A0A087X4W6_POEFO Loading...

Tocopherol (alpha) transfer protein

AlphaFold DB , UniProt , Accession A0A087X4W6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 312 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	S	39.1	Very low	38.7	Very low	181 Å²	181	159.2 Å²	159.2	100%	1.266	87%	0.871	S	S	*	*				0	87.3	0	-56.6	0	0	0	0	110.4
2	S	34.5	Very low	39.5	Very low	113 Å²	113	158.8 Å²	158.8	79%	0.79	87%	0.867	S	S	*	*			trans	-90.3	110.5	177.7	53	0	0	0	0	109.5	V4	S2-V4 PolarHBondContact O-N 2.63Å
3	S	36.3	Very low	40.7	Very low	115 Å²	115	162.2 Å²	162.2	80%	0.804	86%	0.859	S	S	*	*			trans	-72.8	110.8	176.3	58.6	0	0	0	0	110.1	R5	S3-R5 PolarHBondContact O-N 3.43Å
4	V	39.9	Very low	42	Very low	128 Å²	128	152.3 Å²	152.3	78%	0.776	81%	0.809	S	S	*	*			trans	-69.3	107.3	169.2	175.8	0	0	0	0	107.4	S2 R6	S2-V4 PolarHBondContact O-N 2.63Å; V4-R6 PolarHBondContact O-N 3.12Å
5	R	38.7	Very low	43	Very low	240 Å²	240	156 Å²	156	91%	0.906	82%	0.82	S	S	*	*			trans	-62.7	107	166.2	-82	-176.7	178.3	-173.6	-0.9	108.1	S3 R7	S3-R5 PolarHBondContact O-N 3.43Å; R5-R7 PolarHBondContact O-N 3.3Å
6	R	37.5	Very low	44.3	Very low	236 Å²	236	148.4 Å²	148.4	89%	0.891	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-57.8	128.7	166.7	-74.5	-179	174.6	-178	-2.4	108.5	V4	V4-R6 PolarHBondContact O-N 3.12Å
7	R	33.9	Very low	46.2	Very low	233 Å²	233	150.2 Å²	150.2	88%	0.879	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-59.9	142.1	167.2	-70.7	179.1	179.5	-179.8	-0.7	108.6	R5	R5-R7 PolarHBondContact O-N 3.3Å
8	P	36.8	Very low	48.3	Very low	125 Å²	125	144.5 Å²	144.5	81%	0.812	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-64.8	140.9	171.4	28	-30.2	0	0	0	109.1
9	A	38.6	Very low	50.5	Low	90 Å²	90	141.2 Å²	141.2	74%	0.744	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-59.2	143.7	-179.5	0	0	0	0	0	111	E11	A9-E11 PolarHBondContact O-N 3.19Å; A9-E11 VanDerWaalsContact O-N 3.17Å
10	A	42.6	Very low	52.3	Low	100 Å²	100	135.1 Å²	135.1	83%	0.826	72%	0.718	S	S	*	*			trans	-60	115	169.8	0	0	0	0	0	108.9	N12	A10-N12 PolarHBondContact O-N 3.41Å
11	E	47.3	Very low	54.1	Low	190 Å²	190	132.1 Å²	132.1	89%	0.888	71%	0.708	S	S	*	*			trans	-65.6	116.3	173.1	-84.6	176	148.7	0	0	109.8	A9 R13	A9-E11 PolarHBondContact O-N 3.19Å; A9-E11 VanDerWaalsContact O-N 3.17Å; E11-R13 PolarHBondContact O-N 3.38Å
12	N	48.4	Very low	56.7	Low	154 Å²	154	127.8 Å²	127.8	82%	0.824	67%	0.668	S	S	*	*			trans	1.7	81.5	162	-67.1	-20.1	0	0	0	115.8	A10	A10-N12 PolarHBondContact O-N 3.41Å
13	R	54.9	Low	59.6	Low	203 Å²	203	122.5 Å²	122.5	77%	0.766	63%	0.631	S	S	*	*			trans	-72.4	128.4	155.7	-168.3	-179.1	-84.9	-167.8	-5.4	106.4	E11 E15	E11-R13 PolarHBondContact O-N 3.38Å; R13-E15 PolarHBondContact O-N 3.2Å
14	P	59.2	Low	62.3	Low	24 Å²	24	117.2 Å²	117.2	16%	0.156	59%	0.594	C	S	.	*			trans	-56.3	136.5	175.5	20.6	-29.4	0	0	0	109.6	C16 P35 Y36	P14-C16 VanDerWaalsContact C-N 3.29Å; P14-C16 PolarHBondContact O-N 3.36Å; P14-P35 HydrophobicContact CB-CB 3.52Å; P14-P35 HydrophobicContact CB-CG 4.38Å; P14-P35 HydrophobicContact CG-CB 4.06Å; P14-Y36 HydrophobicContact CG-CD1 3.99Å; P14-Y36 HydrophobicContact CG-CD2 4.02Å; P14-Y36 HydrophobicContact CG-CE1 3.66Å; P14-Y36 HydrophobicContact CG-CE2 3.67Å; P14-Y36 HydrophobicContact CG-CG 4.16Å; P14-Y36 VanDerWaalsContact CG-CZ 3.48Å
15	E	56.6	Low	65	Low	208 Å²	208	114.8 Å²	114.8	97%	0.972	57%	0.574	S	S	*	*	S	Bend	trans	-64.7	87.2	-179.4	-71.2	179.4	166	0	0	109.6	R13	R13-E15 PolarHBondContact O-N 3.2Å
16	C	64.5	Low	67.7	Low	34 Å²	34	105.1 Å²	105.1	23%	0.23	54%	0.54	C	S	.	.			trans	-140.5	121.2	174.3	-173.5	0	0	0	0	107.6	P14 M18	P14-C16 VanDerWaalsContact C-N 3.29Å; P14-C16 PolarHBondContact O-N 3.36Å; C16-M18 PolarHBondContact O-N 3.44Å; C16-M18 VanDerWaalsContact O-N 3.1Å; C16-M18 WeakPolarHBondContact SG-CE 3.39Å
17	D	76.4	Confident	70.4	Confident	179 Å²	179	97.2 Å²	97.2	96%	0.957	52%	0.519	S	S	*	.			trans	-70	-1.9	-179.7	-71.1	-26.3	0	0	0	113.2
18	M	84.1	Confident	73.3	Confident	48 Å²	48	88.9 Å²	88.9	24%	0.236	49%	0.492	C	S	.	.			trans	-81.2	135.9	176.9	-70.9	-171.7	-74.2	0	0	112.2	C16 Q22 L23 L26 Q32	C16-M18 PolarHBondContact O-N 3.44Å; C16-M18 VanDerWaalsContact O-N 3.1Å; C16-M18 WeakPolarHBondContact SG-CE 3.39Å; M18-Q22 HydrophobicContact CB-CB 3.93Å; M18-Q22 HydrophobicContact CG-CB 4.08Å; M18-Q22 HydrophobicContact SD-CB 4.19Å; M18-L23 HydrophobicContact CB-CD2 4.13Å; M18-L23 HydrophobicContact CB-CG 4.02Å; M18-L23 HydrophobicContact CE-CD2 3.82Å; M18-L26 HydrophobicContact CE-CD1 3.57Å; M18-L26 HydrophobicContact SD-CD1 3.96Å; M18-Q32 HydrophobicContact CE-CB 3.52Å; M18-Q32 HydrophobicContact CE-CG 3.61Å
19	N	89.4	Confident	75.9	Confident	81 Å²	81	89.6 Å²	89.6	43%	0.433	49%	0.489	S	S	.	.			trans	-79.1	168.8	169.4	68.9	35.2	0	0	0	111.6	S21 Q22 L23	N19-S21 PolarHBondContact O-N 3.21Å; N19-S21 PolarHBondContact OD1-N 2.85Å; N19-S21 PolarHBondContact OD1-OG 2.9Å; N19-Q22 VanDerWaalsContact CG-OE1 3.24Å; N19-Q22 PolarHBondContact ND2-OE1 3.32Å; N19-Q22 PolarHBondContact O-N 3.1Å; N19-Q22 WeakPolarHBondContact OD1-CG 3.42Å; N19-Q22 PolarHBondContact OD1-N 3.38Å; N19-Q22 PolarHBondContact OD1-OE1 3.33Å; N19-L23 PolarHBondContact O-N 2.82Å
20	G	87.6	Confident	78.6	Confident	20 Å²	20	86 Å²	86	21%	0.206	46%	0.458	C	S	.	.	H	α-helix	trans	-55.5	-34.7	-177.9	0	0	0	0	0	115.2	T24 D69	G20-T24 WeakPolarHBondContact O-CB 3.17Å; G20-T24 PolarHBondContact O-N 2.96Å; G20-T24 VanDerWaalsContact O-N 3.09Å; G20-T24 PolarHBondContact O-OG1 3.34Å; G20-D69 WeakPolarHBondContact CA-O 3.3Å
21	S	89.2	Confident	81	Confident	72 Å²	72	87 Å²	87	50%	0.503	45%	0.446	S	S	.	.	H	α-helix	trans	-68.4	-40.8	175.6	44.7	0	0	0	0	112.4	N19 T24	N19-S21 PolarHBondContact O-N 3.21Å; N19-S21 PolarHBondContact OD1-N 2.85Å; N19-S21 PolarHBondContact OD1-OG 2.9Å; S21-T24 WeakPolarHBondContact O-CB 3.39Å; S21-T24 PolarHBondContact O-N 2.77Å
22	Q	94.2	Very high	83.3	Confident	91 Å²	91	82.5 Å²	82.5	43%	0.425	43%	0.425	S	S	.	.	H	α-helix	trans	-66.4	-43.4	177.6	-70.8	167.7	-59.1	0	0	111.2	M18 N19 T24 E25	M18-Q22 HydrophobicContact CB-CB 3.93Å; M18-Q22 HydrophobicContact CG-CB 4.08Å; M18-Q22 HydrophobicContact SD-CB 4.19Å; N19-Q22 VanDerWaalsContact CG-OE1 3.24Å; N19-Q22 PolarHBondContact ND2-OE1 3.32Å; N19-Q22 PolarHBondContact O-N 3.1Å; N19-Q22 WeakPolarHBondContact OD1-CG 3.42Å; N19-Q22 PolarHBondContact OD1-N 3.38Å; N19-Q22 PolarHBondContact OD1-OE1 3.33Å; Q22-T24 VanDerWaalsContact C-N 3.26Å; Q22-T24 PolarHBondContact O-N 3.19Å; Q22-E25 PolarHBondContact O-N 2.92Å
23	L	94.6	Very high	85.6	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.01	39%	0.386	C	S	.	.	H	α-helix	trans	-60.5	-36.5	175.7	-67.9	165.9	0	0	0	112.3	M18 N19 E25 L26 L33 Y36 F70	M18-L23 HydrophobicContact CB-CD2 4.13Å; M18-L23 HydrophobicContact CB-CG 4.02Å; M18-L23 HydrophobicContact CE-CD2 3.82Å; N19-L23 PolarHBondContact O-N 2.82Å; L23-E25 PolarHBondContact O-N 3.49Å; L23-L26 HydrophobicContact CD2-CD1 4.05Å; L23-L26 PolarHBondContact O-N 3.1Å; L23-L33 HydrophobicContact CB-CD2 4.2Å; L23-L33 HydrophobicContact CD2-CD2 3.92Å; L23-Y36 HydrophobicContact CD1-CE1 4.06Å; L23-Y36 HydrophobicContact CD1-CE2 3.74Å; L23-Y36 VanDerWaalsContact CD1-CZ 3.47Å; L23-Y36 WeakPolarHBondContact CD1-OH 3.42Å; L23-Y36 HydrophobicContact CD2-CE2 4.02Å; L23-F70 HydrophobicContact CB-CB 4.23Å; L23-F70 HydrophobicContact CB-CD1 4.2Å; L23-F70 HydrophobicContact CB-CD2 3.51Å; L23-F70 HydrophobicContact CB-CE2 3.88Å; L23-F70 HydrophobicContact CB-CG 3.7Å; L23-F70 HydrophobicContact CB-CZ 4.36Å; L23-F70 HydrophobicContact CD1-CB 3.71Å; L23-F70 HydrophobicContact CD1-CD1 4.37Å; L23-F70 HydrophobicContact CD1-CG 3.97Å; L23-F70 HydrophobicContact CG-CG 4.45Å
24	T	94.4	Very high	87.5	Confident	4 Å²	4	72.6 Å²	72.6	3%	0.025	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-33.2	178.7	-64.8	0	0	0	0	113.1	G20 S21 Q22 L26 R66 R160	G20-T24 WeakPolarHBondContact O-CB 3.17Å; G20-T24 PolarHBondContact O-N 2.96Å; G20-T24 VanDerWaalsContact O-N 3.09Å; G20-T24 PolarHBondContact O-OG1 3.34Å; S21-T24 WeakPolarHBondContact O-CB 3.39Å; S21-T24 PolarHBondContact O-N 2.77Å; Q22-T24 VanDerWaalsContact C-N 3.26Å; Q22-T24 PolarHBondContact O-N 3.19Å; T24-L26 VanDerWaalsContact C-N 3.34Å; T24-R66 HydrophobicContact CG2-CG 4.37Å; T24-R66 PolarHBondContact O-NE 3.06Å; T24-R160 HydrophobicContact CG2-CB 4.03Å; T24-R160 HydrophobicContact CG2-CG 3.77Å; T24-R160 WeakPolarHBondContact O-CG 3.29Å; T24-R160 PolarHBondContact O-NE 3.48Å
25	E	95.4	Very high	89.3	Confident	77 Å²	77	74 Å²	74	36%	0.36	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-10.2	-179	-57.6	-60.4	147	0	0	113.6	Q22 L23 R160 R161	Q22-E25 PolarHBondContact O-N 2.92Å; L23-E25 PolarHBondContact O-N 3.49Å; E25-R160 PolarHBondContact O-NH2 3.21Å; E25-R161 IonicContact OE1-CZ 3.64Å; E25-R161 VanDerWaalsContact OE1-CZ 3.32Å; E25-R161 IonicContact OE1-NH1 3.82Å; E25-R161 PolarHBondContact OE1-NH1 3.01Å; E25-R161 IonicContact OE1-NH2 2.81Å; E25-R161 PolarHBondContact OE1-NH2 3.23Å; E25-R161 IonicContact OE2-CZ 3.38Å; E25-R161 IonicContact OE2-NH1 3.23Å; E25-R161 IonicContact OE2-NH2 3.32Å; E25-R161 PolarHBondContact OE2-NH2 3.07Å
26	L	95.8	Very high	91.2	Very high	36 Å²	36	64.6 Å²	64.6	19%	0.188	34%	0.341	C	S	.	.	S	Bend	trans	-73.4	150.1	-179.9	-62	173.5	0	0	0	112	M18 L23 T24 Q32 L33 R66 R160	M18-L26 HydrophobicContact CE-CD1 3.57Å; M18-L26 HydrophobicContact SD-CD1 3.96Å; L23-L26 HydrophobicContact CD2-CD1 4.05Å; L23-L26 PolarHBondContact O-N 3.1Å; T24-L26 VanDerWaalsContact C-N 3.34Å; L26-Q32 HydrophobicContact CD1-CB 3.94Å; L26-L33 HydrophobicContact CB-CD1 4.29Å; L26-L33 HydrophobicContact CB-CD2 4.12Å; L26-L33 HydrophobicContact CB-CG 4.28Å; L26-L33 HydrophobicContact CD1-CD2 3.82Å; L26-L33 HydrophobicContact CD1-CG 4.45Å; L26-R66 PolarHBondContact O-NH2 2.6Å; L26-R160 PolarHBondContact O-NH2 3.17Å
27	P	95.1	Very high	92.7	Very high	71 Å²	71	63.1 Å²	63.1	46%	0.461	33%	0.331	S	S	.	.			trans	-60.8	154	169.4	-21.9	33.8	0	0	0	112.5	N29 S30 L33	P27-N29 WeakPolarHBondContact CB-OD1 3.48Å; P27-N29 PolarHBondContact O-N 3.18Å; P27-S30 WeakPolarHBondContact O-CB 3.32Å; P27-S30 PolarHBondContact O-N 2.96Å; P27-L33 VanDerWaalsContact O-CD1 3.28Å; P27-L33 WeakPolarHBondContact O-CD1 3.44Å
28	D	93.2	Very high	93.6	Very high	57 Å²	57	57.3 Å²	57.3	31%	0.305	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.6	-175.6	-67.5	32.6	0	0	0	113.1	S30 I62 R66	D28-S30 VanDerWaalsContact C-N 3.32Å; D28-S30 PolarHBondContact O-N 3.07Å; D28-I62 HydrophobicContact CB-CD1 3.87Å; D28-I62 WeakPolarHBondContact O-CD1 3.43Å; D28-R66 IonicContact OD1-CZ 2.75Å; D28-R66 IonicContact OD1-NH1 3.15Å; D28-R66 PolarHBondContact OD1-NH1 3.37Å; D28-R66 IonicContact OD1-NH2 3.77Å; D28-R66 PolarHBondContact OD1-NH2 3.44Å; D28-R66 IonicContact OD2-NH1 2.75Å
29	N	92.4	Very high	94.2	Very high	140 Å²	140	56.8 Å²	56.8	75%	0.749	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	10.7	179.3	68.5	-25.4	0	0	0	114.1	P27 E31	P27-N29 WeakPolarHBondContact CB-OD1 3.48Å; P27-N29 PolarHBondContact O-N 3.18Å; N29-E31 PolarHBondContact O-N 3.03Å
30	S	94.6	Very high	94.6	Very high	15 Å²	15	53 Å²	53	11%	0.105	28%	0.283	C	S	.	.			trans	-67.3	127	178	161.1	0	0	0	0	110.8	P27 D28 Q32 L33	P27-S30 WeakPolarHBondContact O-CB 3.32Å; P27-S30 PolarHBondContact O-N 2.96Å; D28-S30 VanDerWaalsContact C-N 3.32Å; D28-S30 PolarHBondContact O-N 3.07Å; S30-Q32 PolarHBondContact O-N 2.81Å; S30-Q32 VanDerWaalsContact O-N 3.12Å; S30-Q32 PolarHBondContact OG-N 3.23Å; S30-Q32 PolarHBondContact OG-OE1 2.75Å; S30-L33 WeakPolarHBondContact O-CB 3.47Å; S30-L33 PolarHBondContact O-N 3.29Å
31	E	94.3	Very high	94.9	Very high	122 Å²	122	54.1 Å²	54.1	57%	0.57	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.7	177.7	-72	-62.2	150.8	0	0	112.4	N29 L33 R34 P35	N29-E31 PolarHBondContact O-N 3.03Å; E31-L33 PolarHBondContact O-N 2.98Å; E31-R34 VanDerWaalsContact O-CB 3.3Å; E31-R34 WeakPolarHBondContact O-CB 3.39Å; E31-R34 PolarHBondContact O-N 3.22Å; E31-R34 IonicContact OE1-NH1 2.72Å; E31-R34 WeakPolarHBondContact OE2-CD 2.99Å; E31-R34 IonicContact OE2-NH1 3.75Å; E31-R34 PolarHBondContact OE2-NH1 2.75Å; E31-P35 WeakPolarHBondContact O-CD 3.42Å
