact CG2-CE3 3.56Å; I321-W328 HydrophobicContact CG2-CZ3 4.06Å; I321-L329 CarbonylContact C-O 3.59Å; I321-L329 VanDerWaalsContact CA-O 3.28Å; I321-L329 WeakPolarHBondContact CA-O 3.47Å; I321-I339 HydrophobicContact CD1-CD1 4.48Å; I321-I339 HydrophobicContact CG1-CD1 4.21Å; I321-I339 HydrophobicContact CG2-CD1 3.75Å; I321-I344 HydrophobicContact CG2-CG1 4.49Å; I321-F347 HydrophobicContact CD1-CB 4.46Å; I321-F347 HydrophobicContact CD1-CD1 4.09Å; I321-F347 HydrophobicContact CD1-CD2 3.08Å; I321-F347 HydrophobicContact CD1-CE1 4.06Å; I321-F347 HydrophobicContact CD1-CE2 3.11Å; I321-F347 HydrophobicContact CD1-CG 3.61Å; I321-F347 HydrophobicContact CD1-CZ 3.61Å; I321-F347 HydrophobicContact CG1-CD2 4.48Å; I321-F347 HydrophobicContact CG1-CE2 4.19Å; I321-F347 HydrophobicContact CG1-CZ 4.46Å
322	V	98.3	Very high	94.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.1	-175.6	-56.8	0	0	0	0	110.8	F59 V303 A304 W328 L329 F331	F59-V322 HydrophobicContact CB-CB 3.86Å; F59-V322 HydrophobicContact CB-CG1 4.02Å; F59-V322 HydrophobicContact CB-CG2 4.44Å; F59-V322 HydrophobicContact CD1-CB 4.25Å; F59-V322 HydrophobicContact CD1-CG2 3.98Å; F59-V322 HydrophobicContact CD2-CB 3.81Å; F59-V322 HydrophobicContact CD2-CG1 3.76Å; F59-V322 HydrophobicContact CD2-CG2 3.56Å; F59-V322 HydrophobicContact CE1-CG2 4.1Å; F59-V322 HydrophobicContact CE2-CB 4.44Å; F59-V322 HydrophobicContact CE2-CG2 3.7Å; F59-V322 HydrophobicContact CG-CB 3.69Å; F59-V322 HydrophobicContact CG-CG1 4.02Å; F59-V322 HydrophobicContact CG-CG2 3.71Å; F59-V322 HydrophobicContact CZ-CG2 3.96Å; V303-V322 WeakPolarHBondContact O-CA 3.22Å; A304-V322 HydrophobicContact CB-CG1 3.91Å; V322-W328 VanDerWaalsContact C-CE3 3.41Å; V322-W328 WeakPolarHBondContact O-CA 3.43Å; V322-L329 HydrophobicContact CG2-CB 3.95Å; V322-L329 PolarHBondContact N-O 2.99Å; V322-L329 PolarHBondContact O-N 2.88Å; V322-F331 HydrophobicContact CG2-CD2 3.77Å; V322-F331 HydrophobicContact CG2-CE2 3.37Å; V322-F331 HydrophobicContact CG2-CZ 4.47Å
323	K	97	Very high	95	Very high	73 Å²	73	44.2 Å²	44.2	32%	0.317	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.5	172.4	-166.2	179	-179.4	-177.7	0	108.7	V303 H325 W328	V303-K323 PolarHBondContact O-N 3.04Å; K323-H325 VanDerWaalsContact CE-O 3.24Å; K323-H325 WeakPolarHBondContact CE-O 3.32Å; K323-W328 HydrophobicContact CB-CD2 4.17Å; K323-W328 HydrophobicContact CB-CE3 3.94Å; K323-W328 HydrophobicContact CB-CH2 3.81Å; K323-W328 HydrophobicContact CB-CZ2 4Å; K323-W328 HydrophobicContact CB-CZ3 3.78Å; K323-W328 HydrophobicContact CD-CH2 4.42Å; K323-W328 HydrophobicContact CD-CZ2 3.97Å; K323-W328 HydrophobicContact CG-CD2 4.39Å; K323-W328 HydrophobicContact CG-CH2 4.42Å; K323-W328 HydrophobicContact CG-CZ2 4.1Å
324	S	94.7	Very high	95.5	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.9	166.9	-174.6	0	0	0	0	108.5	Y38 D326 F327	Y38-S324 PolarHBondContact OH-OG 3.14Å; S324-D326 PolarHBondContact O-N 3.37Å; S324-D326 VanDerWaalsContact O-N 3.08Å; S324-F327 PolarHBondContact N-O 3.37Å; S324-F327 WeakPolarHBondContact O-CD1 3.41Å; S324-F327 PolarHBondContact O-N 2.89Å
325	H	90.4	Very high	96.1	Very high	108 Å²	108	44 Å²	44	50%	0.5	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-115	-175.7	-58.3	62.8	0	0	0	110.4	P33 E36 K323	P33-H325 WeakPolarHBondContact CB-CE1 3.43Å; P33-H325 HydrophobicContact CG-CB 4.37Å; P33-H325 WeakPolarHBondContact CG-CE1 3.22Å; P33-H325 WeakPolarHBondContact CG-ND1 3.44Å; E36-H325 IonicContact OE1-CE1 2.65Å; K323-H325 VanDerWaalsContact CE-O 3.24Å; K323-H325 WeakPolarHBondContact CE-O 3.32Å
326	D	89.8	Confident	96.6	Very high	160 Å²	160	35.2 Å²	35.2	86%	0.856	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	5.7	-173.6	-61.2	-43.1	0	0	0	114.2	S324	S324-D326 PolarHBondContact O-N 3.37Å; S324-D326 VanDerWaalsContact O-N 3.08Å
327	F	94.4	Very high	96.8	Very high	13 Å²	13	39.2 Å²	39.2	6%	0.057	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	166.5	-179.7	61.8	-91.8	0	0	0	112.8	I27 Y38 S324 L329	I27-F327 HydrophobicContact CD1-CE2 3.8Å; I27-F327 HydrophobicContact CD1-CZ 3.94Å; I27-F327 HydrophobicContact CG1-CE2 4.01Å; I27-F327 HydrophobicContact CG1-CZ 4.19Å; I27-F327 HydrophobicContact CG2-CE1 3.86Å; I27-F327 HydrophobicContact CG2-CE2 4.38Å; I27-F327 HydrophobicContact CG2-CZ 3.74Å; Y38-F327 HydrophobicContact CE2-CE2 4.24Å; Y38-F327 HydrophobicContact CE2-CZ 4.01Å; Y38-F327 AromaticContact CZ-CZ 3.93Å; Y38-F327 WeakPolarHBondContact OH-CZ 3.5Å; S324-F327 PolarHBondContact N-O 3.37Å; S324-F327 WeakPolarHBondContact O-CD1 3.41Å; S324-F327 PolarHBondContact O-N 2.89Å; F327-L329 HydrophobicContact CD2-CD2 4.06Å; F327-L329 HydrophobicContact CD2-CG 4.07Å; F327-L329 HydrophobicContact CE2-CD1 4.04Å; F327-L329 HydrophobicContact CE2-CD2 3.81Å; F327-L329 HydrophobicContact CE2-CG 3.82Å
328	W	97.4	Very high	96.7	Very high	11 Å²	11	38.8 Å²	38.8	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.6	-178.3	-68.1	92	0	0	0	111.3	L282 L302 I321 V322 K323 I339 I344	L282-W328 HydrophobicContact CD2-CH2 4.36Å; L282-W328 HydrophobicContact CD2-CZ2 3.77Å; L302-W328 HydrophobicContact CB-CH2 4.16Å; L302-W328 HydrophobicContact CD2-CH2 3.89Å; L302-W328 HydrophobicContact CG-CH2 3.9Å; L302-W328 WeakPolarHBondContact O-CH2 3Å; I321-W328 HydrophobicContact CG2-CD2 4.47Å; I321-W328 HydrophobicContact CG2-CE3 3.56Å; I321-W328 HydrophobicContact CG2-CZ3 4.06Å; V322-W328 VanDerWaalsContact C-CE3 3.41Å; V322-W328 WeakPolarHBondContact O-CA 3.43Å; K323-W328 HydrophobicContact CB-CD2 4.17Å; K323-W328 HydrophobicContact CB-CE3 3.94Å; K323-W328 HydrophobicContact CB-CH2 3.81Å; K323-W328 HydrophobicContact CB-CZ2 4Å; K323-W328 HydrophobicContact CB-CZ3 3.78Å; K323-W328 HydrophobicContact CD-CH2 4.42Å; K323-W328 HydrophobicContact CD-CZ2 3.97Å; K323-W328 HydrophobicContact CG-CD2 4.39Å; K323-W328 HydrophobicContact CG-CH2 4.42Å; K323-W328 HydrophobicContact CG-CZ2 4.1Å; W328-I339 HydrophobicContact CB-CD1 4.33Å; W328-I339 HydrophobicContact CB-CG1 3.68Å; W328-I339 PolarHBondContact O-N 3.5Å; W328-I344 HydrophobicContact CD2-CD1 3.36Å; W328-I344 HydrophobicContact CE3-CD1 3.78Å; W328-I344 HydrophobicContact CG-CD1 3.72Å; W328-I344 HydrophobicContact CH2-CD1 4.11Å; W328-I344 HydrophobicContact CZ2-CD1 3.75Å; W328-I344 HydrophobicContact CZ3-CD1 4.12Å
329	L	97.8	Very high	96.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.8	176.9	-66.5	175.8	0	0	0	109.6	L23 I27 Y38 I321 V322 F327 F331 E337 K338	L23-L329 HydrophobicContact CD1-CD2 3.93Å; I27-L329 HydrophobicContact CD1-CD2 4.34Å; Y38-L329 HydrophobicContact CD1-CD1 3.45Å; Y38-L329 VanDerWaalsContact CD1-CD1 3.45Å; Y38-L329 HydrophobicContact CD2-CD1 3.98Å; Y38-L329 HydrophobicContact CE1-CD1 3.58Å; Y38-L329 HydrophobicContact CE2-CD1 4.11Å; Y38-L329 HydrophobicContact CG-CD1 3.66Å; I321-L329 CarbonylContact C-O 3.59Å; I321-L329 VanDerWaalsContact CA-O 3.28Å; I321-L329 WeakPolarHBondContact CA-O 3.47Å; V322-L329 HydrophobicContact CG2-CB 3.95Å; V322-L329 PolarHBondContact N-O 2.99Å; V322-L329 PolarHBondContact O-N 2.88Å; F327-L329 HydrophobicContact CD2-CD2 4.06Å; F327-L329 HydrophobicContact CD2-CG 4.07Å; F327-L329 HydrophobicContact CE2-CD1 4.04Å; F327-L329 HydrophobicContact CE2-CD2 3.81Å; F327-L329 HydrophobicContact CE2-CG 3.82Å; L329-F331 HydrophobicContact CB-CD2 4.19Å; L329-F331 HydrophobicContact CB-CE2 3.64Å; L329-F331 HydrophobicContact CD1-CE2 4.04Å; L329-F331 HydrophobicContact CD1-CZ 4.23Å; L329-E337 CarbonylContact C-O 3.07Å; L329-E337 VanDerWaalsContact CA-O 3.29Å; L329-E337 WeakPolarHBondContact CA-O 3.24Å; L329-K338 HydrophobicContact CD2-CB 4.18Å
330	L	98.4	Very high	96.4	Very high	23 Å²	23	44.5 Å²	44.5	12%	0.12	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.1	170.3	-174.6	154.8	0	0	0	108.5	I319 A320 D332 V336 E337 I339 F347	I319-L330 HydrophobicContact CD1-CD1 3.97Å; I319-L330 HydrophobicContact CD1-CD2 4.46Å; I319-L330 HydrophobicContact CD1-CG 4.23Å; A320-L330 CarbonylContact O-C 3.56Å; L330-D332 HydrophobicContact CD2-CB 3.89Å; L330-V336 WeakPolarHBondContact O-CA 3.47Å; L330-E337 PolarHBondContact N-O 3.47Å; L330-E337 PolarHBondContact O-N 2.97Å; L330-I339 HydrophobicContact CB-CD1 4.4Å; L330-I339 HydrophobicContact CB-CG2 3.75Å; L330-I339 HydrophobicContact CD1-CG2 4.22Å; L330-F347 HydrophobicContact CD1-CZ 4.13Å
331	F	98.6	Very high	96.1	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	110.5	175.8	-73.2	-98	0	0	0	108.8	Q55 F59 I319 A320 V322 L329 V336	Q55-F331 HydrophobicContact CB-CB 4.38Å; Q55-F331 HydrophobicContact CB-CG 4.37Å; Q55-F331 HydrophobicContact CG-CB 3.93Å; Q55-F331 HydrophobicContact CG-CD1 3.94Å; Q55-F331 HydrophobicContact CG-CG 3.97Å; F59-F331 AromaticContact CE2-CE2 3.75Å; F59-F331 HydrophobicContact CE2-CE2 3.75Å; F59-F331 AromaticContact CE2-CZ 3.65Å; F59-F331 HydrophobicContact CE2-CZ 3.65Å; F59-F331 HydrophobicContact CZ-CE2 4.04Å; F59-F331 AromaticContact CZ-CZ 3.83Å; F59-F331 HydrophobicContact CZ-CZ 3.83Å; I319-F331 WeakPolarHBondContact CA-O 3.48Å; I319-F331 WeakPolarHBondContact CB-O 3.22Å; A320-F331 HydrophobicContact CB-CB 4.36Å; A320-F331 PolarHBondContact N-O 2.93Å; A320-F331 PolarHBondContact O-N 3.37Å; V322-F331 HydrophobicContact CG2-CD2 3.77Å; V322-F331 HydrophobicContact CG2-CE2 3.37Å; V322-F331 HydrophobicContact CG2-CZ 4.47Å; L329-F331 HydrophobicContact CB-CD2 4.19Å; L329-F331 HydrophobicContact CB-CE2 3.64Å; L329-F331 HydrophobicContact CD1-CE2 4.04Å; L329-F331 HydrophobicContact CD1-CZ 4.23Å; F331-V336 HydrophobicContact CD1-CB 4.33Å; F331-V336 HydrophobicContact CD1-CG1 3.98Å; F331-V336 HydrophobicContact CD1-CG2 3.51Å; F331-V336 HydrophobicContact CD2-CG1 4.33Å; F331-V336 HydrophobicContact CE1-CB 4.23Å; F331-V336 HydrophobicContact CE1-CG1 3.64Å; F331-V336 HydrophobicContact CE1-CG2 3.49Å; F331-V336 VanDerWaalsContact CE1-CG2 3.49Å; F331-V336 HydrophobicContact CE2-CG1 3.97Å; F331-V336 HydrophobicContact CG-CG1 4.33Å; F331-V336 HydrophobicContact CG-CG2 4.42Å; F331-V336 HydrophobicContact CZ-CG1 3.64Å; F331-V336 HydrophobicContact CZ-CG2 4.34Å