32	Q	95.1	Very high	95.1	Very high	94 Å²	94	57.8 Å²	57.8	44%	0.439	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.5	176.6	-61.2	87.1	-14	0	0	113.2	M18 L26 S30	M18-Q32 HydrophobicContact CE-CB 3.52Å; M18-Q32 HydrophobicContact CE-CG 3.61Å; L26-Q32 HydrophobicContact CD1-CB 3.94Å; S30-Q32 PolarHBondContact O-N 2.81Å; S30-Q32 VanDerWaalsContact O-N 3.12Å; S30-Q32 PolarHBondContact OG-N 3.23Å; S30-Q32 PolarHBondContact OG-OE1 2.75Å
33	L	95.6	Very high	95.1	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-24.7	175.3	-55.9	-169.1	0	0	0	112.4	L23 L26 P27 S30 E31 Y36 V37 F70	L23-L33 HydrophobicContact CB-CD2 4.2Å; L23-L33 HydrophobicContact CD2-CD2 3.92Å; L26-L33 HydrophobicContact CB-CD1 4.29Å; L26-L33 HydrophobicContact CB-CD2 4.12Å; L26-L33 HydrophobicContact CB-CG 4.28Å; L26-L33 HydrophobicContact CD1-CD2 3.82Å; L26-L33 HydrophobicContact CD1-CG 4.45Å; P27-L33 VanDerWaalsContact O-CD1 3.28Å; P27-L33 WeakPolarHBondContact O-CD1 3.44Å; S30-L33 WeakPolarHBondContact O-CB 3.47Å; S30-L33 PolarHBondContact O-N 3.29Å; E31-L33 PolarHBondContact O-N 2.98Å; L33-Y36 WeakPolarHBondContact O-CB 3.28Å; L33-Y36 PolarHBondContact O-N 3.1Å; L33-V37 PolarHBondContact O-N 3.03Å; L33-V37 VanDerWaalsContact O-N 3.1Å; L33-F70 HydrophobicContact CB-CE1 4.4Å; L33-F70 HydrophobicContact CD1-CE1 4.42Å; L33-F70 HydrophobicContact CD1-CZ 4.1Å; L33-F70 HydrophobicContact CD2-CD1 4.37Å; L33-F70 HydrophobicContact CD2-CE1 3.56Å; L33-F70 HydrophobicContact CD2-CE2 4.48Å; L33-F70 HydrophobicContact CD2-CZ 3.61Å; L33-F70 HydrophobicContact CG-CE1 4.33Å; L33-F70 HydrophobicContact CG-CZ 4.39Å
34	R	95.4	Very high	95	Very high	148 Å²	148	55 Å²	55	56%	0.558	28%	0.277	S	S	*	.	H	α-helix	trans	-54.5	-44	-173.1	-171.5	178.1	-174.5	156.4	3.6	113.7	E31 Y36 V37 V38	E31-R34 VanDerWaalsContact O-CB 3.3Å; E31-R34 WeakPolarHBondContact O-CB 3.39Å; E31-R34 PolarHBondContact O-N 3.22Å; E31-R34 IonicContact OE1-NH1 2.72Å; E31-R34 WeakPolarHBondContact OE2-CD 2.99Å; E31-R34 IonicContact OE2-NH1 3.75Å; E31-R34 PolarHBondContact OE2-NH1 2.75Å; R34-Y36 VanDerWaalsContact C-N 3.29Å; R34-Y36 PolarHBondContact O-N 3.33Å; R34-V37 PolarHBondContact O-N 3.09Å; R34-V38 HydrophobicContact CG-CG2 4.33Å; R34-V38 WeakPolarHBondContact O-CB 3.44Å; R34-V38 VanDerWaalsContact O-CG2 3.32Å; R34-V38 WeakPolarHBondContact O-CG2 3.34Å; R34-V38 PolarHBondContact O-N 2.78Å
35	P	96.2	Very high	94.8	Very high	55 Å²	55	57.7 Å²	57.7	36%	0.357	29%	0.291	S	S	.	.	H	α-helix	trans	-60.4	-37.8	177.7	-24.4	35.4	0	0	0	113	P14 E31 S39	P14-P35 HydrophobicContact CB-CB 3.52Å; P14-P35 HydrophobicContact CB-CG 4.38Å; P14-P35 HydrophobicContact CG-CB 4.06Å; E31-P35 WeakPolarHBondContact O-CD 3.42Å; P35-S39 VanDerWaalsContact O-CB 3.28Å; P35-S39 WeakPolarHBondContact O-CB 3.33Å; P35-S39 PolarHBondContact O-N 2.93Å; P35-S39 PolarHBondContact O-OG 3.43Å
36	Y	97.1	Very high	94.4	Very high	9 Å²	9	60.8 Å²	60.8	4%	0.035	31%	0.305	C	S	.	.	H	α-helix	trans	-70.2	-43.5	179.4	-64.4	-93.9	0	0	0	111.6	P14 L23 L33 R34 S39 L40 F70 L72	P14-Y36 HydrophobicContact CG-CD1 3.99Å; P14-Y36 HydrophobicContact CG-CD2 4.02Å; P14-Y36 HydrophobicContact CG-CE1 3.66Å; P14-Y36 HydrophobicContact CG-CE2 3.67Å; P14-Y36 HydrophobicContact CG-CG 4.16Å; P14-Y36 VanDerWaalsContact CG-CZ 3.48Å; L23-Y36 HydrophobicContact CD1-CE1 4.06Å; L23-Y36 HydrophobicContact CD1-CE2 3.74Å; L23-Y36 VanDerWaalsContact CD1-CZ 3.47Å; L23-Y36 WeakPolarHBondContact CD1-OH 3.42Å; L23-Y36 HydrophobicContact CD2-CE2 4.02Å; L33-Y36 WeakPolarHBondContact O-CB 3.28Å; L33-Y36 PolarHBondContact O-N 3.1Å; R34-Y36 VanDerWaalsContact C-N 3.29Å; R34-Y36 PolarHBondContact O-N 3.33Å; Y36-S39 PolarHBondContact O-N 2.88Å; Y36-L40 WeakPolarHBondContact O-CB 3.49Å; Y36-L40 PolarHBondContact O-N 3.32Å; Y36-F70 HydrophobicContact CD1-CB 4.14Å; Y36-F70 HydrophobicContact CD1-CD1 4.16Å; Y36-F70 HydrophobicContact CD2-CD1 4.3Å; Y36-F70 HydrophobicContact CE1-CB 4.24Å; Y36-F70 AromaticContact CG-CD1 3.88Å; Y36-F70 HydrophobicContact CG-CD1 3.88Å; Y36-L72 HydrophobicContact CD1-CD2 4.17Å; Y36-L72 HydrophobicContact CD1-CG 4.19Å; Y36-L72 WeakPolarHBondContact O-CD2 3.38Å
37	V	96.7	Very high	93.9	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-47	177.4	177.5	0	0	0	0	110.7	L33 R34 S39 L40 R41 D58 L61 I62 L65	L33-V37 PolarHBondContact O-N 3.03Å; L33-V37 VanDerWaalsContact O-N 3.1Å; R34-V37 PolarHBondContact O-N 3.09Å; V37-S39 VanDerWaalsContact C-N 3.33Å; V37-S39 PolarHBondContact O-N 2.68Å; V37-L40 PolarHBondContact O-N 2.89Å; V37-R41 WeakPolarHBondContact O-CB 3.46Å; V37-R41 PolarHBondContact O-N 2.68Å; V37-D58 HydrophobicContact CG1-CB 4.15Å; V37-D58 VanDerWaalsContact CG1-OD1 3.27Å; V37-D58 WeakPolarHBondContact CG1-OD1 3.28Å; V37-L61 HydrophobicContact CG1-CB 4.35Å; V37-L61 HydrophobicContact CG1-CD1 4.08Å; V37-I62 HydrophobicContact CG2-CD1 4.28Å; V37-I62 HydrophobicContact CG2-CG1 3.75Å; V37-L65 HydrophobicContact CB-CD1 4.49Å; V37-L65 HydrophobicContact CG2-CD1 3.74Å
38	V	96.1	Very high	92.7	Very high	57 Å²	57	64 Å²	64	35%	0.345	32%	0.321	S	S	.	.	H	α-helix	trans	-61.1	-42.2	176.5	170.2	0	0	0	0	111.4	R34 R41 R42	R34-V38 HydrophobicContact CG-CG2 4.33Å; R34-V38 WeakPolarHBondContact O-CB 3.44Å; R34-V38 VanDerWaalsContact O-CG2 3.32Å; R34-V38 WeakPolarHBondContact O-CG2 3.34Å; R34-V38 PolarHBondContact O-N 2.78Å; V38-R41 PolarHBondContact O-N 2.98Å; V38-R42 WeakPolarHBondContact O-CB 3.27Å; V38-R42 PolarHBondContact O-N 3.43Å
39	S	96.3	Very high	91.5	Very high	38 Å²	38	66.2 Å²	66.2	27%	0.266	33%	0.333	S	S	.	.	H	α-helix	trans	-67.9	-44.7	-179	-58.7	0	0	0	0	111.6	P35 Y36 V37 R42 A43	P35-S39 VanDerWaalsContact O-CB 3.28Å; P35-S39 WeakPolarHBondContact O-CB 3.33Å; P35-S39 PolarHBondContact O-N 2.93Å; P35-S39 PolarHBondContact O-OG 3.43Å; Y36-S39 PolarHBondContact O-N 2.88Å; V37-S39 VanDerWaalsContact C-N 3.33Å; V37-S39 PolarHBondContact O-N 2.68Å; S39-R42 PolarHBondContact O-N 2.7Å; S39-A43 WeakPolarHBondContact O-CB 3.33Å; S39-A43 PolarHBondContact O-N 2.82Å
40	L	96.3	Very high	90.4	Very high	2 Å²	2	60 Å²	60	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-42.7	176.5	-178.7	59.9	0	0	0	111.3	Y36 V37 A43 A44 L61 F64 L65 L72 L76	Y36-L40 WeakPolarHBondContact O-CB 3.49Å; Y36-L40 PolarHBondContact O-N 3.32Å; V37-L40 PolarHBondContact O-N 2.89Å; L40-A43 PolarHBondContact O-N 2.86Å; L40-A44 VanDerWaalsContact O-CB 3.31Å; L40-A44 WeakPolarHBondContact O-CB 3.47Å; L40-A44 PolarHBondContact O-N 3.16Å; L40-L61 HydrophobicContact CD2-CB 4.21Å; L40-L61 HydrophobicContact CD2-CD2 4.13Å; L40-L61 HydrophobicContact CG-CD2 4.21Å; L40-F64 HydrophobicContact CD2-CB 4.25Å; L40-L65 HydrophobicContact CB-CD2 4.32Å; L40-L65 HydrophobicContact CD2-CD1 4.35Å; L40-L65 HydrophobicContact CD2-CD2 3.83Å; L40-L65 HydrophobicContact CD2-CG 3.7Å; L40-L72 HydrophobicContact CB-CD2 4.2Å; L40-L76 HydrophobicContact CD1-CB 3.83Å; L40-L76 HydrophobicContact CD1-CD1 4.23Å
41	R	95.4	Very high	88.9	Confident	43 Å²	43	64.1 Å²	64.1	16%	0.162	33%	0.329	C	S	.	.	H	α-helix	trans	-57	-51.9	175.3	-176.3	178.9	-67.7	107	13.3	111.2	V37 V38 A43 A44 L45 F56 D58 L61	V37-R41 WeakPolarHBondContact O-CB 3.46Å; V37-R41 PolarHBondContact O-N 2.68Å; V38-R41 PolarHBondContact O-N 2.98Å; R41-A43 VanDerWaalsContact C-N 3.33Å; R41-A43 PolarHBondContact O-N 2.89Å; R41-A44 PolarHBondContact O-N 3.24Å; R41-L45 HydrophobicContact CG-CD1 3.99Å; R41-L45 HydrophobicContact CG-CG 4.5Å; R41-L45 WeakPolarHBondContact O-CG 3.27Å; R41-L45 PolarHBondContact O-N 2.89Å; R41-F56 VanDerWaalsContact CZ-O 3.3Å; R41-F56 PolarHBondContact NE-O 2.98Å; R41-F56 PolarHBondContact NH2-O 3.49Å; R41-D58 IonicContact CZ-OD1 3.49Å; R41-D58 IonicContact NH1-OD1 3.87Å; R41-D58 PolarHBondContact NH1-OD1 3.43Å; R41-D58 IonicContact NH2-OD1 3.72Å; R41-D58 PolarHBondContact NH2-OD1 2.61Å; R41-L61 HydrophobicContact CB-CD1 3.57Å; R41-L61 HydrophobicContact CG-CD1 4.26Å
42	R	93.8	Very high	87.7	Confident	149 Å²	149	63.1 Å²	63.1	56%	0.562	34%	0.342	S	S	*	.	H	α-helix	trans	-57.8	-47.9	179.8	-177.4	-174.5	-64.2	152.2	0.1	111	V38 S39 A44 L45 Q46	V38-R42 WeakPolarHBondContact O-CB 3.27Å; V38-R42 PolarHBondContact O-N 3.43Å; S39-R42 PolarHBondContact O-N 2.7Å; R42-A44 VanDerWaalsContact C-N 3.34Å; R42-A44 PolarHBondContact O-N 3.47Å; R42-L45 PolarHBondContact O-N 2.61Å; R42-Q46 WeakPolarHBondContact O-CG 3.31Å; R42-Q46 PolarHBondContact O-N 3.42Å; R42-Q46 VanDerWaalsContact O-N 3.16Å
43	A	93.6	Very high	86.9	Confident	35 Å²	35	60 Å²	60	29%	0.289	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-37.6	-179.5	0	0	0	0	0	112.3	S39 L40 R41 Q46 A47 L76	S39-A43 WeakPolarHBondContact O-CB 3.33Å; S39-A43 PolarHBondContact O-N 2.82Å; L40-A43 PolarHBondContact O-N 2.86Å; R41-A43 VanDerWaalsContact C-N 3.33Å; R41-A43 PolarHBondContact O-N 2.89Å; A43-Q46 PolarHBondContact O-N 3.47Å; A43-A47 PolarHBondContact O-N 3.17Å; A43-L76 HydrophobicContact CB-CD1 4.24Å; A43-L76 HydrophobicContact CB-CD2 3.88Å
44	A	91.9	Very high	86.1	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-65.1	-42.9	176.4	0	0	0	0	0	112.3	L40 R41 R42 Q46 A47 L50 F56 L76 L79	L40-A44 VanDerWaalsContact O-CB 3.31Å; L40-A44 WeakPolarHBondContact O-CB 3.47Å; L40-A44 PolarHBondContact O-N 3.16Å; R41-A44 PolarHBondContact O-N 3.24Å; R42-A44 VanDerWaalsContact C-N 3.34Å; R42-A44 PolarHBondContact O-N 3.47Å; A44-Q46 VanDerWaalsContact C-N 3.26Å; A44-Q46 PolarHBondContact O-N 3.37Å; A44-A47 WeakPolarHBondContact O-CB 3.42Å; A44-A47 PolarHBondContact O-N 3.15Å; A44-L50 WeakPolarHBondContact O-CD1 3.39Å; A44-F56 HydrophobicContact CB-CD2 4.16Å; A44-F56 HydrophobicContact CB-CE2 3.85Å; A44-L76 HydrophobicContact CB-CD1 4.14Å; A44-L79 HydrophobicContact CB-CD2 3.67Å
45	L	89.8	Confident	85.8	Confident	60 Å²	60	60.5 Å²	60.5	31%	0.314	36%	0.363	S	S	.	.	H	α-helix	trans	-70.7	-21.1	179	-66.8	174.8	0	0	0	113.5	R41 R42 V53 F56	R41-L45 HydrophobicContact CG-CD1 3.99Å; R41-L45 HydrophobicContact CG-CG 4.5Å; R41-L45 WeakPolarHBondContact O-CG 3.27Å; R41-L45 PolarHBondContact O-N 2.89Å; R42-L45 PolarHBondContact O-N 2.61Å; L45-V53 VanDerWaalsContact CD2-O 3.23Å; L45-V53 WeakPolarHBondContact CD2-O 3.33Å; L45-F56 HydrophobicContact CD2-CD2 4.25Å; L45-F56 HydrophobicContact CD2-CE2 4.17Å
46	Q	88.5	Confident	85.6	Confident	142 Å²	142	58 Å²	58	66%	0.664	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.3	175.3	-72.1	176.9	-8.4	0	0	113.4	R42 A43 A44 D48	R42-Q46 WeakPolarHBondContact O-CG 3.31Å; R42-Q46 PolarHBondContact O-N 3.42Å; R42-Q46 VanDerWaalsContact O-N 3.16Å; A43-Q46 PolarHBondContact O-N 3.47Å; A44-Q46 VanDerWaalsContact C-N 3.26Å; A44-Q46 PolarHBondContact O-N 3.37Å; Q46-D48 PolarHBondContact O-N 3.07Å
47	A	85.3	Confident	85.5	Confident	22 Å²	22	59 Å²	59	18%	0.182	36%	0.355	C	S	.	.	S	Bend	trans	-74.4	125.7	174.4	0	0	0	0	0	109.6	A43 A44 D49 L50 L80	A43-A47 PolarHBondContact O-N 3.17Å; A44-A47 WeakPolarHBondContact O-CB 3.42Å; A44-A47 PolarHBondContact O-N 3.15Å; A47-D49 PolarHBondContact O-N 2.66Å; A47-L50 PolarHBondContact O-N 2.93Å; A47-L80 HydrophobicContact CB-CD1 4.41Å; A47-L80 HydrophobicContact CB-CD2 3.86Å
48	D	69.6	Low	85.4	Confident	151 Å²	151	62.9 Å²	62.9	81%	0.807	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-48	-36.1	-172.4	-66.5	-38.2	0	0	0	113.8	Q46 L50 S51	Q46-D48 PolarHBondContact O-N 3.07Å; D48-L50 PolarHBondContact O-N 3.04Å; D48-S51 PolarHBondContact O-OG 3.03Å
49	D	66.9	Low	85.3	Confident	105 Å²	105	61.6 Å²	61.6	56%	0.561	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-68.6	-9.9	-178.7	-90	17.1	0	0	0	115.8	A47 R87	A47-D49 PolarHBondContact O-N 2.66Å; D49-R87 PolarHBondContact O-NH1 2.81Å; D49-R87 IonicContact OD2-CZ 2.81Å; D49-R87 IonicContact OD2-NH2 3.74Å; D49-R87 PolarHBondContact OD2-NH2 3.2Å
50	L	70.5	Confident	85.4	Confident	8 Å²	8	59.9 Å²	59.9	4%	0.042	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-127.1	11.2	-169.8	-59.8	177.5	0	0	0	114.2	A44 A47 D48 A52 V53 F56 L80 L83	A44-L50 WeakPolarHBondContact O-CD1 3.39Å; A47-L50 PolarHBondContact O-N 2.93Å; D48-L50 PolarHBondContact O-N 3.04Å; L50-A52 PolarHBondContact O-N 3.19Å; L50-A52 VanDerWaalsContact O-N 3.08Å; L50-V53 HydrophobicContact CB-CG2 4.37Å; L50-V53 HydrophobicContact CD2-CG2 4.16Å; L50-V53 WeakPolarHBondContact O-CB 3.3Å; L50-V53 PolarHBondContact O-N 2.99Å; L50-F56 HydrophobicContact CD1-CE2 4.35Å; L50-F56 HydrophobicContact CD1-CZ 4.05Å; L50-L80 HydrophobicContact CD1-CD2 3.65Å; L50-L80 HydrophobicContact CG-CD2 4.41Å; L50-L83 HydrophobicContact CD1-CD1 3.64Å; L50-L83 HydrophobicContact CD2-CD1 3.53Å; L50-L83 HydrophobicContact CG-CD1 4.23Å
51	S	63.8	Low	85.4	Confident	103 Å²	103	59.8 Å²	59.8	72%	0.72	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.8	179.7	52.8	0	0	0	0	114.5	D48	D48-S51 PolarHBondContact O-OG 3.03Å
52	A	69	Low	85.5	Confident	101 Å²	101	57.8 Å²	57.8	84%	0.835	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-9.6	175.8	0	0	0	0	0	114.2	L50	L50-A52 PolarHBondContact O-N 3.19Å; L50-A52 VanDerWaalsContact O-N 3.08Å
53	V	78.4	Confident	85.7	Confident	27 Å²	27	51.4 Å²	51.4	16%	0.164	33%	0.33	C	S	.	.			trans	-86.1	118.7	178.2	-178.9	0	0	0	0	108.5	L45 L50 F56 T288	L45-V53 VanDerWaalsContact CD2-O 3.23Å; L45-V53 WeakPolarHBondContact CD2-O 3.33Å; L50-V53 HydrophobicContact CB-CG2 4.37Å; L50-V53 HydrophobicContact CD2-CG2 4.16Å; L50-V53 WeakPolarHBondContact O-CB 3.3Å; L50-V53 PolarHBondContact O-N 2.99Å; V53-F56 HydrophobicContact CB-CZ 4.48Å; V53-F56 HydrophobicContact CG1-CE1 4.22Å; V53-F56 HydrophobicContact CG1-CE2 3.99Å; V53-F56 HydrophobicContact CG1-CZ 3.84Å; V53-T288 HydrophobicContact CB-CG2 4.48Å; V53-T288 HydrophobicContact CG1-CG2 3.9Å; V53-T288 HydrophobicContact CG2-CG2 3.68Å
54	G	78.1	Confident	86	Confident	73 Å²	73	49.8 Å²	49.8	75%	0.753	32%	0.316	S	S	*	.			trans	-65.3	-44.3	-176.9	0	0	0	0	0	113.9
55	T	88	Confident	86.3	Confident	88 Å²	88	49.8 Å²	49.8	54%	0.54	32%	0.316	S	S	.	.			trans	-164.8	173	177.8	-167.9	0	0	0	0	111.7
56	F	92.6	Very high	86.7	Confident	1 Å²	1	47 Å²	47	0%	0.004	30%	0.301	C	S	.	.			trans	-124.6	137.1	171.3	-66.6	-83.3	0	0	0	110.5	R41 A44 L45 L50 V53 F60 L61 L83 T288 D290	R41-F56 VanDerWaalsContact CZ-O 3.3Å; R41-F56 PolarHBondContact NE-O 2.98Å; R41-F56 PolarHBondContact NH2-O 3.49Å; A44-F56 HydrophobicContact CB-CD2 4.16Å; A44-F56 HydrophobicContact CB-CE2 3.85Å; L45-F56 HydrophobicContact CD2-CD2 4.25Å; L45-F56 HydrophobicContact CD2-CE2 4.17Å; L50-F56 HydrophobicContact CD1-CE2 4.35Å; L50-F56 HydrophobicContact CD1-CZ 4.05Å; V53-F56 HydrophobicContact CB-CZ 4.48Å; V53-F56 HydrophobicContact CG1-CE1 4.22Å; V53-F56 HydrophobicContact CG1-CE2 3.99Å; V53-F56 HydrophobicContact CG1-CZ 3.84Å; F56-F60 HydrophobicContact CB-CD1 4.38Å; F56-F60 AromaticContact CD1-CD1 3.67Å; F56-F60 HydrophobicContact CD1-CD1 3.67Å; F56-F60 AromaticContact CD1-CE1 3.5Å; F56-F60 HydrophobicContact CD1-CE1 3.5Å; F56-F60 HydrophobicContact CE1-CD1 4.44Å; F56-F60 AromaticContact CE1-CE1 3.82Å; F56-F60 HydrophobicContact CE1-CE1 3.82Å; F56-F60 HydrophobicContact CG-CD1 4.44Å; F56-L61 HydrophobicContact CB-CD1 3.94Å; F56-L61 HydrophobicContact CB-CD2 3.74Å; F56-L61 HydrophobicContact CB-CG 3.78Å; F56-L61 HydrophobicContact CG-CD2 4.08Å; F56-L83 HydrophobicContact CE1-CD1 4.42Å; F56-L83 HydrophobicContact CZ-CD1 4.19Å; F56-T288 HydrophobicContact CE1-CG2 3.69Å; F56-T288 HydrophobicContact CZ-CG2 4.09Å; F56-D290 WeakPolarHBondContact CA-OD2 3.39Å; F56-D290 HydrophobicContact CD1-CB 4.48Å
57	S	94.2	Very high	87.1	Confident	31 Å²	31	40.5 Å²	40.5	22%	0.217	27%	0.272	C	S	.	.			trans	-69.1	150.5	177.5	75	0	0	0	0	112	G59 F60 L61 D290	S57-G59 PolarHBondContact O-N 2.84Å; S57-F60 PolarHBondContact O-N 2.99Å; S57-F60 WeakPolarHBondContact OG-CB 3.22Å; S57-F60 PolarHBondContact OG-N 2.84Å; S57-L61 WeakPolarHBondContact O-CG 3.3Å; S57-L61 PolarHBondContact O-N 3.37Å; S57-L61 VanDerWaalsContact O-N 3.13Å; S57-D290 WeakPolarHBondContact CB-OD1 3.39Å; S57-D290 PolarHBondContact N-OD2 3.06Å; S57-D290 PolarHBondContact OG-OD1 3.25Å; S57-D290 PolarHBondContact OG-OD2 3.16Å
58	D	95.4	Very high	87.7	Confident	85 Å²	85	41.8 Å²	41.8	46%	0.455	27%	0.272	S	S	.	.	H	α-helix	trans	-57.5	-49.9	178.6	-75.4	2.4	0	0	0	111.1	V37 R41 F60 L61 I62	V37-D58 HydrophobicContact CG1-CB 4.15Å; V37-D58 VanDerWaalsContact CG1-OD1 3.27Å; V37-D58 WeakPolarHBondContact CG1-OD1 3.28Å; R41-D58 IonicContact CZ-OD1 3.49Å; R41-D58 IonicContact NH1-OD1 3.87Å; R41-D58 PolarHBondContact NH1-OD1 3.43Å; R41-D58 IonicContact NH2-OD1 3.72Å; R41-D58 PolarHBondContact NH2-OD1 2.61Å; D58-F60 PolarHBondContact O-N 2.81Å; D58-L61 PolarHBondContact O-N 2.87Å; D58-L61 VanDerWaalsContact O-N 3.16Å; D58-I62 WeakPolarHBondContact O-CB 3.31Å; D58-I62 VanDerWaalsContact O-CG1 3.27Å; D58-I62 WeakPolarHBondContact O-CG1 3.28Å; D58-I62 PolarHBondContact O-N 3.46Å
59	G	94.9	Very high	88.9	Confident	29 Å²	29	38.4 Å²	38.4	30%	0.299	25%	0.254	S	S	.	.	H	α-helix	trans	-64.6	-24	-178.7	0	0	0	0	0	113.9	S57 R63	S57-G59 PolarHBondContact O-N 2.84Å; G59-R63 WeakPolarHBondContact O-CG 3.41Å; G59-R63 PolarHBondContact O-NE 3.39Å
60	F	96.6	Very high	90.3	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	23%	0.229	C	C	.	.	H	α-helix	trans	-74.5	-50.3	170.9	178.6	-103	0	0	0	111.1	F56 S57 D58 I62 R63 F64 L79 Y82 D290	F56-F60 HydrophobicContact CB-CD1 4.38Å; F56-F60 AromaticContact CD1-CD1 3.67Å; F56-F60 HydrophobicContact CD1-CD1 3.67Å; F56-F60 AromaticContact CD1-CE1 3.5Å; F56-F60 HydrophobicContact CD1-CE1 3.5Å; F56-F60 HydrophobicContact CE1-CD1 4.44Å; F56-F60 AromaticContact CE1-CE1 3.82Å; F56-F60 HydrophobicContact CE1-CE1 3.82Å; F56-F60 HydrophobicContact CG-CD1 4.44Å; S57-F60 PolarHBondContact O-N 2.99Å; S57-F60 WeakPolarHBondContact OG-CB 3.22Å; S57-F60 PolarHBondContact OG-N 2.84Å; D58-F60 PolarHBondContact O-N 2.81Å; F60-I62 VanDerWaalsContact C-N 3.33Å; F60-I62 PolarHBondContact O-N 3.48Å; F60-R63 WeakPolarHBondContact O-CB 3.42Å; F60-R63 PolarHBondContact O-N 2.84Å; F60-F64 HydrophobicContact CD1-CE2 4.05Å; F60-F64 HydrophobicContact CD2-CE2 4.22Å; F60-F64 HydrophobicContact CE1-CD2 4.42Å; F60-F64 AromaticContact CE1-CE2 3.63Å; F60-F64 HydrophobicContact CE1-CE2 3.63Å; F60-F64 HydrophobicContact CE1-CZ 4.28Å; F60-F64 AromaticContact CE2-CE2 3.82Å; F60-F64 HydrophobicContact CE2-CE2 3.82Å; F60-F64 HydrophobicContact CE2-CZ 4.25Å; F60-F64 HydrophobicContact CG-CE2 4.32Å; F60-F64 AromaticContact CZ-CE2 3.51Å; F60-F64 HydrophobicContact CZ-CE2 3.51Å; F60-F64 AromaticContact CZ-CZ 3.84Å; F60-F64 HydrophobicContact CZ-CZ 3.84Å; F60-F64 VanDerWaalsContact O-CD2 3.25Å; F60-F64 WeakPolarHBondContact O-CD2 3.42Å; F60-L79 HydrophobicContact CE1-CD1 3.64Å; F60-L79 HydrophobicContact CZ-CD1 4.03Å; F60-Y82 HydrophobicContact CE2-CE1 4.1Å; F60-Y82 HydrophobicContact CZ-CD1 4.36Å; F60-Y82 AromaticContact CZ-CE1 3.84Å; F60-Y82 HydrophobicContact CZ-CE1 3.84Å; F60-D290 HydrophobicContact CB-CB 4.23Å; F60-D290 VanDerWaalsContact CB-CG 3.43Å; F60-D290 VanDerWaalsContact CB-OD1 3.22Å; F60-D290 WeakPolarHBondContact CB-OD1 3.48Å; F60-D290 HydrophobicContact CD1-CB 3.91Å; F60-D290 HydrophobicContact CD2-CB 3.82Å; F60-D290 HydrophobicContact CE1-CB 4.16Å; F60-D290 HydrophobicContact CE2-CB 4.08Å; F60-D290 HydrophobicContact CG-CB 3.73Å; F60-D290 VanDerWaalsContact CG-CG 3.47Å; F60-D290 HydrophobicContact CZ-CB 4.23Å
61	L	97.4	Very high	91.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-35.4	-179.3	-66.8	-178	0	0	0	113.3	V37 L40 R41 F56 S57 D58 R63 F64 L65 L79	V37-L61 HydrophobicContact CG1-CB 4.35Å; V37-L61 HydrophobicContact CG1-CD1 4.08Å; L40-L61 HydrophobicContact CD2-CB 4.21Å; L40-L61 HydrophobicContact CD2-CD2 4.13Å; L40-L61 HydrophobicContact CG-CD2 4.21Å; R41-L61 HydrophobicContact CB-CD1 3.57Å; R41-L61 HydrophobicContact CG-CD1 4.26Å; F56-L61 HydrophobicContact CB-CD1 3.94Å; F56-L61 HydrophobicContact CB-CD2 3.74Å; F56-L61 HydrophobicContact CB-CG 3.78Å; F56-L61 HydrophobicContact CG-CD2 4.08Å; S57-L61 WeakPolarHBondContact O-CG 3.3Å; S57-L61 PolarHBondContact O-N 3.37Å; S57-L61 VanDerWaalsContact O-N 3.13Å; D58-L61 PolarHBondContact O-N 2.87Å; D58-L61 VanDerWaalsContact O-N 3.16Å; L61-R63 PolarHBondContact O-N 3.42Å; L61-F64 PolarHBondContact O-N 3.1Å; L61-F64 VanDerWaalsContact O-N 3.1Å; L61-L65 PolarHBondContact O-N 3.07Å; L61-L79 HydrophobicContact CD2-CD2 3.91Å
62	I	97.9	Very high	93.1	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-32.4	177.6	-75.4	169.9	0	0	0	111.9	D28 V37 D58 F60 F64 L65 R66	D28-I62 HydrophobicContact CB-CD1 3.87Å; D28-I62 WeakPolarHBondContact O-CD1 3.43Å; V37-I62 HydrophobicContact CG2-CD1 4.28Å; V37-I62 HydrophobicContact CG2-CG1 3.75Å; D58-I62 WeakPolarHBondContact O-CB 3.31Å; D58-I62 VanDerWaalsContact O-CG1 3.27Å; D58-I62 WeakPolarHBondContact O-CG1 3.28Å; D58-I62 PolarHBondContact O-N 3.46Å; F60-I62 VanDerWaalsContact C-N 3.33Å; F60-I62 PolarHBondContact O-N 3.48Å; I62-F64 VanDerWaalsContact C-N 3.32Å; I62-F64 PolarHBondContact O-N 3.01Å; I62-L65 PolarHBondContact O-N 3.35Å; I62-R66 HydrophobicContact CG2-CG 4.22Å; I62-R66 VanDerWaalsContact CG2-NH1 3.32Å; I62-R66 WeakPolarHBondContact O-CB 3.45Å; I62-R66 PolarHBondContact O-N 3.43Å
63	R	98	Very high	94.4	Very high	15 Å²	15	33.8 Å²	33.8	6%	0.057	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-43.3	177.2	-55.5	177.4	-157.4	171.4	8.3	111.1	G59 F60 L61 A67 Q159 P197	G59-R63 WeakPolarHBondContact O-CG 3.41Å; G59-R63 PolarHBondContact O-NE 3.39Å; F60-R63 WeakPolarHBondContact O-CB 3.42Å; F60-R63 PolarHBondContact O-N 2.84Å; L61-R63 PolarHBondContact O-N 3.42Å; R63-A67 WeakPolarHBondContact O-CB 3.41Å; R63-A67 PolarHBondContact O-N 3.42Å; R63-Q159 HydrophobicContact CG-CG 4.47Å; R63-P197 HydrophobicContact CB-CB 3.93Å; R63-P197 HydrophobicContact CB-CG 4.14Å
64	F	98.3	Very high	95.3	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-68.9	-44	178.7	-64.2	-89.2	0	0	0	111.4	L40 F60 L61 I62 A67 R68 S75 L78 L79 Y82 P197	L40-F64 HydrophobicContact CD2-CB 4.25Å; F60-F64 HydrophobicContact CD1-CE2 4.05Å; F60-F64 HydrophobicContact CD2-CE2 4.22Å; F60-F64 HydrophobicContact CE1-CD2 4.42Å; F60-F64 AromaticContact CE1-CE2 3.63Å; F60-F64 HydrophobicContact CE1-CE2 3.63Å; F60-F64 HydrophobicContact CE1-CZ 4.28Å; F60-F64 AromaticContact CE2-CE2 3.82Å; F60-F64 HydrophobicContact CE2-CE2 3.82Å; F60-F64 HydrophobicContact CE2-CZ 4.25Å; F60-F64 HydrophobicContact CG-CE2 4.32Å; F60-F64 AromaticContact CZ-CE2 3.51Å; F60-F64 HydrophobicContact CZ-CE2 3.51Å; F60-F64 AromaticContact CZ-CZ 3.84Å; F60-F64 HydrophobicContact CZ-CZ 3.84Å; F60-F64 VanDerWaalsContact O-CD2 3.25Å; F60-F64 WeakPolarHBondContact O-CD2 3.42Å; L61-F64 PolarHBondContact O-N 3.1Å; L61-F64 VanDerWaalsContact O-N 3.1Å; I62-F64 VanDerWaalsContact C-N 3.32Å; I62-F64 PolarHBondContact O-N 3.01Å; F64-A67 PolarHBondContact O-N 3.38Å; F64-R68 PolarHBondContact O-N 3.02Å; F64-S75 PolarHBondContact O-OG 3.28Å; F64-L78 HydrophobicContact CD1-CB 4.25Å; F64-L78 HydrophobicContact CD1-CD2 3.99Å; F64-L78 HydrophobicContact CD1-CG 3.74Å; F64-L78 HydrophobicContact CE1-CG 4.22Å; F64-L79 HydrophobicContact CD1-CB 3.76Å; F64-L79 HydrophobicContact CD1-CD1 4.28Å; F64-L79 HydrophobicContact CD2-CD1 4.19Å; F64-L79 VanDerWaalsContact CE1-CA 3.49Å; F64-L79 HydrophobicContact CE1-CB 4.05Å; F64-L79 HydrophobicContact CE1-CD1 3.92Å; F64-L79 HydrophobicContact CE2-CD1 3.81Å; F64-L79 HydrophobicContact CG-CB 4.14Å; F64-L79 HydrophobicContact CG-CD1 4.44Å; F64-L79 HydrophobicContact CZ-CD1 3.66Å; F64-Y82 HydrophobicContact CE1-CD1 4.14Å; F64-Y82 HydrophobicContact CE1-CG 4.07Å; F64-Y82 AromaticContact CZ-CD1 3.67Å; F64-Y82 HydrophobicContact CZ-CD1 3.67Å; F64-Y82 HydrophobicContact CZ-CE1 4.15Å; F64-Y82 AromaticContact CZ-CG 3.98Å; F64-Y82 HydrophobicContact CZ-CG 3.98Å; F64-P197 HydrophobicContact CD1-CB 4.08Å; F64-P197 HydrophobicContact CE1-CB 4.07Å; F64-P197 HydrophobicContact CE1-CG 4.1Å; F64-P197 HydrophobicContact CE2-CG 4.35Å; F64-P197 HydrophobicContact CG-CB 4.32Å; F64-P197 HydrophobicContact CZ-CB 4.33Å; F64-P197 HydrophobicContact CZ-CG 3.97Å