332	D	98.3	Very high	95.9	Very high	51 Å²	51	53.8 Å²	53.8	27%	0.273	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	90.7	172.9	-175.2	-15.6	0	0	0	107.9	H317 I319 L330 D334 I335	H317-D332 IonicContact CD2-OD1 3.95Å; H317-D332 IonicContact CD2-OD2 3.89Å; H317-D332 IonicContact CE1-OD1 3.42Å; H317-D332 PolarHBondContact CE1-OD1 2.83Å; H317-D332 IonicContact NE2-OD1 3.51Å; H317-D332 PolarHBondContact NE2-OD1 3.32Å; H317-D332 IonicContact NE2-OD2 2.9Å; I319-D332 HydrophobicContact CG2-CB 3.8Å; L330-D332 HydrophobicContact CD2-CB 3.89Å; D332-D334 PolarHBondContact O-N 2.71Å; D332-I335 HydrophobicContact CB-CB 4.45Å; D332-I335 PolarHBondContact N-O 2.9Å; D332-I335 WeakPolarHBondContact O-CB 3.46Å; D332-I335 PolarHBondContact O-N 3.18Å
333	D	98.4	Very high	95.7	Very high	16 Å²	16	55 Å²	55	9%	0.086	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	-108.7	-173.2	-72.1	-35.2	0	0	0	112.3	G40 L41 N43 C48 N51 H317 I335	G40-D333 CarbonylContact C-O 3.57Å; G40-D333 VanDerWaalsContact C-O 3.31Å; G40-D333 WeakPolarHBondContact CA-O 3.41Å; L41-D333 PolarHBondContact N-O 2.97Å; L41-D333 CarbonylContact O-C 3.44Å; L41-D333 WeakPolarHBondContact O-CA 3.42Å; N43-D333 HydrophobicContact CB-CB 4.36Å; N43-D333 WeakPolarHBondContact CB-OD2 3.01Å; N43-D333 PolarHBondContact ND2-OD2 3.27Å; C48-D333 WeakPolarHBondContact CA-OD1 3.48Å; N51-D333 WeakPolarHBondContact CB-OD1 3.4Å; N51-D333 PolarHBondContact ND2-OD1 3.22Å; H317-D333 IonicContact CE1-OD2 3.82Å; H317-D333 PolarHBondContact CE1-OD2 3.29Å; D333-I335 VanDerWaalsContact C-N 3.32Å
334	D	97	Very high	95.6	Very high	90 Å²	90	51.6 Å²	51.6	48%	0.481	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-4.4	-177.7	63	-24.7	0	0	0	114.3	L41 V100 D332	L41-D334 PolarHBondContact O-N 2.93Å; V100-D334 HydrophobicContact CB-CB 4.49Å; V100-D334 HydrophobicContact CG1-CB 3.62Å; V100-D334 HydrophobicContact CG2-CB 4Å; V100-D334 WeakPolarHBondContact CG2-O 3.45Å; D332-D334 PolarHBondContact O-N 2.71Å
335	I	97.3	Very high	95.6	Very high	82 Å²	82	56.2 Å²	56.2	42%	0.421	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.9	178.9	-58.1	175.9	0	0	0	110	D332 D333 E337	D332-I335 HydrophobicContact CB-CB 4.45Å; D332-I335 PolarHBondContact N-O 2.9Å; D332-I335 WeakPolarHBondContact O-CB 3.46Å; D332-I335 PolarHBondContact O-N 3.18Å; D333-I335 VanDerWaalsContact C-N 3.32Å; I335-E337 HydrophobicContact CG2-CG 3.9Å
336	V	97.6	Very high	95.8	Very high	20 Å²	20	57.7 Å²	57.7	12%	0.121	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	123	173.9	-168.6	0	0	0	0	109.2	L23 L330 F331	L23-V336 HydrophobicContact CD2-CB 3.9Å; L23-V336 HydrophobicContact CD2-CG1 3.62Å; L330-V336 WeakPolarHBondContact O-CA 3.47Å; F331-V336 HydrophobicContact CD1-CB 4.33Å; F331-V336 HydrophobicContact CD1-CG1 3.98Å; F331-V336 HydrophobicContact CD1-CG2 3.51Å; F331-V336 HydrophobicContact CD2-CG1 4.33Å; F331-V336 HydrophobicContact CE1-CB 4.23Å; F331-V336 HydrophobicContact CE1-CG1 3.64Å; F331-V336 HydrophobicContact CE1-CG2 3.49Å; F331-V336 VanDerWaalsContact CE1-CG2 3.49Å; F331-V336 HydrophobicContact CE2-CG1 3.97Å; F331-V336 HydrophobicContact CG-CG1 4.33Å; F331-V336 HydrophobicContact CG-CG2 4.42Å; F331-V336 HydrophobicContact CZ-CG1 3.64Å; F331-V336 HydrophobicContact CZ-CG2 4.34Å
337	E	95.9	Very high	96.1	Very high	102 Å²	102	50.3 Å²	50.3	48%	0.477	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148	-176.5	-68.4	-179.6	175.9	0	0	110.5	L329 L330 I335	L329-E337 CarbonylContact C-O 3.07Å; L329-E337 VanDerWaalsContact CA-O 3.29Å; L329-E337 WeakPolarHBondContact CA-O 3.24Å; L330-E337 PolarHBondContact N-O 3.47Å; L330-E337 PolarHBondContact O-N 2.97Å; I335-E337 HydrophobicContact CG2-CG 3.9Å
338	K	95.9	Very high	96.3	Very high	41 Å²	41	50.7 Å²	50.7	18%	0.178	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	137.8	169.4	174.5	176.8	168.9	-71.8	0	108	L23 E26 I27 L329 D340	L23-K338 HydrophobicContact CD1-CB 3.95Å; E26-K338 HydrophobicContact CG-CB 4.32Å; E26-K338 HydrophobicContact CG-CD 4.29Å; I27-K338 HydrophobicContact CG1-CD 4.03Å; L329-K338 HydrophobicContact CD2-CB 4.18Å; K338-D340 IonicContact NZ-OD1 3.76Å