65	L	98.4	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-53.4	175.4	-70	168.8	0	0	0	111.2	V37 L40 L61 I62 A67 R68 D69 F70 L72 S75	V37-L65 HydrophobicContact CB-CD1 4.49Å; V37-L65 HydrophobicContact CG2-CD1 3.74Å; L40-L65 HydrophobicContact CB-CD2 4.32Å; L40-L65 HydrophobicContact CD2-CD1 4.35Å; L40-L65 HydrophobicContact CD2-CD2 3.83Å; L40-L65 HydrophobicContact CD2-CG 3.7Å; L61-L65 PolarHBondContact O-N 3.07Å; I62-L65 PolarHBondContact O-N 3.35Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 2.99Å; L65-R68 CarbonylContact O-C 3.48Å; L65-R68 PolarHBondContact O-N 3.25Å; L65-R68 VanDerWaalsContact O-N 3.08Å; L65-D69 PolarHBondContact O-N 2.72Å; L65-F70 HydrophobicContact CB-CD1 3.83Å; L65-F70 HydrophobicContact CB-CE1 3.75Å; L65-F70 HydrophobicContact CB-CE2 4.49Å; L65-F70 HydrophobicContact CB-CG 4.24Å; L65-F70 HydrophobicContact CB-CZ 4.11Å; L65-F70 HydrophobicContact CD1-CD1 4.22Å; L65-F70 HydrophobicContact CD1-CE1 3.97Å; L65-F70 HydrophobicContact CD2-CD1 4.29Å; L65-F70 HydrophobicContact CG-CD1 4.34Å; L65-F70 HydrophobicContact CG-CE1 4.37Å; L65-F70 PolarHBondContact O-N 3.17Å; L65-L72 HydrophobicContact CD2-CD2 3.9Å; L65-S75 WeakPolarHBondContact CA-OG 3.37Å
66	R	98.1	Very high	96.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-40.1	178.4	-79.2	-178.6	176.4	138.9	2.5	112.1	T24 L26 D28 I62 R68 D69 F70 Q159 K199	T24-R66 HydrophobicContact CG2-CG 4.37Å; T24-R66 PolarHBondContact O-NE 3.06Å; L26-R66 PolarHBondContact O-NH2 2.6Å; D28-R66 IonicContact OD1-CZ 2.75Å; D28-R66 IonicContact OD1-NH1 3.15Å; D28-R66 PolarHBondContact OD1-NH1 3.37Å; D28-R66 IonicContact OD1-NH2 3.77Å; D28-R66 PolarHBondContact OD1-NH2 3.44Å; D28-R66 IonicContact OD2-NH1 2.75Å; I62-R66 HydrophobicContact CG2-CG 4.22Å; I62-R66 VanDerWaalsContact CG2-NH1 3.32Å; I62-R66 WeakPolarHBondContact O-CB 3.45Å; I62-R66 PolarHBondContact O-N 3.43Å; R66-R68 PolarHBondContact O-N 3.05Å; R66-R68 VanDerWaalsContact O-N 3.09Å; R66-D69 PolarHBondContact O-N 2.87Å; R66-F70 HydrophobicContact CG-CE2 3.69Å; R66-F70 HydrophobicContact CG-CZ 4.04Å; R66-Q159 HydrophobicContact CB-CB 4.13Å; R66-Q159 VanDerWaalsContact CD-OE1 3.31Å; R66-K199 WeakPolarHBondContact O-CE 3.37Å; R66-K199 PolarHBondContact O-NZ 2.98Å
67	A	97.6	Very high	96.9	Very high	6 Å²	6	36.6 Å²	36.6	5%	0.05	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-17.1	177.9	0	0	0	0	0	113.6	R63 F64 L65 L78 P197	R63-A67 WeakPolarHBondContact O-CB 3.41Å; R63-A67 PolarHBondContact O-N 3.42Å; F64-A67 PolarHBondContact O-N 3.38Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 2.99Å; A67-L78 HydrophobicContact CB-CD2 3.68Å; A67-P197 HydrophobicContact CB-CB 4.22Å
68	R	97.1	Very high	97.1	Very high	50 Å²	50	35.1 Å²	35.1	19%	0.189	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	24.6	178.8	-62.7	-62.4	-177.9	-97.6	7.4	113.3	F64 L65 R66 F70 D71 L74 L78 S193	F64-R68 PolarHBondContact O-N 3.02Å; L65-R68 CarbonylContact O-C 3.48Å; L65-R68 PolarHBondContact O-N 3.25Å; L65-R68 VanDerWaalsContact O-N 3.08Å; R66-R68 PolarHBondContact O-N 3.05Å; R66-R68 VanDerWaalsContact O-N 3.09Å; R68-F70 PolarHBondContact O-N 3.01Å; R68-F70 VanDerWaalsContact O-N 3.16Å; R68-D71 VanDerWaalsContact O-CB 3.3Å; R68-D71 WeakPolarHBondContact O-CB 3.45Å; R68-D71 PolarHBondContact O-N 2.8Å; R68-L74 HydrophobicContact CB-CB 3.94Å; R68-L74 HydrophobicContact CG-CB 3.91Å; R68-L78 HydrophobicContact CG-CB 4.45Å; R68-L78 HydrophobicContact CG-CD2 3.98Å; R68-S193 PolarHBondContact NH2-O 3.3Å
69	D	95.9	Very high	97.1	Very high	79 Å²	79	31.1 Å²	31.1	42%	0.422	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	41.7	175.2	-51.1	-46.1	0	0	0	111.8	G20 L65 R66 D71 K199	G20-D69 WeakPolarHBondContact CA-O 3.3Å; L65-D69 PolarHBondContact O-N 2.72Å; R66-D69 PolarHBondContact O-N 2.87Å; D69-D71 PolarHBondContact O-N 3.42Å; D69-K199 IonicContact OD1-NZ 3.5Å; D69-K199 PolarHBondContact OD1-NZ 3.01Å
70	F	96.6	Very high	97.2	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.035	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	19	-179.1	-70.9	-100.1	0	0	0	115.7	L23 L33 Y36 L65 R66 R68 L72	L23-F70 HydrophobicContact CB-CB 4.23Å; L23-F70 HydrophobicContact CB-CD1 4.2Å; L23-F70 HydrophobicContact CB-CD2 3.51Å; L23-F70 HydrophobicContact CB-CE2 3.88Å; L23-F70 HydrophobicContact CB-CG 3.7Å; L23-F70 HydrophobicContact CB-CZ 4.36Å; L23-F70 HydrophobicContact CD1-CB 3.71Å; L23-F70 HydrophobicContact CD1-CD1 4.37Å; L23-F70 HydrophobicContact CD1-CG 3.97Å; L23-F70 HydrophobicContact CG-CG 4.45Å; L33-F70 HydrophobicContact CB-CE1 4.4Å; L33-F70 HydrophobicContact CD1-CE1 4.42Å; L33-F70 HydrophobicContact CD1-CZ 4.1Å; L33-F70 HydrophobicContact CD2-CD1 4.37Å; L33-F70 HydrophobicContact CD2-CE1 3.56Å; L33-F70 HydrophobicContact CD2-CE2 4.48Å; L33-F70 HydrophobicContact CD2-CZ 3.61Å; L33-F70 HydrophobicContact CG-CE1 4.33Å; L33-F70 HydrophobicContact CG-CZ 4.39Å; Y36-F70 HydrophobicContact CD1-CB 4.14Å; Y36-F70 HydrophobicContact CD1-CD1 4.16Å; Y36-F70 HydrophobicContact CD2-CD1 4.3Å; Y36-F70 HydrophobicContact CE1-CB 4.24Å; Y36-F70 AromaticContact CG-CD1 3.88Å; Y36-F70 HydrophobicContact CG-CD1 3.88Å; L65-F70 HydrophobicContact CB-CD1 3.83Å; L65-F70 HydrophobicContact CB-CE1 3.75Å; L65-F70 HydrophobicContact CB-CE2 4.49Å; L65-F70 HydrophobicContact CB-CG 4.24Å; L65-F70 HydrophobicContact CB-CZ 4.11Å; L65-F70 HydrophobicContact CD1-CD1 4.22Å; L65-F70 HydrophobicContact CD1-CE1 3.97Å; L65-F70 HydrophobicContact CD2-CD1 4.29Å; L65-F70 HydrophobicContact CG-CD1 4.34Å; L65-F70 HydrophobicContact CG-CE1 4.37Å; L65-F70 PolarHBondContact O-N 3.17Å; R66-F70 HydrophobicContact CG-CE2 3.69Å; R66-F70 HydrophobicContact CG-CZ 4.04Å; R68-F70 PolarHBondContact O-N 3.01Å; R68-F70 VanDerWaalsContact O-N 3.16Å; F70-L72 PolarHBondContact O-N 3.49Å
71	D	96.8	Very high	97.2	Very high	62 Å²	62	34 Å²	34	33%	0.332	18%	0.175	S	C	.	.			trans	-72.3	109.3	166.2	-174.2	-60.7	0	0	0	110	R68 D69 T73 L74 S75	R68-D71 VanDerWaalsContact O-CB 3.3Å; R68-D71 WeakPolarHBondContact O-CB 3.45Å; R68-D71 PolarHBondContact O-N 2.8Å; D69-D71 PolarHBondContact O-N 3.42Å; D71-T73 PolarHBondContact O-N 3.23Å; D71-T73 PolarHBondContact OD1-N 3Å; D71-T73 VanDerWaalsContact OD1-N 3.12Å; D71-L74 HydrophobicContact CB-CB 4.09Å; D71-L74 HydrophobicContact CB-CD1 4.07Å; D71-L74 HydrophobicContact CB-CG 4.23Å; D71-L74 PolarHBondContact O-N 3.22Å; D71-L74 WeakPolarHBondContact OD1-CB 3.25Å; D71-L74 WeakPolarHBondContact OD1-CG 3.49Å; D71-L74 PolarHBondContact OD1-N 2.88Å; D71-S75 WeakPolarHBondContact O-CB 3.18Å; D71-S75 PolarHBondContact O-N 3.39Å; D71-S75 PolarHBondContact O-OG 3.1Å
72	L	96.3	Very high	97.2	Very high	41 Å²	41	34.1 Å²	34.1	22%	0.215	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-42.3	-174.7	-71.8	172.9	0	0	0	112.9	Y36 L40 L65 F70 S75 L76	Y36-L72 HydrophobicContact CD1-CD2 4.17Å; Y36-L72 HydrophobicContact CD1-CG 4.19Å; Y36-L72 WeakPolarHBondContact O-CD2 3.38Å; L40-L72 HydrophobicContact CB-CD2 4.2Å; L65-L72 HydrophobicContact CD2-CD2 3.9Å; F70-L72 PolarHBondContact O-N 3.49Å; L72-S75 PolarHBondContact O-N 3.38Å; L72-L76 WeakPolarHBondContact O-CB 3.44Å; L72-L76 PolarHBondContact O-N 3.13Å
73	T	96.4	Very high	97	Very high	110 Å²	110	34.3 Å²	34.3	68%	0.675	18%	0.176	S	C	*	.	H	α-helix	trans	-66.5	-46.7	-178.3	-55.8	0	0	0	0	110.8	D71 S75 K77	D71-T73 PolarHBondContact O-N 3.23Å; D71-T73 PolarHBondContact OD1-N 3Å; D71-T73 VanDerWaalsContact OD1-N 3.12Å; T73-S75 VanDerWaalsContact C-N 3.33Å; T73-K77 WeakPolarHBondContact O-CB 3.4Å; T73-K77 PolarHBondContact O-N 3.26Å
74	L	97	Very high	96.9	Very high	85 Å²	85	38.1 Å²	38.1	45%	0.445	19%	0.194	S	C	.	.	H	α-helix	trans	-68.1	-34.3	177.6	-64.4	-180	0	0	0	112	R68 D71 L78	R68-L74 HydrophobicContact CB-CB 3.94Å; R68-L74 HydrophobicContact CG-CB 3.91Å; D71-L74 HydrophobicContact CB-CB 4.09Å; D71-L74 HydrophobicContact CB-CD1 4.07Å; D71-L74 HydrophobicContact CB-CG 4.23Å; D71-L74 PolarHBondContact O-N 3.22Å; D71-L74 WeakPolarHBondContact OD1-CB 3.25Å; D71-L74 WeakPolarHBondContact OD1-CG 3.49Å; D71-L74 PolarHBondContact OD1-N 2.88Å; L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 PolarHBondContact O-N 3.16Å
75	S	97.8	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.9	-45.4	177	-58.8	0	0	0	0	111.6	F64 L65 D71 L72 T73 L78 L79	F64-S75 PolarHBondContact O-OG 3.28Å; L65-S75 WeakPolarHBondContact CA-OG 3.37Å; D71-S75 WeakPolarHBondContact O-CB 3.18Å; D71-S75 PolarHBondContact O-N 3.39Å; D71-S75 PolarHBondContact O-OG 3.1Å; L72-S75 PolarHBondContact O-N 3.38Å; T73-S75 VanDerWaalsContact C-N 3.33Å; S75-L78 PolarHBondContact O-N 3.47Å; S75-L79 PolarHBondContact O-N 3.2Å
76	L	96.8	Very high	96.6	Very high	41 Å²	41	39.2 Å²	39.2	22%	0.215	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-47	175.1	179.4	63.1	0	0	0	110.8	L40 A43 A44 L72 L78 L79 L80	L40-L76 HydrophobicContact CD1-CB 3.83Å; L40-L76 HydrophobicContact CD1-CD1 4.23Å; A43-L76 HydrophobicContact CB-CD1 4.24Å; A43-L76 HydrophobicContact CB-CD2 3.88Å; A44-L76 HydrophobicContact CB-CD1 4.14Å; L72-L76 WeakPolarHBondContact O-CB 3.44Å; L72-L76 PolarHBondContact O-N 3.13Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 2.72Å; L76-L79 PolarHBondContact O-N 3.24Å; L76-L80 HydrophobicContact CD1-CD1 4.31Å; L76-L80 HydrophobicContact CD1-CG 4.26Å; L76-L80 HydrophobicContact CG-CD1 4.17Å; L76-L80 HydrophobicContact CG-CG 4.49Å; L76-L80 WeakPolarHBondContact O-CG 3.31Å; L76-L80 PolarHBondContact O-N 3.27Å
77	K	96.9	Very high	96.4	Very high	121 Å²	121	44.8 Å²	44.8	53%	0.526	22%	0.22	S	C	.	.	H	α-helix	trans	-56.9	-45.9	176.4	-177.8	176.6	177.8	178.4	0	111.9	T73 L79 L80 N81	T73-K77 WeakPolarHBondContact O-CB 3.4Å; T73-K77 PolarHBondContact O-N 3.26Å; K77-L79 VanDerWaalsContact C-N 3.35Å; K77-L79 PolarHBondContact O-N 3.42Å; K77-L80 PolarHBondContact O-N 2.67Å; K77-N81 VanDerWaalsContact O-CB 3.28Å; K77-N81 WeakPolarHBondContact O-CB 3.34Å; K77-N81 PolarHBondContact O-N 3.45Å
78	L	98	Very high	96.2	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-41.4	177.8	178.1	61.4	0	0	0	112.2	F64 A67 R68 L74 S75 L76 N81 Y82 D194 P197	F64-L78 HydrophobicContact CD1-CB 4.25Å; F64-L78 HydrophobicContact CD1-CD2 3.99Å; F64-L78 HydrophobicContact CD1-CG 3.74Å; F64-L78 HydrophobicContact CE1-CG 4.22Å; A67-L78 HydrophobicContact CB-CD2 3.68Å; R68-L78 HydrophobicContact CG-CB 4.45Å; R68-L78 HydrophobicContact CG-CD2 3.98Å; L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 PolarHBondContact O-N 3.16Å; S75-L78 PolarHBondContact O-N 3.47Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 2.72Å; L78-N81 PolarHBondContact O-N 3.23Å; L78-Y82 WeakPolarHBondContact O-CB 3.31Å; L78-Y82 PolarHBondContact O-N 3.23Å; L78-D194 WeakPolarHBondContact CD1-O 3.33Å; L78-P197 HydrophobicContact CD2-CB 4.36Å
79	L	97.2	Very high	96.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-50.8	176.7	174.4	58.9	0	0	0	111.4	A44 F60 L61 F64 S75 L76 K77 N81 Y82 L83	A44-L79 HydrophobicContact CB-CD2 3.67Å; F60-L79 HydrophobicContact CE1-CD1 3.64Å; F60-L79 HydrophobicContact CZ-CD1 4.03Å; L61-L79 HydrophobicContact CD2-CD2 3.91Å; F64-L79 HydrophobicContact CD1-CB 3.76Å; F64-L79 HydrophobicContact CD1-CD1 4.28Å; F64-L79 HydrophobicContact CD2-CD1 4.19Å; F64-L79 VanDerWaalsContact CE1-CA 3.49Å; F64-L79 HydrophobicContact CE1-CB 4.05Å; F64-L79 HydrophobicContact CE1-CD1 3.92Å; F64-L79 HydrophobicContact CE2-CD1 3.81Å; F64-L79 HydrophobicContact CG-CB 4.14Å; F64-L79 HydrophobicContact CG-CD1 4.44Å; F64-L79 HydrophobicContact CZ-CD1 3.66Å; S75-L79 PolarHBondContact O-N 3.2Å; L76-L79 PolarHBondContact O-N 3.24Å; K77-L79 VanDerWaalsContact C-N 3.35Å; K77-L79 PolarHBondContact O-N 3.42Å; L79-N81 VanDerWaalsContact C-N 3.32Å; L79-N81 PolarHBondContact O-N 3.37Å; L79-Y82 PolarHBondContact O-N 3.4Å; L79-L83 HydrophobicContact CD1-CD1 3.93Å; L79-L83 HydrophobicContact CD1-CG 4.18Å; L79-L83 HydrophobicContact CG-CD1 4.16Å; L79-L83 VanDerWaalsContact O-CG 3.31Å; L79-L83 WeakPolarHBondContact O-CG 3.21Å; L79-L83 PolarHBondContact O-N 3.09Å
80	L	95.4	Very high	96.1	Very high	54 Å²	54	46.9 Å²	46.9	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-61	-42.4	178.3	-64.3	177.6	0	0	0	111.7	A47 L50 L76 K77 Y82 L83 H84	A47-L80 HydrophobicContact CB-CD1 4.41Å; A47-L80 HydrophobicContact CB-CD2 3.86Å; L50-L80 HydrophobicContact CD1-CD2 3.65Å; L50-L80 HydrophobicContact CG-CD2 4.41Å; L76-L80 HydrophobicContact CD1-CD1 4.31Å; L76-L80 HydrophobicContact CD1-CG 4.26Å; L76-L80 HydrophobicContact CG-CD1 4.17Å; L76-L80 HydrophobicContact CG-CG 4.49Å; L76-L80 WeakPolarHBondContact O-CG 3.31Å; L76-L80 PolarHBondContact O-N 3.27Å; K77-L80 PolarHBondContact O-N 2.67Å; L80-Y82 PolarHBondContact O-N 2.66Å; L80-L83 PolarHBondContact O-N 3.28Å; L80-H84 VanDerWaalsContact O-CB 3.31Å; L80-H84 WeakPolarHBondContact O-CB 3.22Å; L80-H84 PolarHBondContact O-N 3.18Å