339	I	95.9	Very high	96.2	Very high	23 Å²	23	50.8 Å²	50.8	12%	0.118	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.7	175.8	65.6	170.9	0	0	0	110	I321 W328 L330 A343 I344 F347	I321-I339 HydrophobicContact CD1-CD1 4.48Å; I321-I339 HydrophobicContact CG1-CD1 4.21Å; I321-I339 HydrophobicContact CG2-CD1 3.75Å; W328-I339 HydrophobicContact CB-CD1 4.33Å; W328-I339 HydrophobicContact CB-CG1 3.68Å; W328-I339 PolarHBondContact O-N 3.5Å; L330-I339 HydrophobicContact CB-CD1 4.4Å; L330-I339 HydrophobicContact CB-CG2 3.75Å; L330-I339 HydrophobicContact CD1-CG2 4.22Å; I339-A343 HydrophobicContact CB-CB 4.39Å; I339-I344 HydrophobicContact CD1-CG1 4.4Å; I339-F347 HydrophobicContact CD1-CE2 4.36Å
340	D	94.1	Very high	96	Very high	114 Å²	114	52.9 Å²	52.9	61%	0.61	28%	0.276	S	S	*	.			trans	-74.6	148	171.7	-69.9	-35.1	0	0	0	110.3	K338 Q342 A343	K338-D340 IonicContact NZ-OD1 3.76Å; D340-Q342 PolarHBondContact O-N 3.45Å; D340-Q342 VanDerWaalsContact O-N 3.07Å; D340-A343 VanDerWaalsContact O-CB 3.32Å; D340-A343 WeakPolarHBondContact O-CB 3.45Å; D340-A343 PolarHBondContact O-N 2.96Å
341	A	92.6	Very high	95.7	Very high	50 Å²	50	56.2 Å²	56.2	41%	0.413	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-57.2	-28.1	179.3	0	0	0	0	0	112.7	A343 I344	A341-A343 VanDerWaalsContact C-N 3.34Å; A341-I344 VanDerWaalsContact O-CB 3.29Å; A341-I344 WeakPolarHBondContact O-CB 3.48Å; A341-I344 WeakPolarHBondContact O-CG1 3.49Å; A341-I344 PolarHBondContact O-N 3.09Å
342	Q	93.9	Very high	95.2	Very high	146 Å²	146	60 Å²	60	68%	0.682	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-68.2	-30.9	176.4	-170.5	174.6	11	0	0	112.8	D340 I344 E345	D340-Q342 PolarHBondContact O-N 3.45Å; D340-Q342 VanDerWaalsContact O-N 3.07Å; Q342-I344 PolarHBondContact O-N 3.03Å; Q342-I344 VanDerWaalsContact O-N 3.15Å; Q342-E345 WeakPolarHBondContact O-CB 3.49Å; Q342-E345 WeakPolarHBondContact O-CG 3.34Å; Q342-E345 PolarHBondContact O-N 2.99Å; Q342-E345 VanDerWaalsContact O-N 3.12Å
343	A	93.9	Very high	94.7	Very high	25 Å²	25	61.9 Å²	61.9	21%	0.207	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-63.6	-20.2	176.6	0	0	0	0	0	111.9	I339 D340 A341 E345 E346 F347	I339-A343 HydrophobicContact CB-CB 4.39Å; D340-A343 VanDerWaalsContact O-CB 3.32Å; D340-A343 WeakPolarHBondContact O-CB 3.45Å; D340-A343 PolarHBondContact O-N 2.96Å; A341-A343 VanDerWaalsContact C-N 3.34Å; A343-E345 PolarHBondContact O-N 2.65Å; A343-E346 WeakPolarHBondContact O-CB 3.16Å; A343-E346 PolarHBondContact O-N 3.42Å; A343-E346 VanDerWaalsContact O-N 3.11Å; A343-F347 VanDerWaalsContact O-CE2 3.31Å; A343-F347 WeakPolarHBondContact O-CE2 3.44Å
344	I	95.1	Very high	94	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.005	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-60.5	-29.6	176.5	-59.5	176.2	0	0	0	111.7	F280 L282 I321 W328 I339 A341 Q342 E346 F347	F280-I344 HydrophobicContact CD2-CG2 4.45Å; F280-I344 HydrophobicContact CE2-CG2 3.55Å; F280-I344 HydrophobicContact CZ-CG2 4.26Å; L282-I344 HydrophobicContact CD2-CD1 4.06Å; I321-I344 HydrophobicContact CG2-CG1 4.49Å; W328-I344 HydrophobicContact CD2-CD1 3.36Å; W328-I344 HydrophobicContact CE3-CD1 3.78Å; W328-I344 HydrophobicContact CG-CD1 3.72Å; W328-I344 HydrophobicContact CH2-CD1 4.11Å; W328-I344 HydrophobicContact CZ2-CD1 3.75Å; W328-I344 HydrophobicContact CZ3-CD1 4.12Å; I339-I344 HydrophobicContact CD1-CG1 4.4Å; A341-I344 VanDerWaalsContact O-CB 3.29Å; A341-I344 WeakPolarHBondContact O-CB 3.48Å; A341-I344 WeakPolarHBondContact O-CG1 3.49Å; A341-I344 PolarHBondContact O-N 3.09Å; Q342-I344 PolarHBondContact O-N 3.03Å; Q342-I344 VanDerWaalsContact O-N 3.15Å; I344-E346 PolarHBondContact O-N 2.77Å; I344-F347 WeakPolarHBondContact O-CD2 3.38Å; I344-F347 PolarHBondContact O-N 3.17Å; I344-F347 VanDerWaalsContact O-N 3.11Å
345	E	95	Very high	93.2	Very high	101 Å²	101	65.1 Å²	65.1	47%	0.472	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-62.7	-26	179.1	-60.7	-173.6	-158.3	0	0	112.9	Q342 A343 F347 Y348	Q342-E345 WeakPolarHBondContact O-CB 3.49Å; Q342-E345 WeakPolarHBondContact O-CG 3.34Å; Q342-E345 PolarHBondContact O-N 2.99Å; Q342-E345 VanDerWaalsContact O-N 3.12Å; A343-E345 PolarHBondContact O-N 2.65Å; E345-F347 PolarHBondContact O-N 3.39Å; E345-Y348 HydrophobicContact CB-CD2 4.08Å; E345-Y348 HydrophobicContact CB-CE2 3.83Å; E345-Y348 HydrophobicContact CG-CD2 4.49Å; E345-Y348 HydrophobicContact CG-CE2 3.75Å; E345-Y348 WeakPolarHBondContact O-CB 3.06Å; E345-Y348 WeakPolarHBondContact O-CD2 3.37Å; E345-Y348 VanDerWaalsContact O-CG 3.29Å; E345-Y348 PolarHBondContact O-N 3.38Å
346	E	94.5	Very high	92.7	Very high	138 Å²	138	67 Å²	67	65%	0.645	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-64	-31.6	176.9	-59.9	-176.4	176.4	0	0	111.3	A343 I344 Y348	A343-E346 WeakPolarHBondContact O-CB 3.16Å; A343-E346 PolarHBondContact O-N 3.42Å; A343-E346 VanDerWaalsContact O-N 3.11Å; I344-E346 PolarHBondContact O-N 2.77Å; E346-Y348 VanDerWaalsContact C-N 3.25Å; E346-Y348 PolarHBondContact O-N 3.37Å
347	F	97.1	Very high	92.3	Very high	5 Å²	5	70.8 Å²	70.8	2%	0.022	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-82.8	2.5	179.9	-47.6	-69.7	0	0	0	113.6	F280 V307 I319 I321 L330 I339 A343 I344 E345 G349 E359 G361	F280-F347 HydrophobicContact CZ-CB 4.14Å; V307-F347 HydrophobicContact CB-CD1 4.4Å; V307-F347 HydrophobicContact CG1-CD1 3.63Å; V307-F347 HydrophobicContact CG1-CE1 4.3Å; V307-F347 HydrophobicContact CG1-CG 4.37Å; V307-F347 HydrophobicContact CG2-CB 4.09Å; V307-F347 HydrophobicContact CG2-CD1 3.94Å; V307-F347 HydrophobicContact CG2-CG 3.98Å; I319-F347 HydrophobicContact CD1-CE1 4.04Å; I321-F347 HydrophobicContact CD1-CB 4.46Å; I321-F347 HydrophobicContact CD1-CD1 4.09Å; I321-F347 HydrophobicContact CD1-CD2 3.08Å; I321-F347 HydrophobicContact CD1-CE1 4.06Å; I321-F347 HydrophobicContact CD1-CE2 3.11Å; I321-F347 HydrophobicContact CD1-CG 3.61Å; I321-F347 HydrophobicContact CD1-CZ 3.61Å; I321-F347 HydrophobicContact CG1-CD2 4.48Å; I321-F347 HydrophobicContact CG1-CE2 4.19Å; I321-F347 HydrophobicContact CG1-CZ 4.46Å; L330-F347 HydrophobicContact CD1-CZ 4.13Å; I339-F347 HydrophobicContact CD1-CE2 4.36Å; A343-F347 VanDerWaalsContact O-CE2 3.31Å; A343-F347 WeakPolarHBondContact O-CE2 3.44Å; I344-F347 WeakPolarHBondContact O-CD2 3.38Å; I344-F347 PolarHBondContact O-N 3.17Å; I344-F347 VanDerWaalsContact O-N 3.11Å; E345-F347 PolarHBondContact O-N 3.39Å; F347-G349 PolarHBondContact O-N 3.24Å; F347-E359 WeakPolarHBondContact CA-O 3.35Å; F347-E359 HydrophobicContact CD1-CB 3.84Å; F347-E359 HydrophobicContact CE1-CB 4.13Å; F347-E359 WeakPolarHBondContact CE1-OE2 3.49Å; F347-G361 PolarHBondContact O-N 3.49Å
348	Y	97.5	Very high	92.2	Very high	22 Å²	22	66.1 Å²	66.1	9%	0.086	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-63.9	-26.5	170.6	-65	-16.6	0	0	0	111.5	R261 R277 V278 V279 F280 E345 E346	R261-Y348 PolarHBondContact NH2-O 3.16Å; R261-Y348 VanDerWaalsContact NH2-O 3.14Å; R277-Y348 CarbonylContact C-O 3.57Å; R277-Y348 WeakPolarHBondContact CA-O 3.42Å; V278-Y348 PolarHBondContact N-O 3.19Å; V279-Y348 HydrophobicContact CB-CD2 4.39Å; V279-Y348 HydrophobicContact CB-CE2 4.32Å; V279-Y348 HydrophobicContact CG1-CD2 4.43Å; V279-Y348 HydrophobicContact CG1-CE2 3.87Å; V279-Y348 HydrophobicContact CG2-CD2 3.93Å; V279-Y348 HydrophobicContact CG2-CE2 4.12Å; V279-Y348 HydrophobicContact CG2-CG 4.48Å; F280-Y348 AromaticContact CD1-CD1 3.75Å; F280-Y348 HydrophobicContact CD1-CD1 3.75Å; F280-Y348 HydrophobicContact CD1-CE1 4.01Å; F280-Y348 HydrophobicContact CD2-CD1 4.29Å; F280-Y348 AromaticContact CD2-CE1 3.77Å; F280-Y348 HydrophobicContact CD2-CE1 3.77Å; F280-Y348 AromaticContact CE1-CD1 3.49Å; F280-Y348 HydrophobicContact CE1-CD1 3.49Å; F280-Y348 VanDerWaalsContact CE1-CD1 3.49Å; F280-Y348 AromaticContact CE1-CE1 3.98Å; F280-Y348 HydrophobicContact CE1-CE1 3.98Å; F280-Y348 HydrophobicContact CE2-CD1 4.03Å; F280-Y348 AromaticContact CE2-CE1 3.71Å; F280-Y348 HydrophobicContact CE2-CE1 3.71Å; F280-Y348 HydrophobicContact CG-CD1 4.15Å; F280-Y348 AromaticContact CG-CE1 3.92Å; F280-Y348 HydrophobicContact CG-CE1 3.92Å; F280-Y348 AromaticContact CZ-CD1 3.62Å; F280-Y348 HydrophobicContact CZ-CD1 3.62Å; F280-Y348 AromaticContact CZ-CE1 3.81Å; F280-Y348 HydrophobicContact CZ-CE1 3.81Å; F280-Y348 PolarHBondContact O-OH 2.82Å; E345-Y348 HydrophobicContact CB-CD2 4.08Å; E345-Y348 HydrophobicContact CB-CE2 3.83Å; E345-Y348 HydrophobicContact CG-CD2 4.49Å; E345-Y348 HydrophobicContact CG-CE2 3.75Å; E345-Y348 WeakPolarHBondContact O-CB 3.06Å; E345-Y348 WeakPolarHBondContact O-CD2 3.37Å; E345-Y348 VanDerWaalsContact O-CG 3.29Å; E345-Y348 PolarHBondContact O-N 3.38Å; E346-Y348 VanDerWaalsContact C-N 3.25Å; E346-Y348 PolarHBondContact O-N 3.37Å
349	G	95.2	Very high	92.2	Very high	12 Å²	12	68.1 Å²	68.1	12%	0.124	37%	0.372	C	S	.	.			trans	109.5	-167.6	-174.5	0	0	0	0	0	111.8	F347	F347-G349 PolarHBondContact O-N 3.24Å
350	L	94.2	Very high	92.3	Very high	45 Å²	45	67 Å²	67	24%	0.236	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-95.4	129.7	-169.8	-59.7	178.1	0	0	0	112.3	Q208 S275 R277 S352 D353 I354 K356	Q208-L350 PolarHBondContact NE2-O 3.33Å; S275-L350 PolarHBondContact O-N 3.33Å; R277-L350 PolarHBondContact N-O 2.95Å; L350-S352 WeakPolarHBondContact CB-O 3.4Å; L350-D353 WeakPolarHBondContact CD1-O 3.34Å; L350-I354 HydrophobicContact CB-CG2 4.45Å; L350-K356 HydrophobicContact CD1-CB 4.26Å