81	N	96.8	Very high	95.9	Very high	38 Å²	38	49.2 Å²	49.2	20%	0.203	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-38.9	176	-78.4	-5.4	0	0	0	113	K77 L78 L79 W85 D194	K77-N81 VanDerWaalsContact O-CB 3.28Å; K77-N81 WeakPolarHBondContact O-CB 3.34Å; K77-N81 PolarHBondContact O-N 3.45Å; L78-N81 PolarHBondContact O-N 3.23Å; L79-N81 VanDerWaalsContact C-N 3.32Å; L79-N81 PolarHBondContact O-N 3.37Å; N81-W85 WeakPolarHBondContact O-CB 3Å; N81-W85 PolarHBondContact O-N 3.39Å; N81-D194 WeakPolarHBondContact CB-O 3.48Å; N81-D194 PolarHBondContact ND2-O 3.15Å; N81-D194 PolarHBondContact ND2-OD2 2.83Å
82	Y	97.2	Very high	95.8	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-46	175.9	163.6	-99.3	0	0	0	111	F60 F64 L78 L79 L80 W85 R86 E150 S195 F196 T288	F60-Y82 HydrophobicContact CE2-CE1 4.1Å; F60-Y82 HydrophobicContact CZ-CD1 4.36Å; F60-Y82 AromaticContact CZ-CE1 3.84Å; F60-Y82 HydrophobicContact CZ-CE1 3.84Å; F64-Y82 HydrophobicContact CE1-CD1 4.14Å; F64-Y82 HydrophobicContact CE1-CG 4.07Å; F64-Y82 AromaticContact CZ-CD1 3.67Å; F64-Y82 HydrophobicContact CZ-CD1 3.67Å; F64-Y82 HydrophobicContact CZ-CE1 4.15Å; F64-Y82 AromaticContact CZ-CG 3.98Å; F64-Y82 HydrophobicContact CZ-CG 3.98Å; L78-Y82 WeakPolarHBondContact O-CB 3.31Å; L78-Y82 PolarHBondContact O-N 3.23Å; L79-Y82 PolarHBondContact O-N 3.4Å; L80-Y82 PolarHBondContact O-N 2.66Å; Y82-W85 PolarHBondContact O-N 3.3Å; Y82-R86 HydrophobicContact CE2-CG 4.28Å; Y82-R86 WeakPolarHBondContact O-CG 3.47Å; Y82-R86 PolarHBondContact O-N 3.49Å; Y82-R86 WeakPolarHBondContact OH-CD 3.21Å; Y82-R86 PolarHBondContact OH-NH1 2.77Å; Y82-E150 PolarHBondContact OH-OE1 2.86Å; Y82-S195 WeakPolarHBondContact CA-O 3.21Å; Y82-S195 WeakPolarHBondContact CB-O 3.23Å; Y82-S195 WeakPolarHBondContact CD2-O 3.46Å; Y82-F196 HydrophobicContact CD2-CD2 4.06Å; Y82-F196 HydrophobicContact CD2-CE2 4.41Å; Y82-F196 HydrophobicContact CE2-CD2 4.01Å; Y82-F196 AromaticContact CE2-CE2 3.9Å; Y82-F196 HydrophobicContact CE2-CE2 3.9Å; Y82-T288 VanDerWaalsContact CE1-O 3.29Å; Y82-T288 WeakPolarHBondContact CE1-O 3.37Å
83	L	94.7	Very high	95.7	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-66	-42.6	178.3	-62.6	173.4	0	0	0	111.8	L50 F56 L79 L80 R86 R87 T288	L50-L83 HydrophobicContact CD1-CD1 3.64Å; L50-L83 HydrophobicContact CD2-CD1 3.53Å; L50-L83 HydrophobicContact CG-CD1 4.23Å; F56-L83 HydrophobicContact CE1-CD1 4.42Å; F56-L83 HydrophobicContact CZ-CD1 4.19Å; L79-L83 HydrophobicContact CD1-CD1 3.93Å; L79-L83 HydrophobicContact CD1-CG 4.18Å; L79-L83 HydrophobicContact CG-CD1 4.16Å; L79-L83 VanDerWaalsContact O-CG 3.31Å; L79-L83 WeakPolarHBondContact O-CG 3.21Å; L79-L83 PolarHBondContact O-N 3.09Å; L80-L83 PolarHBondContact O-N 3.28Å; L83-R86 PolarHBondContact O-N 2.86Å; L83-R87 WeakPolarHBondContact O-CG 3.24Å; L83-R87 PolarHBondContact O-N 3.15Å; L83-T288 HydrophobicContact CD2-CG2 4.06Å
84	H	94.6	Very high	95.5	Very high	96 Å²	96	43.5 Å²	43.5	44%	0.444	21%	0.214	S	C	.	.	H	α-helix	trans	-61.6	-47.6	173.7	180	69.6	0	0	0	111.7	L80 R86 R87 E88	L80-H84 VanDerWaalsContact O-CB 3.31Å; L80-H84 WeakPolarHBondContact O-CB 3.22Å; L80-H84 PolarHBondContact O-N 3.18Å; H84-R86 VanDerWaalsContact C-N 3.28Å; H84-R86 PolarHBondContact O-N 3.06Å; H84-R87 PolarHBondContact O-N 3.01Å; H84-E88 WeakPolarHBondContact CE1-CG 3.39Å; H84-E88 WeakPolarHBondContact O-CG 2.85Å; H84-E88 PolarHBondContact O-N 3.08Å
85	W	96.1	Very high	95.4	Very high	10 Å²	10	41.4 Å²	41.4	4%	0.038	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-39.7	179	-177.9	94	0	0	0	112.4	N81 Y82 R87 E88 S89 I92 F142 L146 K187 V191	N81-W85 WeakPolarHBondContact O-CB 3Å; N81-W85 PolarHBondContact O-N 3.39Å; Y82-W85 PolarHBondContact O-N 3.3Å; W85-R87 VanDerWaalsContact C-N 3.35Å; W85-R87 PolarHBondContact O-N 3.24Å; W85-E88 PolarHBondContact O-N 2.98Å; W85-S89 WeakPolarHBondContact O-CB 3.41Å; W85-S89 PolarHBondContact O-N 3.39Å; W85-S89 PolarHBondContact O-OG 2.91Å; W85-I92 HydrophobicContact CH2-CB 4.23Å; W85-I92 HydrophobicContact CH2-CD1 4.44Å; W85-I92 HydrophobicContact CH2-CG2 3.9Å; W85-I92 HydrophobicContact CZ2-CD1 4.17Å; W85-F142 AromaticContact CZ2-CE1 3.93Å; W85-F142 HydrophobicContact CZ2-CE1 3.93Å; W85-F142 HydrophobicContact CZ2-CZ 4.48Å; W85-L146 HydrophobicContact CH2-CD1 4.37Å; W85-L146 HydrophobicContact CH2-CD2 3.9Å; W85-L146 HydrophobicContact CZ3-CD1 4.15Å; W85-L146 HydrophobicContact CZ3-CD2 3.8Å; W85-K187 PolarHBondContact NE1-O 2.8Å; W85-V191 HydrophobicContact CD2-CG2 4.06Å; W85-V191 VanDerWaalsContact CE2-CG2 3.43Å; W85-V191 HydrophobicContact CH2-CG2 4.05Å; W85-V191 HydrophobicContact CZ2-CG2 3.45Å; W85-V191 VanDerWaalsContact CZ2-CG2 3.45Å
86	R	95.1	Very high	95.4	Very high	14 Å²	14	41.5 Å²	41.5	5%	0.053	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-42.4	174.7	-75.4	171.8	60.9	90.2	4.9	112.3	Y82 L83 H84 S93 E150 I283 H286	Y82-R86 HydrophobicContact CE2-CG 4.28Å; Y82-R86 WeakPolarHBondContact O-CG 3.47Å; Y82-R86 PolarHBondContact O-N 3.49Å; Y82-R86 WeakPolarHBondContact OH-CD 3.21Å; Y82-R86 PolarHBondContact OH-NH1 2.77Å; L83-R86 PolarHBondContact O-N 2.86Å; H84-R86 VanDerWaalsContact C-N 3.28Å; H84-R86 PolarHBondContact O-N 3.06Å; R86-S93 PolarHBondContact O-OG 3.12Å; R86-E150 IonicContact NH1-OE1 2.88Å; R86-I283 PolarHBondContact NH2-O 3.33Å; R86-H286 PolarHBondContact NH2-O 2.91Å
87	R	93.3	Very high	95.4	Very high	117 Å²	117	40.2 Å²	40.2	44%	0.442	20%	0.2	S	C	.	.	H	α-helix	trans	-68.9	-39.4	178.2	-69.1	-174.4	-66.6	-158	6.5	112.5	D49 L83 H84 W85 S89 P90	D49-R87 PolarHBondContact O-NH1 2.81Å; D49-R87 IonicContact OD2-CZ 2.81Å; D49-R87 IonicContact OD2-NH2 3.74Å; D49-R87 PolarHBondContact OD2-NH2 3.2Å; L83-R87 WeakPolarHBondContact O-CG 3.24Å; L83-R87 PolarHBondContact O-N 3.15Å; H84-R87 PolarHBondContact O-N 3.01Å; W85-R87 VanDerWaalsContact C-N 3.35Å; W85-R87 PolarHBondContact O-N 3.24Å; R87-S89 VanDerWaalsContact C-N 3.35Å; R87-P90 WeakPolarHBondContact O-CD 3.49Å
88	E	94.4	Very high	95.4	Very high	116 Å²	116	34.4 Å²	34.4	54%	0.542	18%	0.175	S	C	.	.	H	α-helix	trans	-84.2	-6.8	-178.1	-66.7	-59	126.1	0	0	114.4	H84 W85 K187	H84-E88 WeakPolarHBondContact CE1-CG 3.39Å; H84-E88 WeakPolarHBondContact O-CG 2.85Å; H84-E88 PolarHBondContact O-N 3.08Å; W85-E88 PolarHBondContact O-N 2.98Å; E88-K187 WeakPolarHBondContact O-CE 3.17Å; E88-K187 PolarHBondContact O-NZ 3.35Å
89	S	95.1	Very high	95.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	20%	0.196	C	C	.	.			trans	-126.7	47.8	-179.3	-47	0	0	0	0	112.5	W85 R87 E91 I92 S93 K187	W85-S89 WeakPolarHBondContact O-CB 3.41Å; W85-S89 PolarHBondContact O-N 3.39Å; W85-S89 PolarHBondContact O-OG 2.91Å; R87-S89 VanDerWaalsContact C-N 3.35Å; S89-E91 WeakPolarHBondContact CA-OE2 3.49Å; S89-E91 PolarHBondContact O-N 2.77Å; S89-E91 VanDerWaalsContact O-N 3.16Å; S89-I92 PolarHBondContact O-N 3.06Å; S89-S93 PolarHBondContact O-N 2.73Å; S89-S93 PolarHBondContact O-OG 3.2Å; S89-S93 VanDerWaalsContact O-OG 3.11Å; S89-K187 VanDerWaalsContact OG-CE 3.23Å; S89-K187 WeakPolarHBondContact OG-CE 3.5Å
90	P	94.9	Very high	95.3	Very high	61 Å²	61	39.1 Å²	39.1	40%	0.396	21%	0.208	S	C	.	.	H	α-helix	trans	-61.3	-28.1	-174.5	28.3	-35.5	0	0	0	112.4	R87 I92 S93 T94	R87-P90 WeakPolarHBondContact O-CD 3.49Å; P90-I92 PolarHBondContact O-N 2.97Å; P90-I92 VanDerWaalsContact O-N 3.14Å; P90-S93 WeakPolarHBondContact CA-OG 2.96Å; P90-T94 HydrophobicContact CB-CG2 3.84Å; P90-T94 WeakPolarHBondContact O-CB 3.4Å; P90-T94 PolarHBondContact O-N 3.35Å; P90-T94 PolarHBondContact O-OG1 2.94Å
91	E	93.3	Very high	95.4	Very high	57 Å²	57	36.5 Å²	36.5	27%	0.266	19%	0.194	S	C	.	.	H	α-helix	trans	-65.7	-11.8	175.1	76.2	-81	-159.4	0	0	113.6	S89 F139 R143 K187	S89-E91 WeakPolarHBondContact CA-OE2 3.49Å; S89-E91 PolarHBondContact O-N 2.77Å; S89-E91 VanDerWaalsContact O-N 3.16Å; E91-F139 HydrophobicContact CG-CB 4.21Å; E91-F139 HydrophobicContact CG-CD1 3.46Å; E91-F139 VanDerWaalsContact CG-CD1 3.46Å; E91-F139 HydrophobicContact CG-CD2 4.45Å; E91-F139 HydrophobicContact CG-CE1 3.85Å; E91-F139 HydrophobicContact CG-CG 3.8Å; E91-F139 HydrophobicContact CG-CZ 4.48Å; E91-F139 WeakPolarHBondContact OE1-CE1 3.16Å; E91-R143 PolarHBondContact O-NE 3.33Å; E91-R143 PolarHBondContact O-NH2 2.81Å; E91-K187 IonicContact OE1-NZ 3.79Å; E91-K187 PolarHBondContact OE1-NZ 2.8Å; E91-K187 IonicContact OE2-NZ 2.66Å
92	I	94.4	Very high	95.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-112.8	-47.9	172.5	-57.3	155.2	0	0	0	110.3	W85 S89 P90 F139 F142 R143 L146 K187	W85-I92 HydrophobicContact CH2-CB 4.23Å; W85-I92 HydrophobicContact CH2-CD1 4.44Å; W85-I92 HydrophobicContact CH2-CG2 3.9Å; W85-I92 HydrophobicContact CZ2-CD1 4.17Å; S89-I92 PolarHBondContact O-N 3.06Å; P90-I92 PolarHBondContact O-N 2.97Å; P90-I92 VanDerWaalsContact O-N 3.14Å; I92-F139 HydrophobicContact CD1-CD1 3.85Å; I92-F139 HydrophobicContact CD1-CE1 4.45Å; I92-F139 HydrophobicContact CG1-CB 4.29Å; I92-F139 HydrophobicContact CG1-CD1 3.87Å; I92-F142 HydrophobicContact CD1-CD1 3.53Å; I92-F142 HydrophobicContact CD1-CE1 4.1Å; I92-F142 HydrophobicContact CG1-CD1 4.34Å; I92-F142 HydrophobicContact CG2-CD1 4.42Å; I92-R143 HydrophobicContact CB-CG 4.47Å; I92-R143 HydrophobicContact CG2-CG 3.97Å; I92-L146 HydrophobicContact CG2-CB 4.31Å; I92-L146 HydrophobicContact CG2-CD2 3.77Å; I92-K187 HydrophobicContact CD1-CD 4.25Å
93	S	94.4	Very high	95.5	Very high	5 Å²	5	40 Å²	40	4%	0.035	22%	0.218	C	C	.	.	H	α-helix	trans	-76.9	-26.8	-167.1	62.6	0	0	0	0	115	R86 S89 P90	R86-S93 PolarHBondContact O-OG 3.12Å; S89-S93 PolarHBondContact O-N 2.73Å; S89-S93 PolarHBondContact O-OG 3.2Å; S89-S93 VanDerWaalsContact O-OG 3.11Å; P90-S93 WeakPolarHBondContact CA-OG 2.96Å
94	T	93.1	Very high	95.7	Very high	89 Å²	89	39.7 Å²	39.7	55%	0.546	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-9.8	-172	64	0	0	0	0	114.1	P90	P90-T94 HydrophobicContact CB-CG2 3.84Å; P90-T94 WeakPolarHBondContact O-CB 3.4Å; P90-T94 PolarHBondContact O-N 3.35Å; P90-T94 PolarHBondContact O-OG1 2.94Å
95	C	94	Very high	95.8	Very high	40 Å²	40	35.2 Å²	35.2	27%	0.27	20%	0.196	S	C	.	.			trans	-126	77.6	-177.8	-171.1	0	0	0	0	110.4	R143	C95-R143 WeakPolarHBondContact O-CD 3.37Å
96	L	96.9	Very high	95.9	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.223	C	C	.	.			trans	-101.2	83.1	174.5	-52.8	-176.1	0	0	0	109.1	L146 M147 E150 L280 K281 I283 A284	L96-L146 HydrophobicContact CD2-CB 4.38Å; L96-L146 HydrophobicContact CD2-CD2 3.66Å; L96-L146 HydrophobicContact CD2-CG 3.95Å; L96-M147 HydrophobicContact CB-CG 3.93Å; L96-M147 HydrophobicContact CD2-CG 3.94Å; L96-M147 HydrophobicContact CG-CG 4.48Å; L96-E150 HydrophobicContact CD1-CG 4.2Å; L96-L280 HydrophobicContact CB-CB 3.97Å; L96-L280 HydrophobicContact CB-CD2 4.48Å; L96-L280 WeakPolarHBondContact CB-O 3.08Å; L96-L280 CarbonylContact O-C 3.5Å; L96-L280 VanDerWaalsContact O-CB 3.29Å; L96-L280 WeakPolarHBondContact O-CB 3.39Å; L96-K281 PolarHBondContact O-N 3Å; L96-I283 HydrophobicContact CD1-CB 4.46Å; L96-I283 HydrophobicContact CD1-CG2 3.93Å; L96-A284 HydrophobicContact CB-CB 3.96Å; L96-A284 HydrophobicContact CD1-CB 4.2Å; L96-A284 HydrophobicContact CG-CB 3.86Å
97	S	97.1	Very high	96	Very high	14 Å²	14	43 Å²	43	10%	0.098	24%	0.235	C	C	.	.			trans	-144	122.9	176.3	160.8	0	0	0	0	109.1	S99 S100 M147 E277	S97-S99 PolarHBondContact O-N 2.95Å; S97-S99 WeakPolarHBondContact OG-CB 3.35Å; S97-S99 PolarHBondContact OG-N 3.12Å; S97-S100 WeakPolarHBondContact O-CB 3.37Å; S97-S100 PolarHBondContact O-N 3.29Å; S97-S100 PolarHBondContact O-OG 2.91Å; S97-M147 VanDerWaalsContact C-SD 3.5Å; S97-M147 PolarHBondContact N-SD 3.03Å; S97-M147 VanDerWaalsContact N-SD 3.39Å; S97-E277 PolarHBondContact OG-OE1 3.04Å