351	T	92.3	Very high	92.4	Very high	92 Å²	92	61.6 Å²	61.6	56%	0.564	34%	0.337	S	S	*	.	S	Bend	trans	-72.3	-37	171.6	-48.1	0	0	0	0	111.8	Q208 R277	Q208-T351 PolarHBondContact NE2-O 2.84Å; Q208-T351 VanDerWaalsContact NE2-O 3.11Å; R277-T351 WeakPolarHBondContact CD-OG1 3.37Å
352	S	88.3	Confident	92.7	Very high	83 Å²	83	59.3 Å²	59.3	58%	0.58	32%	0.318	S	S	*	.	S	Bend	trans	-138.2	165.9	-179	56.9	0	0	0	0	110.4	L350 I354	L350-S352 WeakPolarHBondContact CB-O 3.4Å; S352-I354 VanDerWaalsContact C-N 3.31Å; S352-I354 PolarHBondContact O-N 2.98Å
353	D	86.3	Confident	92.9	Very high	92 Å²	92	52.4 Å²	52.4	49%	0.492	29%	0.286	S	S	.	.			trans	53.3	44.2	-178.2	-63.5	-20.1	0	0	0	113.9	L350 S355 K356	L350-D353 WeakPolarHBondContact CD1-O 3.34Å; D353-S355 PolarHBondContact O-N 2.85Å; D353-K356 HydrophobicContact CB-CD 3.7Å; D353-K356 HydrophobicContact CB-CG 4.02Å; D353-K356 WeakPolarHBondContact O-CB 3.25Å; D353-K356 PolarHBondContact O-N 2.95Å; D353-K356 WeakPolarHBondContact OD2-CE 3.21Å; D353-K356 IonicContact OD2-NZ 3.54Å; D353-K356 PolarHBondContact OD2-NZ 3.32Å
354	I	85.1	Confident	93.2	Very high	72 Å²	72	51.2 Å²	51.2	37%	0.369	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-12	-174.7	55.7	165.6	0	0	0	115.5	S275 Y276 L350 S352	S275-I354 VanDerWaalsContact CB-O 3.26Å; S275-I354 WeakPolarHBondContact CB-O 3.32Å; S275-I354 PolarHBondContact OG-O 2.71Å; Y276-I354 HydrophobicContact CD1-CD1 4.41Å; Y276-I354 HydrophobicContact CD1-CG2 4.34Å; Y276-I354 HydrophobicContact CE1-CD1 3.81Å; L350-I354 HydrophobicContact CB-CG2 4.45Å; S352-I354 VanDerWaalsContact C-N 3.31Å; S352-I354 PolarHBondContact O-N 2.98Å
355	S	79.4	Confident	93.3	Very high	101 Å²	101	51.1 Å²	51.1	71%	0.706	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-8.1	174.5	63.5	0	0	0	0	114.2	D353	D353-S355 PolarHBondContact O-N 2.85Å
356	K	86.7	Confident	93.5	Very high	121 Å²	121	46.3 Å²	46.3	53%	0.526	25%	0.253	S	S	.	.	S	Bend	trans	-78.2	171.6	178.5	-72.4	-175.7	-180	165.2	0	111.6	L350 D353 S358	L350-K356 HydrophobicContact CD1-CB 4.26Å; D353-K356 HydrophobicContact CB-CD 3.7Å; D353-K356 HydrophobicContact CB-CG 4.02Å; D353-K356 WeakPolarHBondContact O-CB 3.25Å; D353-K356 PolarHBondContact O-N 2.95Å; D353-K356 WeakPolarHBondContact OD2-CE 3.21Å; D353-K356 IonicContact OD2-NZ 3.54Å; D353-K356 PolarHBondContact OD2-NZ 3.32Å; K356-S358 PolarHBondContact O-N 2.96Å
357	N	90.3	Very high	93.6	Very high	101 Å²	101	41.9 Å²	41.9	54%	0.54	23%	0.232	S	C	.	.			trans	-56.8	133.8	171.1	-169.6	42.9	0	0	0	109.8	G310 S311	G310-N357 WeakPolarHBondContact CA-OD1 3.47Å; G310-N357 PolarHBondContact N-OD1 3.42Å; S311-N357 PolarHBondContact N-OD1 3.43Å
358	S	93.4	Very high	93.6	Very high	3 Å²	3	42 Å²	42	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.2	179.2	63	0	0	0	0	110.2	K273 S275 C309 G310 K356 S360	K273-S358 WeakPolarHBondContact CE-OG 3.21Å; K273-S358 PolarHBondContact NZ-O 2.96Å; K273-S358 PolarHBondContact NZ-OG 2.92Å; S275-S358 VanDerWaalsContact CB-OG 3.26Å; S275-S358 WeakPolarHBondContact CB-OG 3.43Å; S275-S358 PolarHBondContact OG-OG 3.39Å; C309-S358 WeakPolarHBondContact CA-O 3.2Å; G310-S358 PolarHBondContact N-O 3.23Å; G310-S358 PolarHBondContact O-N 2.87Å; K356-S358 PolarHBondContact O-N 2.96Å; S358-S360 PolarHBondContact OG-OG 3.18Å
359	E	96	Very high	93.4	Very high	84 Å²	84	47 Å²	47	39%	0.393	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	110.7	166.5	-53.4	-174	-174.1	0	0	104.9	V307 C309 F347	V307-E359 HydrophobicContact CG1-CB 4.04Å; C309-E359 HydrophobicContact CB-CG 4.16Å; F347-E359 WeakPolarHBondContact CA-O 3.35Å; F347-E359 HydrophobicContact CD1-CB 3.84Å; F347-E359 HydrophobicContact CE1-CB 4.13Å; F347-E359 WeakPolarHBondContact CE1-OE2 3.49Å
360	S	97	Very high	92.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.6	-169.7	-59.2	0	0	0	0	110.2	V307 H308 S358 Y362	V307-S360 WeakPolarHBondContact CA-O 3.37Å; H308-S360 PolarHBondContact N-O 3.11Å; H308-S360 PolarHBondContact O-N 3.24Å; H308-S360 VanDerWaalsContact O-N 3.09Å; S358-S360 PolarHBondContact OG-OG 3.18Å; S360-Y362 PolarHBondContact O-N 2.94Å
361	G	97.9	Very high	92.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	126.3	170.1	0	0	0	0	0	109.3	L259 R261 F347	L259-G361 WeakPolarHBondContact CD1-O 3.17Å; R261-G361 PolarHBondContact NE-O 3.02Å; R261-G361 PolarHBondContact NH2-O 3.36Å; F347-G361 PolarHBondContact O-N 3.49Å