98	P	97.3	Very high	96.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-60.8	-30.7	174.9	26.2	-36.1	0	0	0	112	S100 V101 F102 L105 L273 F274 E277	P98-S100 PolarHBondContact O-N 3.47Å; P98-V101 CarbonylContact O-C 3.45Å; P98-V101 PolarHBondContact O-N 2.58Å; P98-F102 WeakPolarHBondContact O-CA 3.26Å; P98-F102 PolarHBondContact O-N 3.21Å; P98-L105 HydrophobicContact CB-CD1 3.86Å; P98-L273 HydrophobicContact CB-CB 4.01Å; P98-L273 HydrophobicContact CG-CB 4.41Å; P98-L273 WeakPolarHBondContact CG-O 3.48Å; P98-F274 HydrophobicContact CB-CD1 4.26Å; P98-F274 HydrophobicContact CB-CD2 4.19Å; P98-F274 HydrophobicContact CB-CE1 4.18Å; P98-F274 HydrophobicContact CB-CE2 4.07Å; P98-F274 HydrophobicContact CB-CG 4.27Å; P98-F274 HydrophobicContact CB-CZ 4.07Å; P98-F274 HydrophobicContact CG-CD1 3.78Å; P98-F274 HydrophobicContact CG-CD2 4.42Å; P98-F274 HydrophobicContact CG-CE1 4.02Å; P98-F274 HydrophobicContact CG-CG 4Å; P98-F274 HydrophobicContact CG-CZ 4.41Å; P98-E277 HydrophobicContact CG-CB 3.92Å; P98-E277 HydrophobicContact CG-CG 4.16Å
99	S	97.3	Very high	96.4	Very high	62 Å²	62	33.1 Å²	33.1	43%	0.434	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-55.4	-35.9	173.3	-60.9	0	0	0	0	112.3	S97 V101 F274 E277	S97-S99 PolarHBondContact O-N 2.95Å; S97-S99 WeakPolarHBondContact OG-CB 3.35Å; S97-S99 PolarHBondContact OG-N 3.12Å; S99-V101 PolarHBondContact O-N 3.25Å; S99-F274 WeakPolarHBondContact OG-CE1 3.44Å; S99-E277 WeakPolarHBondContact CB-OE1 3.42Å; S99-E277 PolarHBondContact OG-OE1 2.85Å; S99-E277 PolarHBondContact OG-OE2 3.31Å; S99-E277 VanDerWaalsContact OG-OE2 3.12Å
100	S	96.6	Very high	96.6	Very high	37 Å²	37	33.1 Å²	33.1	26%	0.259	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-69.8	-17	179.5	77.2	0	0	0	0	114.4	S97 P98 W136	S97-S100 WeakPolarHBondContact O-CB 3.37Å; S97-S100 PolarHBondContact O-N 3.29Å; S97-S100 PolarHBondContact O-OG 2.91Å; P98-S100 PolarHBondContact O-N 3.47Å; S100-W136 WeakPolarHBondContact O-CZ3 3.28Å
101	V	97.2	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-131	19.9	-178	-66	0	0	0	0	111.9	P98 S99 G103 L104 L105 W136 Q140 V144 M147	P98-V101 CarbonylContact O-C 3.45Å; P98-V101 PolarHBondContact O-N 2.58Å; S99-V101 PolarHBondContact O-N 3.25Å; V101-G103 VanDerWaalsContact C-N 3.28Å; V101-G103 PolarHBondContact O-N 3.39Å; V101-L104 WeakPolarHBondContact O-CB 3.48Å; V101-L104 PolarHBondContact O-N 3.37Å; V101-L105 HydrophobicContact CG2-CD1 4.2Å; V101-L105 HydrophobicContact CG2-CG 4.33Å; V101-L105 PolarHBondContact O-N 3.14Å; V101-W136 HydrophobicContact CB-CZ3 4.44Å; V101-W136 HydrophobicContact CG1-CZ3 4.29Å; V101-Q140 HydrophobicContact CG1-CB 4.31Å; V101-V144 HydrophobicContact CB-CG2 4.34Å; V101-V144 HydrophobicContact CG2-CG2 3.95Å; V101-M147 HydrophobicContact CG2-CE 3.6Å
102	F	97.6	Very high	97	Very high	75 Å²	75	27.8 Å²	27.8	33%	0.329	17%	0.166	S	C	.	.	H	α-helix	trans	-61.3	-37.6	-171.5	-180	-145.1	0	0	0	112.8	P98 L104 L105 K106 T270 F274	P98-F102 WeakPolarHBondContact O-CA 3.26Å; P98-F102 PolarHBondContact O-N 3.21Å; F102-L104 PolarHBondContact O-N 3.48Å; F102-L105 PolarHBondContact O-N 2.62Å; F102-K106 HydrophobicContact CD1-CD 4.11Å; F102-K106 HydrophobicContact CD2-CD 4.1Å; F102-K106 HydrophobicContact CD2-CG 3.94Å; F102-K106 HydrophobicContact CE1-CD 3.88Å; F102-K106 HydrophobicContact CE2-CD 3.85Å; F102-K106 HydrophobicContact CE2-CG 3.67Å; F102-K106 HydrophobicContact CG-CD 4.26Å; F102-K106 HydrophobicContact CZ-CD 3.77Å; F102-K106 HydrophobicContact CZ-CG 4.07Å; F102-K106 WeakPolarHBondContact O-CB 3.32Å; F102-K106 WeakPolarHBondContact O-CG 3.13Å; F102-K106 PolarHBondContact O-N 3.03Å; F102-T270 HydrophobicContact CE2-CG2 4.43Å; F102-F274 HydrophobicContact CB-CZ 4.02Å; F102-F274 HydrophobicContact CD1-CZ 4.38Å; F102-F274 AromaticContact CD2-CE2 3.4Å; F102-F274 HydrophobicContact CD2-CE2 3.4Å; F102-F274 VanDerWaalsContact CD2-CE2 3.4Å; F102-F274 AromaticContact CD2-CZ 3.44Å; F102-F274 HydrophobicContact CD2-CZ 3.44Å; F102-F274 VanDerWaalsContact CD2-CZ 3.44Å; F102-F274 AromaticContact CE2-CE2 3.58Å; F102-F274 HydrophobicContact CE2-CE2 3.58Å; F102-F274 AromaticContact CE2-CZ 3.84Å; F102-F274 HydrophobicContact CE2-CZ 3.84Å; F102-F274 HydrophobicContact CG-CE2 4.17Å; F102-F274 AromaticContact CG-CZ 3.72Å; F102-F274 HydrophobicContact CG-CZ 3.72Å; F102-F274 HydrophobicContact CZ-CE2 4.44Å; F102-F274 HydrophobicContact CZ-CZ 4.42Å
103	G	98.1	Very high	97.2	Very high	37 Å²	37	27.9 Å²	27.9	38%	0.381	17%	0.166	S	C	.	.	H	α-helix	trans	-61.2	-33.9	176.2	0	0	0	0	0	112.7	V101	V101-G103 VanDerWaalsContact C-N 3.28Å; V101-G103 PolarHBondContact O-N 3.39Å
104	L	98.1	Very high	97.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-73.6	-41.3	173.3	178.9	64.1	0	0	0	112	V101 F102 K106 T107 Y109 W131 W136 V141 V144	V101-L104 WeakPolarHBondContact O-CB 3.48Å; V101-L104 PolarHBondContact O-N 3.37Å; F102-L104 PolarHBondContact O-N 3.48Å; L104-K106 VanDerWaalsContact C-N 3.25Å; L104-K106 PolarHBondContact O-N 3.41Å; L104-T107 PolarHBondContact O-N 3.48Å; L104-T107 PolarHBondContact O-OG1 2.94Å; L104-Y109 HydrophobicContact CD1-CD1 4.2Å; L104-Y109 HydrophobicContact CD1-CD2 4.07Å; L104-Y109 HydrophobicContact CD1-CG 3.72Å; L104-Y109 HydrophobicContact CD2-CD1 3.93Å; L104-Y109 HydrophobicContact CD2-CE1 4.29Å; L104-Y109 HydrophobicContact CD2-CG 4.31Å; L104-Y109 HydrophobicContact CG-CD1 3.93Å; L104-Y109 HydrophobicContact CG-CG 3.92Å; L104-Y109 WeakPolarHBondContact O-CB 3.19Å; L104-W131 HydrophobicContact CD1-CB 4.16Å; L104-W136 HydrophobicContact CB-CD2 4.04Å; L104-W136 HydrophobicContact CB-CG 4.27Å; L104-W136 HydrophobicContact CB-CZ2 4.28Å; L104-V141 HydrophobicContact CD2-CB 4.38Å; L104-V141 HydrophobicContact CD2-CG2 3.8Å; L104-V144 HydrophobicContact CD2-CG2 4.01Å
105	L	97.9	Very high	97.6	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-36.5	177.8	-65.6	175.2	0	0	0	111.6	P98 V101 F102 T107 S108 V144 T270 L273	P98-L105 HydrophobicContact CB-CD1 3.86Å; V101-L105 HydrophobicContact CG2-CD1 4.2Å; V101-L105 HydrophobicContact CG2-CG 4.33Å; V101-L105 PolarHBondContact O-N 3.14Å; F102-L105 PolarHBondContact O-N 2.62Å; L105-T107 PolarHBondContact O-N 3.49Å; L105-S108 PolarHBondContact O-N 3.26Å; L105-S108 VanDerWaalsContact O-N 3.1Å; L105-V144 HydrophobicContact CD2-CG1 3.92Å; L105-V144 HydrophobicContact CD2-CG2 4.26Å; L105-T270 HydrophobicContact CB-CG2 3.87Å; L105-T270 HydrophobicContact CD1-CG2 4.22Å; L105-L273 HydrophobicContact CD1-CD1 3.96Å; L105-L273 HydrophobicContact CD2-CD1 3.89Å
106	K	97.4	Very high	97.8	Very high	137 Å²	137	31.1 Å²	31.1	60%	0.596	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.3	176.2	-82.6	174.7	147.1	168.3	0	115	F102 L104 S108	F102-K106 HydrophobicContact CD1-CD 4.11Å; F102-K106 HydrophobicContact CD2-CD 4.1Å; F102-K106 HydrophobicContact CD2-CG 3.94Å; F102-K106 HydrophobicContact CE1-CD 3.88Å; F102-K106 HydrophobicContact CE2-CD 3.85Å; F102-K106 HydrophobicContact CE2-CG 3.67Å; F102-K106 HydrophobicContact CG-CD 4.26Å; F102-K106 HydrophobicContact CZ-CD 3.77Å; F102-K106 HydrophobicContact CZ-CG 4.07Å; F102-K106 WeakPolarHBondContact O-CB 3.32Å; F102-K106 WeakPolarHBondContact O-CG 3.13Å; F102-K106 PolarHBondContact O-N 3.03Å; L104-K106 VanDerWaalsContact C-N 3.25Å; L104-K106 PolarHBondContact O-N 3.41Å; K106-S108 PolarHBondContact O-N 3.17Å
107	T	97.8	Very high	97.8	Very high	50 Å²	50	31.3 Å²	31.3	31%	0.307	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	9	176.3	64.9	0	0	0	0	112.6	L104 L105 Y109 R127 Q130	L104-T107 PolarHBondContact O-N 3.48Å; L104-T107 PolarHBondContact O-OG1 2.94Å; L105-T107 PolarHBondContact O-N 3.49Å; T107-Y109 PolarHBondContact O-N 3.2Å; T107-R127 PolarHBondContact O-NH2 3.18Å; T107-R127 VanDerWaalsContact O-NH2 3.12Å; T107-Q130 WeakPolarHBondContact O-CB 3.18Å; T107-Q130 VanDerWaalsContact O-CG 3.29Å; T107-Q130 WeakPolarHBondContact O-CG 3.38Å; T107-Q130 PolarHBondContact O-OE1 2.96Å; T107-Q130 VanDerWaalsContact O-OE1 3.12Å; T107-Q130 PolarHBondContact OG1-O 3.49Å
108	S	97.9	Very high	97.7	Very high	18 Å²	18	36.9 Å²	36.9	13%	0.126	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	43.6	-172.7	-66.9	0	0	0	0	110.9	L105 K106 R127 C266	L105-S108 PolarHBondContact O-N 3.26Å; L105-S108 VanDerWaalsContact O-N 3.1Å; K106-S108 PolarHBondContact O-N 3.17Å; S108-R127 VanDerWaalsContact CB-NH2 3.35Å; S108-R127 VanDerWaalsContact O-CZ 3.31Å; S108-R127 PolarHBondContact O-NE 3.4Å; S108-R127 PolarHBondContact O-NH2 2.98Å; S108-C266 VanDerWaalsContact CB-SG 3.58Å; S108-C266 WeakPolarHBondContact OG-CB 3.08Å
109	Y	98.5	Very high	97.6	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.027	22%	0.218	C	C	.	.			trans	-68.6	-36.1	179.4	167.9	-104.8	0	0	0	112.4	L104 T107 Y126 R127 I128 W131 V141 V144	L104-Y109 HydrophobicContact CD1-CD1 4.2Å; L104-Y109 HydrophobicContact CD1-CD2 4.07Å; L104-Y109 HydrophobicContact CD1-CG 3.72Å; L104-Y109 HydrophobicContact CD2-CD1 3.93Å; L104-Y109 HydrophobicContact CD2-CE1 4.29Å; L104-Y109 HydrophobicContact CD2-CG 4.31Å; L104-Y109 HydrophobicContact CG-CD1 3.93Å; L104-Y109 HydrophobicContact CG-CG 3.92Å; L104-Y109 WeakPolarHBondContact O-CB 3.19Å; T107-Y109 PolarHBondContact O-N 3.2Å; Y109-Y126 AromaticContact CE1-CD1 3.92Å; Y109-Y126 HydrophobicContact CE1-CD1 3.92Å; Y109-Y126 AromaticContact CZ-CD1 3.94Å; Y109-Y126 WeakPolarHBondContact O-CA 3.39Å; Y109-R127 WeakPolarHBondContact CD2-O 3.42Å; Y109-R127 PolarHBondContact O-N 3.16Å; Y109-I128 HydrophobicContact CE2-CD1 4.09Å; Y109-W131 HydrophobicContact CD2-CB 3.97Å; Y109-W131 HydrophobicContact CE2-CB 3.95Å; Y109-V141 HydrophobicContact CE1-CG1 3.83Å; Y109-V141 HydrophobicContact CE2-CG1 4.2Å; Y109-V141 VanDerWaalsContact CZ-CG1 3.43Å; Y109-V141 WeakPolarHBondContact OH-CG1 3.27Å; Y109-V144 HydrophobicContact CD1-CG1 4.4Å; Y109-V144 HydrophobicContact CE1-CB 4.42Å; Y109-V144 HydrophobicContact CE1-CG1 4.37Å
110	H	98.7	Very high	97.6	Very high	2 Å²	2	37 Å²	37	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137	-170	-179.7	48.5	0	0	0	112.4	I125 Y126 V144 T148 W269	H110-I125 WeakPolarHBondContact CA-O 3.49Å; H110-I125 PolarHBondContact ND1-O 2.98Å; H110-Y126 HydrophobicContact CB-CD1 4.33Å; H110-Y126 HydrophobicContact CB-CE1 4.49Å; H110-Y126 AromaticContact CE1-CE1 3.54Å; H110-Y126 AromaticContact CE1-CZ 3.51Å; H110-Y126 AromaticContact CG-CE1 3.8Å; H110-Y126 AromaticContact ND1-CD1 3.42Å; H110-Y126 WeakPolarHBondContact ND1-CD1 3.43Å; H110-Y126 AromaticContact ND1-CE1 3.21Å; H110-Y126 WeakPolarHBondContact ND1-CE1 3.4Å; H110-Y126 AromaticContact ND1-CG 4Å; H110-Y126 AromaticContact ND1-CZ 3.62Å; H110-V144 HydrophobicContact CB-CG1 3.76Å; H110-T148 PolarHBondContact CD2-OG1 3.41Å; H110-T148 WeakPolarHBondContact NE2-CG2 3.48Å; H110-T148 PolarHBondContact NE2-OG1 2.85Å; H110-W269 AromaticContact CD2-CD1 3.52Å; H110-W269 AromaticContact CD2-NE1 3.57Å; H110-W269 AromaticContact NE2-CD1 3.75Å; H110-W269 AromaticContact NE2-NE1 3.45Å; H110-W269 PolarHBondContact NE2-NE1 3.22Å
111	A	98.4	Very high	97.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152	176.2	0	0	0	0	0	111.1	L124 I125 I262 V265	A111-L124 WeakPolarHBondContact O-CA 3.48Å; A111-I125 HydrophobicContact CB-CB 4.33Å; A111-I125 PolarHBondContact N-O 3.32Å; A111-I125 PolarHBondContact O-N 3.16Å; A111-I262 HydrophobicContact CB-CD1 3.93Å; A111-V265 HydrophobicContact CB-CB 4.28Å; A111-V265 HydrophobicContact CB-CG1 3.8Å
112	V	98.8	Very high	97.7	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.036	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.6	162.5	-175.8	0	0	0	0	107.1	R122 V123 L124 T148 V265 W269	V112-R122 HydrophobicContact CG1-CG 3.82Å; V112-R122 VanDerWaalsContact CG1-NH2 3.28Å; V112-V123 WeakPolarHBondContact CA-O 3.39Å; V112-L124 HydrophobicContact CG2-CG 4.22Å; V112-T148 HydrophobicContact CG2-CG2 3.66Å; V112-V265 VanDerWaalsContact O-CG1 3.26Å; V112-V265 WeakPolarHBondContact O-CG1 3.33Å; V112-W269 HydrophobicContact CB-CD2 3.59Å; V112-W269 HydrophobicContact CB-CE3 3.65Å; V112-W269 HydrophobicContact CB-CG 4.05Å; V112-W269 HydrophobicContact CB-CH2 4.35Å; V112-W269 HydrophobicContact CB-CZ2 4.31Å; V112-W269 HydrophobicContact CB-CZ3 4.03Å; V112-W269 HydrophobicContact CG1-CE3 4.42Å; V112-W269 HydrophobicContact CG1-CZ3 4.35Å; V112-W269 HydrophobicContact CG2-CD2 3.44Å; V112-W269 VanDerWaalsContact CG2-CD2 3.44Å; V112-W269 HydrophobicContact CG2-CE3 3.96Å; V112-W269 HydrophobicContact CG2-CG 3.85Å; V112-W269 HydrophobicContact CG2-CH2 4.11Å; V112-W269 HydrophobicContact CG2-CZ2 3.63Å; V112-W269 HydrophobicContact CG2-CZ3 4.25Å
113	L	98.5	Very high	97.8	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.182	C	C	.	.			trans	-67.1	143.6	-173.6	-53.6	-174.3	0	0	0	110.1	Q115 R122 V123 I125 V250 L251 P252 V265	L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 3.08Å; L113-R122 VanDerWaalsContact O-CZ 3.29Å; L113-R122 PolarHBondContact O-NH1 3.43Å; L113-R122 PolarHBondContact O-NH2 3.46Å; L113-V123 HydrophobicContact CB-CB 4.24Å; L113-V123 HydrophobicContact CD1-CB 3.82Å; L113-V123 HydrophobicContact CD1-CG1 3.49Å; L113-V123 VanDerWaalsContact CD1-CG1 3.49Å; L113-V123 HydrophobicContact CG-CB 4.08Å; L113-V123 HydrophobicContact CG-CG1 4.07Å; L113-V123 PolarHBondContact N-O 2.86Å; L113-I125 HydrophobicContact CD1-CD1 4.11Å; L113-I125 HydrophobicContact CD1-CG1 4.45Å; L113-I125 HydrophobicContact CD2-CD1 3.74Å; L113-I125 HydrophobicContact CD2-CG1 4.12Å; L113-I125 HydrophobicContact CG-CD1 4.27Å; L113-I125 HydrophobicContact CG-CG1 4.35Å; L113-V250 HydrophobicContact CD1-CG1 4.07Å; L113-V250 VanDerWaalsContact CD1-O 3.26Å; L113-V250 WeakPolarHBondContact CD1-O 3.41Å; L113-L251 HydrophobicContact CD1-CD2 4.17Å; L113-P252 HydrophobicContact CD2-CG 3.91Å; L113-V265 HydrophobicContact CD2-CG1 3.95Å
114	P	97.1	Very high	97.8	Very high	65 Å²	65	31.3 Å²	31.3	42%	0.422	16%	0.164	S	C	.	.	S	Bend	trans	-62.2	-43.4	178.1	-6	13.3	0	0	0	111.3	R122 L260	P114-R122 PolarHBondContact O-NH1 3.21Å; P114-R122 VanDerWaalsContact O-NH1 3.14Å; P114-L260 HydrophobicContact CG-CD1 3.86Å
115	Q	97.8	Very high	97.9	Very high	69 Å²	69	31.3 Å²	31.3	32%	0.322	17%	0.165	S	C	.	.	S	Bend	trans	-77.5	148.2	179.7	-64.6	73.4	11.6	0	0	111.1	L113 V250	L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 3.08Å; Q115-V250 HydrophobicContact CB-CB 4.39Å; Q115-V250 HydrophobicContact CB-CG1 4.34Å; Q115-V250 HydrophobicContact CB-CG2 4.12Å
116	R	98.1	Very high	97.9	Very high	68 Å²	68	31.6 Å²	31.6	26%	0.257	17%	0.165	S	C	.	.			trans	-92	159.3	169	-69.2	170.8	178	-72.3	-9.8	109.1	G120 S121 E155 T158 V250	R116-G120 VanDerWaalsContact CD-O 3.28Å; R116-G120 WeakPolarHBondContact CD-O 3.32Å; R116-G120 PolarHBondContact NH1-O 3.35Å; R116-G120 VanDerWaalsContact NH1-O 3.1Å; R116-S121 WeakPolarHBondContact CA-O 3.25Å; R116-S121 WeakPolarHBondContact CB-O 3.39Å; R116-E155 IonicContact CZ-OE2 2.7Å; R116-E155 IonicContact NH2-OE2 3.41Å; R116-E155 PolarHBondContact NH2-OE2 3.41Å; R116-T158 PolarHBondContact NH1-OG1 2.89Å; R116-T158 PolarHBondContact NH2-OG1 3.04Å; R116-V250 VanDerWaalsContact O-CG2 3.26Å; R116-V250 WeakPolarHBondContact O-CG2 3.39Å
117	D	97.1	Very high	98	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.037	14%	0.143	C	C	.	.			trans	-67.8	174.6	172	79.8	-4.8	0	0	0	112.1	A119 G120 S121 V123 K164 F246	D117-A119 PolarHBondContact O-N 3.32Å; D117-A119 VanDerWaalsContact OD1-C 3.27Å; D117-A119 WeakPolarHBondContact OD1-CA 3.41Å; D117-A119 WeakPolarHBondContact OD1-CB 3.39Å; D117-A119 PolarHBondContact OD1-N 3.39Å; D117-G120 WeakPolarHBondContact O-CA 3.47Å; D117-G120 PolarHBondContact O-N 2.91Å; D117-G120 PolarHBondContact OD1-N 3.32Å; D117-S121 PolarHBondContact N-O 2.87Å; D117-S121 WeakPolarHBondContact OD1-CA 3.39Å; D117-S121 VanDerWaalsContact OD1-CB 3.28Å; D117-S121 WeakPolarHBondContact OD1-CB 3.12Å; D117-S121 PolarHBondContact OD1-N 3.23Å; D117-S121 PolarHBondContact OD1-OG 3.36Å; D117-S121 WeakPolarHBondContact OD2-CB 3.44Å; D117-S121 PolarHBondContact OD2-OG 3.16Å; D117-V123 HydrophobicContact CB-CG2 4.12Å; D117-K164 WeakPolarHBondContact OD2-CD 3.46Å; D117-K164 WeakPolarHBondContact OD2-CE 3.49Å; D117-K164 IonicContact OD2-NZ 2.82Å; D117-K164 PolarHBondContact OD2-NZ 3.44Å; D117-F246 HydrophobicContact CB-CD1 4.08Å; D117-F246 HydrophobicContact CB-CE1 4.47Å
118	H	95.2	Very high	98	Very high	130 Å²	130	24.6 Å²	24.6	60%	0.602	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.5	178.9	65.9	-94.2	0	0	0	114.1	F245	H118-F245 PolarHBondContact CE1-O 2.91Å; H118-F245 PolarHBondContact ND1-O 3.05Å
119	A	95.7	Very high	98	Very high	49 Å²	49	25.4 Å²	25.4	41%	0.405	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	5.1	176.7	0	0	0	0	0	112.6	D117 S121 R161	D117-A119 PolarHBondContact O-N 3.32Å; D117-A119 VanDerWaalsContact OD1-C 3.27Å; D117-A119 WeakPolarHBondContact OD1-CA 3.41Å; D117-A119 WeakPolarHBondContact OD1-CB 3.39Å; D117-A119 PolarHBondContact OD1-N 3.39Å; A119-S121 VanDerWaalsContact C-N 3.32Å; A119-R161 VanDerWaalsContact O-CD 3.31Å; A119-R161 WeakPolarHBondContact O-CD 3.48Å
120	G	97.3	Very high	97.9	Very high	16 Å²	16	28.6 Å²	28.6	17%	0.165	16%	0.157	C	C	.	.			trans	78	8.7	-178.6	0	0	0	0	0	114.9	R116 D117 R161	R116-G120 VanDerWaalsContact CD-O 3.28Å; R116-G120 WeakPolarHBondContact CD-O 3.32Å; R116-G120 PolarHBondContact NH1-O 3.35Å; R116-G120 VanDerWaalsContact NH1-O 3.1Å; D117-G120 WeakPolarHBondContact O-CA 3.47Å; D117-G120 PolarHBondContact O-N 2.91Å; D117-G120 PolarHBondContact OD1-N 3.32Å; G120-R161 VanDerWaalsContact C-CB 3.47Å; G120-R161 VanDerWaalsContact O-CB 3.31Å; G120-R161 WeakPolarHBondContact O-CB 3.45Å
121	S	98.3	Very high	97.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	16%	0.158	C	C	.	.			trans	-68.2	139	178.2	-46.7	0	0	0	0	110.7	R116 D117 A119 G162	R116-S121 WeakPolarHBondContact CA-O 3.25Å; R116-S121 WeakPolarHBondContact CB-O 3.39Å; D117-S121 PolarHBondContact N-O 2.87Å; D117-S121 WeakPolarHBondContact OD1-CA 3.39Å; D117-S121 VanDerWaalsContact OD1-CB 3.28Å; D117-S121 WeakPolarHBondContact OD1-CB 3.12Å; D117-S121 PolarHBondContact OD1-N 3.23Å; D117-S121 PolarHBondContact OD1-OG 3.36Å; D117-S121 WeakPolarHBondContact OD2-CB 3.44Å; D117-S121 PolarHBondContact OD2-OG 3.16Å; A119-S121 VanDerWaalsContact C-N 3.32Å; S121-G162 VanDerWaalsContact CA-O 3.32Å; S121-G162 WeakPolarHBondContact CA-O 3.42Å
122	R	98.6	Very high	97.9	Very high	25 Å²	25	32.2 Å²	32.2	9%	0.094	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	136.6	168.7	-159.4	71.7	175.6	122.3	9.3	109.4	V112 L113 P114 L124 I152 E155 T158 G162 L163 K164	V112-R122 HydrophobicContact CG1-CG 3.82Å; V112-R122 VanDerWaalsContact CG1-NH2 3.28Å; L113-R122 VanDerWaalsContact O-CZ 3.29Å; L113-R122 PolarHBondContact O-NH1 3.43Å; L113-R122 PolarHBondContact O-NH2 3.46Å; P114-R122 PolarHBondContact O-NH1 3.21Å; P114-R122 VanDerWaalsContact O-NH1 3.14Å; R122-L124 HydrophobicContact CB-CD1 4.49Å; R122-L124 HydrophobicContact CG-CD1 4.49Å; R122-I152 HydrophobicContact CG-CB 4.44Å; R122-I152 HydrophobicContact CG-CD1 4.33Å; R122-I152 HydrophobicContact CG-CG2 4.25Å; R122-E155 WeakPolarHBondContact CD-OE2 3.36Å; R122-E155 IonicContact NE-OE1 3.42Å; R122-E155 PolarHBondContact NE-OE1 3.36Å; R122-E155 IonicContact NE-OE2 2.61Å; R122-T158 HydrophobicContact CB-CG2 4.12Å; R122-G162 PolarHBondContact N-O 2.95Å; R122-L163 HydrophobicContact CB-CB 4.22Å; R122-L163 CarbonylContact O-C 3.6Å; R122-L163 WeakPolarHBondContact O-CA 3.25Å; R122-L163 WeakPolarHBondContact O-CB 3.47Å; R122-K164 PolarHBondContact O-N 2.97Å
123	V	98.8	Very high	97.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.9	-177.3	-171.8	0	0	0	0	110.3	V112 L113 D117 K164 I166 F246 V250	V112-V123 WeakPolarHBondContact CA-O 3.39Å; L113-V123 HydrophobicContact CB-CB 4.24Å; L113-V123 HydrophobicContact CD1-CB 3.82Å; L113-V123 HydrophobicContact CD1-CG1 3.49Å; L113-V123 VanDerWaalsContact CD1-CG1 3.49Å; L113-V123 HydrophobicContact CG-CB 4.08Å; L113-V123 HydrophobicContact CG-CG1 4.07Å; L113-V123 PolarHBondContact N-O 2.86Å; D117-V123 HydrophobicContact CB-CG2 4.12Å; V123-K164 WeakPolarHBondContact CA-O 3.29Å; V123-I166 HydrophobicContact CG1-CD1 4.25Å; V123-F246 HydrophobicContact CB-CE1 4.5Å; V123-F246 HydrophobicContact CG1-CD1 4.22Å; V123-F246 HydrophobicContact CG1-CE1 3.75Å; V123-F246 HydrophobicContact CG1-CZ 4.42Å; V123-F246 HydrophobicContact CG2-CD1 4.09Å; V123-F246 HydrophobicContact CG2-CE1 3.88Å; V123-V250 HydrophobicContact CG2-CG1 4.07Å
124	L	98.8	Very high	97.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144	-179.2	-62.2	78.1	0	0	0	109.2	A111 V112 R122 Y126 T148 I152 L163 K164 A165 I166	A111-L124 WeakPolarHBondContact O-CA 3.48Å; V112-L124 HydrophobicContact CG2-CG 4.22Å; R122-L124 HydrophobicContact CB-CD1 4.49Å; R122-L124 HydrophobicContact CG-CD1 4.49Å; L124-Y126 HydrophobicContact CB-CE2 4.06Å; L124-Y126 HydrophobicContact CD2-CE2 4.3Å; L124-T148 HydrophobicContact CD2-CG2 3.74Å; L124-I152 HydrophobicContact CD1-CD1 4.14Å; L124-I152 HydrophobicContact CD2-CD1 4.23Å; L124-L163 HydrophobicContact CD1-CB 3.77Å; L124-L163 HydrophobicContact CD1-CD1 4.09Å; L124-L163 HydrophobicContact CD1-CD2 4.3Å; L124-L163 HydrophobicContact CD1-CG 4.27Å; L124-K164 PolarHBondContact N-O 3.13Å; L124-A165 HydrophobicContact CB-CB 4.41Å; L124-A165 CarbonylContact O-C 3.56Å; L124-A165 WeakPolarHBondContact O-CA 3.38Å; L124-I166 PolarHBondContact O-N 3.44Å
125	I	98.9	Very high	97.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.2	173.2	-54.9	-169	0	0	0	109.5	H110 A111 L113 R127 I166 P252 Y255 I262	H110-I125 WeakPolarHBondContact CA-O 3.49Å; H110-I125 PolarHBondContact ND1-O 2.98Å; A111-I125 HydrophobicContact CB-CB 4.33Å; A111-I125 PolarHBondContact N-O 3.32Å; A111-I125 PolarHBondContact O-N 3.16Å; L113-I125 HydrophobicContact CD1-CD1 4.11Å; L113-I125 HydrophobicContact CD1-CG1 4.45Å; L113-I125 HydrophobicContact CD2-CD1 3.74Å; L113-I125 HydrophobicContact CD2-CG1 4.12Å; L113-I125 HydrophobicContact CG-CD1 4.27Å; L113-I125 HydrophobicContact CG-CG1 4.35Å; I125-R127 HydrophobicContact CG2-CG 4.39Å; I125-I166 CarbonylContact C-O 3.53Å; I125-I166 WeakPolarHBondContact CA-O 3.41Å; I125-I166 HydrophobicContact CD1-CD1 4.33Å; I125-I166 HydrophobicContact CG1-CB 4.23Å; I125-I166 HydrophobicContact CG1-CD1 4.27Å; I125-P252 HydrophobicContact CD1-CG 4.13Å; I125-Y255 HydrophobicContact CD1-CD2 3.89Å; I125-Y255 HydrophobicContact CD1-CE2 3.77Å; I125-Y255 HydrophobicContact CG2-CE1 4.48Å; I125-Y255 HydrophobicContact CG2-CE2 4.03Å; I125-Y255 WeakPolarHBondContact CG2-OH 3.31Å; I125-I262 HydrophobicContact CB-CD1 4.38Å; I125-I262 HydrophobicContact CD1-CD1 4.11Å; I125-I262 HydrophobicContact CG2-CD1 4.17Å
126	Y	98.8	Very high	97.7	Very high	8 Å²	8	42.5 Å²	42.5	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.3	173	-62.5	-86	0	0	0	109.4	Y109 H110 L124 S145 A165 I166 F167 D168	Y109-Y126 AromaticContact CE1-CD1 3.92Å; Y109-Y126 HydrophobicContact CE1-CD1 3.92Å; Y109-Y126 AromaticContact CZ-CD1 3.94Å; Y109-Y126 WeakPolarHBondContact O-CA 3.39Å; H110-Y126 HydrophobicContact CB-CD1 4.33Å; H110-Y126 HydrophobicContact CB-CE1 4.49Å; H110-Y126 AromaticContact CE1-CE1 3.54Å; H110-Y126 AromaticContact CE1-CZ 3.51Å; H110-Y126 AromaticContact CG-CE1 3.8Å; H110-Y126 AromaticContact ND1-CD1 3.42Å; H110-Y126 WeakPolarHBondContact ND1-CD1 3.43Å; H110-Y126 AromaticContact ND1-CE1 3.21Å; H110-Y126 WeakPolarHBondContact ND1-CE1 3.4Å; H110-Y126 AromaticContact ND1-CG 4Å; H110-Y126 AromaticContact ND1-CZ 3.62Å; L124-Y126 HydrophobicContact CB-CE2 4.06Å; L124-Y126 HydrophobicContact CD2-CE2 4.3Å; Y126-S145 WeakPolarHBondContact CE1-OG 3.31Å; Y126-S145 VanDerWaalsContact CZ-OG 3.29Å; Y126-S145 WeakPolarHBondContact OH-CB 3.46Å; Y126-S145 PolarHBondContact OH-OG 3.44Å; Y126-A165 HydrophobicContact CE2-CB 4.34Å; Y126-I166 PolarHBondContact N-O 3.13Å; Y126-F167 HydrophobicContact CD1-CE1 4.47Å; Y126-F167 AromaticContact CD2-CD1 3.88Å; Y126-F167 HydrophobicContact CD2-CD1 3.88Å; Y126-F167 AromaticContact CD2-CE1 3.47Å; Y126-F167 HydrophobicContact CD2-CE1 3.47Å; Y126-F167 VanDerWaalsContact CD2-CE1 3.47Å; Y126-F167 HydrophobicContact CD2-CE2 4.23Å; Y126-F167 HydrophobicContact CD2-CG 4.41Å; Y126-F167 AromaticContact CD2-CZ 3.67Å; Y126-F167 HydrophobicContact CD2-CZ 3.67Å; Y126-F167 HydrophobicContact CE2-CE1 4.08Å; Y126-F167 AromaticContact CE2-CZ 3.91Å; Y126-F167 HydrophobicContact CE2-CZ 3.91Å; Y126-F167 AromaticContact CG-CD1 3.94Å; Y126-F167 HydrophobicContact CG-CD1 3.94Å; Y126-F167 AromaticContact CG-CE1 3.69Å; Y126-F167 HydrophobicContact CG-CE1 3.69Å; Y126-F167 HydrophobicContact CG-CZ 4.35Å; Y126-F167 WeakPolarHBondContact O-CA 3.37Å; Y126-D168 PolarHBondContact O-N 3.12Å