362	Y	98.2	Very high	92.8	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-45.2	-169.2	-178.1	-123.9	0	0	0	111.3	D124 A125 H126 H258 L259 R261 F262 V306 Y318 S360	D124-Y362 VanDerWaalsContact OD1-CE1 3.29Å; D124-Y362 WeakPolarHBondContact OD1-CE1 3.18Å; D124-Y362 PolarHBondContact OD1-OH 3.25Å; D124-Y362 PolarHBondContact OD2-OH 3.01Å; A125-Y362 HydrophobicContact CB-CD1 4.39Å; A125-Y362 HydrophobicContact CB-CE1 4.38Å; H126-Y362 HydrophobicContact CB-CE1 3.95Å; H258-Y362 AromaticContact CD2-CE2 3.49Å; H258-Y362 VanDerWaalsContact CD2-CE2 3.49Å; H258-Y362 WeakPolarHBondContact CD2-CE2 3.2Å; H258-Y362 AromaticContact CD2-CZ 3.59Å; H258-Y362 AromaticContact NE2-CE2 3.21Å; H258-Y362 WeakPolarHBondContact NE2-CE2 3.29Å; H258-Y362 AromaticContact NE2-CZ 3.29Å; H258-Y362 VanDerWaalsContact NE2-CZ 3.29Å; H258-Y362 PolarHBondContact NE2-OH 3.32Å; H258-Y362 VanDerWaalsContact NE2-OH 3.09Å; L259-Y362 PolarHBondContact N-O 3.22Å; L259-Y362 WeakPolarHBondContact O-CD2 3.26Å; L259-Y362 WeakPolarHBondContact O-CE2 3.49Å; R261-Y362 HydrophobicContact CB-CD2 4.43Å; F262-Y362 AromaticContact CD2-CE2 3.85Å; F262-Y362 HydrophobicContact CD2-CE2 3.85Å; F262-Y362 AromaticContact CD2-CZ 3.91Å; F262-Y362 WeakPolarHBondContact CD2-OH 3.42Å; F262-Y362 HydrophobicContact CE2-CD2 4.32Å; F262-Y362 HydrophobicContact CE2-CE1 4.26Å; F262-Y362 AromaticContact CE2-CE2 3.52Å; F262-Y362 HydrophobicContact CE2-CE2 3.52Å; F262-Y362 AromaticContact CE2-CZ 3.48Å; F262-Y362 VanDerWaalsContact CE2-CZ 3.48Å; F262-Y362 WeakPolarHBondContact CE2-OH 3.24Å; F262-Y362 HydrophobicContact CZ-CE2 4.41Å; V306-Y362 WeakPolarHBondContact O-CA 3.27Å; V306-Y362 WeakPolarHBondContact O-CB 3.46Å; V306-Y362 PolarHBondContact O-N 3.01Å; Y318-Y362 AromaticContact CE1-CD1 3.7Å; Y318-Y362 HydrophobicContact CE1-CD1 3.7Å; Y318-Y362 HydrophobicContact CE1-CE1 4.19Å; Y318-Y362 HydrophobicContact CE1-CG 4.46Å; S360-Y362 PolarHBondContact O-N 2.94Å
363	I	98.6	Very high	93.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.6	171.8	-45.8	171.6	0	0	0	108.2	V53 A125 H126 L129 L257 V305 V306 F365	V53-I363 HydrophobicContact CG2-CD1 4.49Å; A125-I363 HydrophobicContact CB-CD1 4.16Å; H126-I363 HydrophobicContact CB-CD1 3.98Å; H126-I363 HydrophobicContact CB-CG1 4.42Å; L129-I363 HydrophobicContact CD2-CD1 4.18Å; L129-I363 HydrophobicContact CD2-CG2 4.01Å; L257-I363 CarbonylContact O-C 3.53Å; L257-I363 WeakPolarHBondContact O-CA 3.41Å; V305-I363 CarbonylContact C-O 3.45Å; V305-I363 WeakPolarHBondContact CA-O 3.42Å; V306-I363 HydrophobicContact CB-CB 4.01Å; V306-I363 HydrophobicContact CB-CD1 4.38Å; V306-I363 HydrophobicContact CB-CG1 4.29Å; V306-I363 HydrophobicContact CG2-CB 4.36Å; V306-I363 PolarHBondContact N-O 2.76Å; V306-I363 PolarHBondContact O-N 3.09Å; I363-F365 HydrophobicContact CB-CE2 4.14Å; I363-F365 HydrophobicContact CG2-CD2 4.24Å; I363-F365 HydrophobicContact CG2-CE2 3.6Å; I363-F365 HydrophobicContact CG2-CZ 3.91Å
364	L	98.7	Very high	93.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.6	179.2	-44.4	174.4	0	0	0	108.8	I212 A256 L257 L259 F280 L302 V305 Y366	I212-L364 HydrophobicContact CB-CD1 4.44Å; I212-L364 HydrophobicContact CD1-CD1 4.4Å; I212-L364 HydrophobicContact CG1-CD1 4.03Å; A256-L364 CarbonylContact C-O 3.55Å; A256-L364 WeakPolarHBondContact CA-O 3.37Å; L257-L364 HydrophobicContact CB-CB 4.23Å; L257-L364 PolarHBondContact N-O 2.86Å; L257-L364 PolarHBondContact O-N 3.31Å; L259-L364 HydrophobicContact CD2-CD1 4.32Å; F280-L364 HydrophobicContact CB-CD1 3.5Å; F280-L364 HydrophobicContact CB-CD2 4.38Å; F280-L364 HydrophobicContact CD1-CD1 4.1Å; F280-L364 HydrophobicContact CD1-CD2 3.85Å; F280-L364 HydrophobicContact CD2-CD2 4.12Å; F280-L364 HydrophobicContact CE1-CD2 4.08Å; F280-L364 HydrophobicContact CE2-CD2 4.36Å; F280-L364 HydrophobicContact CG-CD1 3.89Å; F280-L364 HydrophobicContact CG-CD2 3.87Å; F280-L364 HydrophobicContact CZ-CD2 4.35Å; L302-L364 HydrophobicContact CD1-CB 4.14Å; V305-L364 HydrophobicContact CB-CD2 4.44Å; V305-L364 HydrophobicContact CG1-CD2 3.81Å; V305-L364 HydrophobicContact CG2-CD2 4.13Å; L364-Y366 HydrophobicContact CB-CD2 4.13Å; L364-Y366 HydrophobicContact CB-CE2 3.81Å; L364-Y366 HydrophobicContact CD1-CE2 4.11Å
365	F	98.7	Very high	94	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	116.5	175.5	-66.7	-97.6	0	0	0	109.2	A56 L57 L129 F176 I254 A256 V303 A304 V306 I363	A56-F365 HydrophobicContact CB-CD2 3.84Å; A56-F365 HydrophobicContact CB-CE2 3.58Å; A56-F365 HydrophobicContact CB-CZ 4.17Å; L57-F365 HydrophobicContact CD2-CE1 4.01Å; L129-F365 HydrophobicContact CD1-CE1 4.28Å; L129-F365 HydrophobicContact CD1-CZ 4.07Å; L129-F365 HydrophobicContact CD2-CE1 4.24Å; L129-F365 HydrophobicContact CD2-CZ 3.78Å; F176-F365 HydrophobicContact CE1-CD1 4.25Å; F176-F365 HydrophobicContact CE1-CE1 4.23Å; I254-F365 HydrophobicContact CG2-CD1 4.24Å; A256-F365 HydrophobicContact CB-CD1 4.28Å; A256-F365 HydrophobicContact CB-CE1 4.15Å; V303-F365 HydrophobicContact CG2-CB 3.92Å; V303-F365 VanDerWaalsContact CG2-O 3.29Å; V303-F365 WeakPolarHBondContact CG2-O 3.35Å; V303-F365 PolarHBondContact N-O 3.02Å; A304-F365 HydrophobicContact CB-CB 4.05Å; A304-F365 HydrophobicContact CB-CD2 4.07Å; A304-F365 HydrophobicContact CB-CG 4.34Å; A304-F365 PolarHBondContact N-O 2.93Å; A304-F365 PolarHBondContact O-N 3.04Å; V306-F365 HydrophobicContact CG2-CE2 4.07Å; I363-F365 HydrophobicContact CB-CE2 4.14Å; I363-F365 HydrophobicContact CG2-CD2 4.24Å; I363-F365 HydrophobicContact CG2-CE2 3.6Å; I363-F365 HydrophobicContact CG2-CZ 3.91Å
366	Y	98.2	Very high	95	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.5	178.9	-84	-79.1	0	0	0	109	I254 L255 L257 P281 L284 Y300 D301 L302 L364	I254-Y366 CarbonylContact C-O 3.42Å; I254-Y366 VanDerWaalsContact CA-O 3.31Å; I254-Y366 WeakPolarHBondContact CA-O 3.34Å; L255-Y366 PolarHBondContact N-O 2.73Å; L255-Y366 PolarHBondContact O-N 3.1Å; L257-Y366 HydrophobicContact CD1-CD2 3.89Å; L257-Y366 HydrophobicContact CD1-CE2 3.94Å; L257-Y366 HydrophobicContact CG-CD2 4.47Å; P281-Y366 WeakPolarHBondContact O-CE1 3.4Å; P281-Y366 PolarHBondContact O-OH 3.49Å; L284-Y366 HydrophobicContact CB-CD1 3.83Å; L284-Y366 HydrophobicContact CB-CE1 3.55Å; L284-Y366 HydrophobicContact CD2-CD1 4.31Å; L284-Y366 HydrophobicContact CD2-CD2 4.14Å; L284-Y366 HydrophobicContact CD2-CE1 4.23Å; L284-Y366 HydrophobicContact CD2-CE2 4.04Å; L284-Y366 HydrophobicContact CD2-CG 4.27Å; Y300-Y366 WeakPolarHBondContact CD1-O 3.5Å; D301-Y366 CarbonylContact O-C 3.46Å; D301-Y366 WeakPolarHBondContact O-CA 3.32Å; L302-Y366 HydrophobicContact CB-CD1 4.12Å; L302-Y366 HydrophobicContact CB-CE1 3.7Å; L302-Y366 HydrophobicContact CD1-CD1 4.37Å; L302-Y366 HydrophobicContact CD1-CD2 4.16Å; L302-Y366 HydrophobicContact CD1-CE1 4Å; L302-Y366 HydrophobicContact CD1-CE2 3.79Å; L302-Y366 HydrophobicContact CD1-CG 4.44Å; L302-Y366 HydrophobicContact CG-CE1 4.43Å; L364-Y366 HydrophobicContact CB-CD2 4.13Å; L364-Y366 HydrophobicContact CB-CE2 3.81Å; L364-Y366 HydrophobicContact CD1-CE2 4.11Å
367	Q	97.5	Very high	95.6	Very high	45 Å²	45	35.5 Å²	35.5	21%	0.21	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.9	176.8	-177.9	176.9	-33.6	0	0	110.8	I254 Y300 D301 V303	I254-Q367 HydrophobicContact CG1-CG 4.37Å; Y300-Q367 CarbonylContact C-O 3.53Å; Y300-Q367 VanDerWaalsContact CA-O 3.24Å; Y300-Q367 WeakPolarHBondContact CA-O 3.39Å; D301-Q367 PolarHBondContact N-O 3.38Å; D301-Q367 PolarHBondContact O-N 3.14Å; V303-Q367 HydrophobicContact CG1-CB 3.65Å; V303-Q367 HydrophobicContact CG2-CB 4.2Å
368	S	95.8	Very high	96	Very high	8 Å²	8	30.5 Å²	30.5	6%	0.056	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	145.2	175.8	66.8	0	0	0	0	111.6	M253 D370	M253-S368 WeakPolarHBondContact O-CB 3.36Å; M253-S368 PolarHBondContact O-N 3.15Å; M253-S368 PolarHBondContact O-OG 3.16Å; S368-D370 VanDerWaalsContact C-N 3.34Å; S368-D370 WeakPolarHBondContact CB-OD1 3.2Å; S368-D370 PolarHBondContact OG-O 3.14Å
369	R	92.9	Very high	96.2	Very high	126 Å²	126	32.8 Å²	32.8	48%	0.475	15%	0.152	S	C	.	.			trans	-75.7	-24.5	174.4	-72.4	-173.1	179.9	167.5	4.3	113.5	E283 M299 D301	E283-R369 IonicContact OE1-NH2 2.78Å; E283-R369 PolarHBondContact OE1-NH2 3.43Å; E283-R369 IonicContact OE2-CZ 3.74Å; E283-R369 IonicContact OE2-NH1 3.23Å; E283-R369 IonicContact OE2-NH2 2.66Å; E283-R369 PolarHBondContact OE2-NH2 2.99Å; M299-R369 HydrophobicContact CB-CG 4.33Å; M299-R369 PolarHBondContact O-N 3.22Å; D301-R369 IonicContact OD1-CZ 3.7Å; D301-R369 IonicContact OD1-NE 3.57Å; D301-R369 PolarHBondContact OD1-NE 2.73Å; D301-R369 IonicContact OD1-NH2 3.59Å; D301-R369 PolarHBondContact OD1-NH2 2.85Å; D301-R369 WeakPolarHBondContact OD2-CG 3.42Å; D301-R369 IonicContact OD2-CZ 3.15Å; D301-R369 IonicContact OD2-NE 3.37Å; D301-R369 PolarHBondContact OD2-NE 2.82Å; D301-R369 IonicContact OD2-NH2 2.76Å
370	D	84.8	Confident	96.2	Very high	128 Å²	128	28.1 Å²	28.1	68%	0.684	13%	0.13	S	C	*	.			trans	-97.3	0	179.5	62.7	-47.8	0	0	0	113.1	R298 S368	R298-D370 WeakPolarHBondContact CG-OD1 3.35Å; R298-D370 IonicContact CZ-OD1 2.74Å; R298-D370 IonicContact CZ-OD2 3.02Å; R298-D370 IonicContact NE-OD1 3.89Å; R298-D370 PolarHBondContact NE-OD1 2.98Å; R298-D370 IonicContact NE-OD2 2.72Å; R298-D370 PolarHBondContact NE-OD2 3.48Å; R298-D370 VanDerWaalsContact NE-OD2 3.14Å; R298-D370 IonicContact NH2-OD1 3.56Å; R298-D370 IonicContact NH2-OD2 2.93Å; R298-D370 PolarHBondContact NH2-OD2 3.42Å; S368-D370 VanDerWaalsContact C-N 3.34Å; S368-D370 WeakPolarHBondContact CB-OD1 3.2Å; S368-D370 PolarHBondContact OG-O 3.14Å

Retrieved 370 of 370 residues in 100.9 ms (Link to these results)

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