127	R	98.6	Very high	97.6	Very high	32 Å²	32	41 Å²	41	12%	0.121	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	96.7	179.9	-52.6	-162.3	-45.1	178.4	7.8	110.4	T107 S108 Y109 I125 G129 Q130	T107-R127 PolarHBondContact O-NH2 3.18Å; T107-R127 VanDerWaalsContact O-NH2 3.12Å; S108-R127 VanDerWaalsContact CB-NH2 3.35Å; S108-R127 VanDerWaalsContact O-CZ 3.31Å; S108-R127 PolarHBondContact O-NE 3.4Å; S108-R127 PolarHBondContact O-NH2 2.98Å; Y109-R127 WeakPolarHBondContact CD2-O 3.42Å; Y109-R127 PolarHBondContact O-N 3.16Å; I125-R127 HydrophobicContact CG2-CG 4.39Å; R127-G129 VanDerWaalsContact C-N 3.31Å; R127-G129 PolarHBondContact O-N 3.25Å; R127-Q130 HydrophobicContact CB-CB 4.43Å; R127-Q130 HydrophobicContact CB-CG 3.77Å; R127-Q130 VanDerWaalsContact NH2-CG 3.25Å; R127-Q130 WeakPolarHBondContact O-CB 3.5Å; R127-Q130 PolarHBondContact O-N 3.32Å; R127-Q130 VanDerWaalsContact O-N 3.07Å
128	I	97.9	Very high	97.5	Very high	9 Å²	9	41 Å²	41	5%	0.046	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-66.2	-32.6	-170.5	-57.3	-54.8	0	0	0	112.7	Y109 Q130 W131 F167 D168 L169 W172	Y109-I128 HydrophobicContact CE2-CD1 4.09Å; I128-Q130 PolarHBondContact O-N 3.08Å; I128-W131 HydrophobicContact CG2-CE3 4.07Å; I128-W131 WeakPolarHBondContact O-CB 3.19Å; I128-W131 PolarHBondContact O-N 3.21Å; I128-F167 HydrophobicContact CD1-CD1 4.4Å; I128-D168 PolarHBondContact N-O 2.96Å; I128-L169 HydrophobicContact CB-CD2 4.25Å; I128-L169 HydrophobicContact CG1-CD2 3.43Å; I128-L169 VanDerWaalsContact CG1-CD2 3.43Å; I128-W172 HydrophobicContact CG2-CE3 3.61Å; I128-W172 HydrophobicContact CG2-CZ3 4.08Å
129	G	97.3	Very high	97.5	Very high	35 Å²	35	37 Å²	37	36%	0.361	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-60.3	-13	175.1	0	0	0	0	0	115.2	R127 K170	R127-G129 VanDerWaalsContact C-N 3.31Å; R127-G129 PolarHBondContact O-N 3.25Å; G129-K170 WeakPolarHBondContact CA-O 3.25Å; G129-K170 PolarHBondContact N-O 2.95Å
130	Q	98.1	Very high	97.5	Very high	74 Å²	74	37 Å²	37	35%	0.346	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-93.5	-8.3	177.6	-55.2	-55.9	-34.6	0	0	113.7	T107 R127 I128	T107-Q130 WeakPolarHBondContact O-CB 3.18Å; T107-Q130 VanDerWaalsContact O-CG 3.29Å; T107-Q130 WeakPolarHBondContact O-CG 3.38Å; T107-Q130 PolarHBondContact O-OE1 2.96Å; T107-Q130 VanDerWaalsContact O-OE1 3.12Å; T107-Q130 PolarHBondContact OG1-O 3.49Å; R127-Q130 HydrophobicContact CB-CB 4.43Å; R127-Q130 HydrophobicContact CB-CG 3.77Å; R127-Q130 VanDerWaalsContact NH2-CG 3.25Å; R127-Q130 WeakPolarHBondContact O-CB 3.5Å; R127-Q130 PolarHBondContact O-N 3.32Å; R127-Q130 VanDerWaalsContact O-N 3.07Å; I128-Q130 PolarHBondContact O-N 3.08Å
131	W	97.9	Very high	97.4	Very high	12 Å²	12	36.6 Å²	36.6	5%	0.045	19%	0.185	C	C	.	.			trans	-87.3	118.3	170.7	165.4	27.6	0	0	0	108.3	L104 Y109 I128 P133 W136 A138 V141 H176 Q179 I180	L104-W131 HydrophobicContact CD1-CB 4.16Å; Y109-W131 HydrophobicContact CD2-CB 3.97Å; Y109-W131 HydrophobicContact CE2-CB 3.95Å; I128-W131 HydrophobicContact CG2-CE3 4.07Å; I128-W131 WeakPolarHBondContact O-CB 3.19Å; I128-W131 PolarHBondContact O-N 3.21Å; W131-P133 HydrophobicContact CZ2-CB 4.32Å; W131-P133 WeakPolarHBondContact O-CD 3.28Å; W131-W136 PolarHBondContact NE1-O 2.92Å; W131-A138 HydrophobicContact CH2-CB 3.76Å; W131-A138 HydrophobicContact CZ2-CB 3.86Å; W131-V141 HydrophobicContact CD2-CG1 4.47Å; W131-V141 HydrophobicContact CD2-CG2 3.73Å; W131-V141 HydrophobicContact CE3-CG1 4.46Å; W131-V141 HydrophobicContact CE3-CG2 4.45Å; W131-V141 HydrophobicContact CG-CG2 3.77Å; W131-V141 HydrophobicContact CZ2-CG2 4.18Å; W131-H176 AromaticContact CD2-CD2 3.61Å; W131-H176 AromaticContact CE3-CD2 3.48Å; W131-H176 VanDerWaalsContact CE3-CD2 3.48Å; W131-H176 HydrophobicContact CZ3-CB 4.27Å; W131-H176 AromaticContact CZ3-CD2 3.81Å; W131-H176 PolarHBondContact O-NE2 3.46Å; W131-Q179 HydrophobicContact CH2-CB 3.96Å; W131-Q179 HydrophobicContact CH2-CG 4.32Å; W131-Q179 HydrophobicContact CZ2-CB 3.97Å; W131-Q179 HydrophobicContact CZ2-CG 3.9Å; W131-I180 HydrophobicContact CH2-CD1 4.44Å
132	N	97.8	Very high	97.3	Very high	65 Å²	65	37.7 Å²	37.7	35%	0.348	19%	0.189	S	C	.	.			trans	-89.7	114	166.7	-176.5	-1.7	0	0	0	109.6	K134 D135 W136	N132-K134 PolarHBondContact O-N 2.65Å; N132-K134 VanDerWaalsContact O-N 3.15Å; N132-K134 WeakPolarHBondContact OD1-CB 3.42Å; N132-K134 PolarHBondContact OD1-N 3.16Å; N132-K134 VanDerWaalsContact OD1-N 3.12Å; N132-D135 HydrophobicContact CB-CB 4.31Å; N132-D135 WeakPolarHBondContact CB-OD2 3.26Å; N132-D135 VanDerWaalsContact ND2-CG 3.29Å; N132-D135 PolarHBondContact ND2-OD2 2.76Å; N132-D135 PolarHBondContact O-N 2.93Å; N132-D135 VanDerWaalsContact O-N 3.1Å; N132-W136 PolarHBondContact O-N 3.15Å
133	P	96.7	Very high	97.2	Very high	21 Å²	21	38.3 Å²	38.3	14%	0.136	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-7.1	-176.1	29.9	-34.9	0	0	0	113.6	W131 Q179	W131-P133 HydrophobicContact CZ2-CB 4.32Å; W131-P133 WeakPolarHBondContact O-CD 3.28Å; P133-Q179 HydrophobicContact CB-CG 4.01Å; P133-Q179 PolarHBondContact O-NE2 2.91Å
134	K	96.5	Very high	97.2	Very high	188 Å²	188	38.3 Å²	38.3	82%	0.817	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-31	171	-63.6	-177.9	179	179.3	0	112.6	N132	N132-K134 PolarHBondContact O-N 2.65Å; N132-K134 VanDerWaalsContact O-N 3.15Å; N132-K134 WeakPolarHBondContact OD1-CB 3.42Å; N132-K134 PolarHBondContact OD1-N 3.16Å; N132-K134 VanDerWaalsContact OD1-N 3.12Å
135	D	97.3	Very high	97.1	Very high	102 Å²	102	38.9 Å²	38.9	55%	0.545	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-32	-175.6	-56.2	-24.5	0	0	0	111.2	N132	N132-D135 HydrophobicContact CB-CB 4.31Å; N132-D135 WeakPolarHBondContact CB-OD2 3.26Å; N132-D135 VanDerWaalsContact ND2-CG 3.29Å; N132-D135 PolarHBondContact ND2-OD2 2.76Å; N132-D135 PolarHBondContact O-N 2.93Å; N132-D135 VanDerWaalsContact O-N 3.1Å
136	W	97.2	Very high	97.1	Very high	47 Å²	47	39 Å²	39	18%	0.178	20%	0.197	C	C	.	.	S	Bend	trans	-129.5	126.3	-174.4	-55.1	98.5	0	0	0	111.4	S100 V101 L104 W131 N132 Q140 V141	S100-W136 WeakPolarHBondContact O-CZ3 3.28Å; V101-W136 HydrophobicContact CB-CZ3 4.44Å; V101-W136 HydrophobicContact CG1-CZ3 4.29Å; L104-W136 HydrophobicContact CB-CD2 4.04Å; L104-W136 HydrophobicContact CB-CG 4.27Å; L104-W136 HydrophobicContact CB-CZ2 4.28Å; W131-W136 PolarHBondContact NE1-O 2.92Å; N132-W136 PolarHBondContact O-N 3.15Å; W136-Q140 HydrophobicContact CE3-CB 4.32Å; W136-V141 HydrophobicContact CB-CG2 4.18Å
137	S	96.4	Very high	97.1	Very high	36 Å²	36	38.7 Å²	38.7	25%	0.252	20%	0.195	S	C	.	.			trans	-70.8	154.7	170.2	65.6	0	0	0	0	111.4	F139 Q140 V141	S137-F139 PolarHBondContact O-N 2.97Å; S137-Q140 PolarHBondContact O-N 2.84Å; S137-Q140 VanDerWaalsContact O-N 3.09Å; S137-Q140 WeakPolarHBondContact OG-CG 3.19Å; S137-Q140 PolarHBondContact OG-N 3.46Å; S137-Q140 PolarHBondContact OG-OE1 2.83Å; S137-V141 WeakPolarHBondContact O-CG2 3.36Å; S137-V141 PolarHBondContact O-N 2.93Å
138	A	95.7	Very high	97.1	Very high	6 Å²	6	37.1 Å²	37.1	5%	0.05	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-24.7	176.1	0	0	0	0	0	113.5	W131 F142 Q179 I180 L184	W131-A138 HydrophobicContact CH2-CB 3.76Å; W131-A138 HydrophobicContact CZ2-CB 3.86Å; A138-F142 WeakPolarHBondContact O-CB 3.28Å; A138-F142 PolarHBondContact O-N 3.48Å; A138-Q179 HydrophobicContact CB-CB 3.79Å; A138-I180 HydrophobicContact CB-CD1 4.14Å; A138-L184 HydrophobicContact CB-CD2 3.32Å
139	F	94.9	Very high	97.1	Very high	46 Å²	46	37.3 Å²	37.3	20%	0.202	19%	0.191	C	C	.	.	H	α-helix	trans	-65.5	-45.5	171.5	-65.3	-73.4	0	0	0	111.9	E91 I92 S137 V141 F142 R143 L184 K187	E91-F139 HydrophobicContact CG-CB 4.21Å; E91-F139 HydrophobicContact CG-CD1 3.46Å; E91-F139 VanDerWaalsContact CG-CD1 3.46Å; E91-F139 HydrophobicContact CG-CD2 4.45Å; E91-F139 HydrophobicContact CG-CE1 3.85Å; E91-F139 HydrophobicContact CG-CG 3.8Å; E91-F139 HydrophobicContact CG-CZ 4.48Å; E91-F139 WeakPolarHBondContact OE1-CE1 3.16Å; I92-F139 HydrophobicContact CD1-CD1 3.85Å; I92-F139 HydrophobicContact CD1-CE1 4.45Å; I92-F139 HydrophobicContact CG1-CB 4.29Å; I92-F139 HydrophobicContact CG1-CD1 3.87Å; S137-F139 PolarHBondContact O-N 2.97Å; F139-V141 VanDerWaalsContact C-N 3.34Å; F139-F142 PolarHBondContact O-N 3.49Å; F139-R143 WeakPolarHBondContact O-CG 3.38Å; F139-R143 PolarHBondContact O-N 2.93Å; F139-R143 VanDerWaalsContact O-N 3.1Å; F139-L184 HydrophobicContact CD1-CD1 3.96Å; F139-L184 HydrophobicContact CE1-CB 4.4Å; F139-L184 HydrophobicContact CE1-CD1 3.88Å; F139-L184 HydrophobicContact CZ-CB 4.43Å; F139-K187 HydrophobicContact CE1-CD 4.34Å
140	Q	95.2	Very high	97.1	Very high	50 Å²	50	35.8 Å²	35.8	23%	0.234	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-41.2	175.5	-72.6	164.3	-62.7	0	0	111.6	V101 W136 S137 F142 R143	V101-Q140 HydrophobicContact CG1-CB 4.31Å; W136-Q140 HydrophobicContact CE3-CB 4.32Å; S137-Q140 PolarHBondContact O-N 2.84Å; S137-Q140 VanDerWaalsContact O-N 3.09Å; S137-Q140 WeakPolarHBondContact OG-CG 3.19Å; S137-Q140 PolarHBondContact OG-N 3.46Å; S137-Q140 PolarHBondContact OG-OE1 2.83Å; Q140-F142 VanDerWaalsContact C-N 3.28Å; Q140-F142 PolarHBondContact O-N 3.19Å; Q140-R143 WeakPolarHBondContact O-CB 3.38Å; Q140-R143 PolarHBondContact O-N 3.44Å
141	V	96.4	Very high	97.1	Very high	8 Å²	8	33 Å²	33	5%	0.048	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-41.9	174.1	174.2	0	0	0	0	110.9	L104 Y109 W131 W136 S137 F139 R143 V144	L104-V141 HydrophobicContact CD2-CB 4.38Å; L104-V141 HydrophobicContact CD2-CG2 3.8Å; Y109-V141 HydrophobicContact CE1-CG1 3.83Å; Y109-V141 HydrophobicContact CE2-CG1 4.2Å; Y109-V141 VanDerWaalsContact CZ-CG1 3.43Å; Y109-V141 WeakPolarHBondContact OH-CG1 3.27Å; W131-V141 HydrophobicContact CD2-CG1 4.47Å; W131-V141 HydrophobicContact CD2-CG2 3.73Å; W131-V141 HydrophobicContact CE3-CG1 4.46Å; W131-V141 HydrophobicContact CE3-CG2 4.45Å; W131-V141 HydrophobicContact CG-CG2 3.77Å; W131-V141 HydrophobicContact CZ2-CG2 4.18Å; W136-V141 HydrophobicContact CB-CG2 4.18Å; S137-V141 WeakPolarHBondContact O-CG2 3.36Å; S137-V141 PolarHBondContact O-N 2.93Å; F139-V141 VanDerWaalsContact C-N 3.34Å; V141-R143 VanDerWaalsContact C-N 3.27Å; V141-R143 PolarHBondContact O-N 2.96Å; V141-V144 VanDerWaalsContact O-CB 3.31Å; V141-V144 WeakPolarHBondContact O-CB 2.99Å; V141-V144 PolarHBondContact O-N 2.91Å; V141-V144 VanDerWaalsContact O-N 3.1Å
142	F	95.9	Very high	97.2	Very high	24 Å²	24	32.5 Å²	32.5	11%	0.105	16%	0.16	C	C	.	.	H	α-helix	trans	-69.6	-24.4	-179.8	-164.4	-155.4	0	0	0	113.1	W85 I92 A138 F139 Q140 V144 S145 L146 L184 K187 I188 V191	W85-F142 AromaticContact CZ2-CE1 3.93Å; W85-F142 HydrophobicContact CZ2-CE1 3.93Å; W85-F142 HydrophobicContact CZ2-CZ 4.48Å; I92-F142 HydrophobicContact CD1-CD1 3.53Å; I92-F142 HydrophobicContact CD1-CE1 4.1Å; I92-F142 HydrophobicContact CG1-CD1 4.34Å; I92-F142 HydrophobicContact CG2-CD1 4.42Å; A138-F142 WeakPolarHBondContact O-CB 3.28Å; A138-F142 PolarHBondContact O-N 3.48Å; F139-F142 PolarHBondContact O-N 3.49Å; Q140-F142 VanDerWaalsContact C-N 3.28Å; Q140-F142 PolarHBondContact O-N 3.19Å; F142-V144 PolarHBondContact O-N 3.38Å; F142-S145 WeakPolarHBondContact O-CB 3.42Å; F142-S145 PolarHBondContact O-N 2.94Å; F142-S145 VanDerWaalsContact O-N 3.16Å; F142-L146 PolarHBondContact O-N 2.94Å; F142-L184 HydrophobicContact CD1-CD1 4.14Å; F142-K187 HydrophobicContact CE1-CB 4.49Å; F142-I188 HydrophobicContact CD1-CG1 4.19Å; F142-I188 HydrophobicContact CE1-CG1 3.87Å; F142-I188 HydrophobicContact CE2-CG1 4.38Å; F142-I188 HydrophobicContact CZ-CB 4.4Å; F142-I188 HydrophobicContact CZ-CG1 3.98Å; F142-V191 HydrophobicContact CE1-CG2 4.41Å; F142-V191 HydrophobicContact CZ-CB 4.04Å; F142-V191 HydrophobicContact CZ-CG1 4.34Å; F142-V191 HydrophobicContact CZ-CG2 3.89Å
143	R	96.2	Very high	97.2	Very high	39 Å²	39	29.4 Å²	29.4	15%	0.147	14%	0.144	C	C	.	.	H	α-helix	trans	-59.3	-33.2	169.8	-64.6	172.9	-171.2	170.1	2	112.2	E91 I92 C95 F139 Q140 V141 S145 L146 M147	E91-R143 PolarHBondContact O-NE 3.33Å; E91-R143 PolarHBondContact O-NH2 2.81Å; I92-R143 HydrophobicContact CB-CG 4.47Å; I92-R143 HydrophobicContact CG2-CG 3.97Å; C95-R143 WeakPolarHBondContact O-CD 3.37Å; F139-R143 WeakPolarHBondContact O-CG 3.38Å; F139-R143 PolarHBondContact O-N 2.93Å; F139-R143 VanDerWaalsContact O-N 3.1Å; Q140-R143 WeakPolarHBondContact O-CB 3.38Å; Q140-R143 PolarHBondContact O-N 3.44Å; V141-R143 VanDerWaalsContact C-N 3.27Å; V141-R143 PolarHBondContact O-N 2.96Å; R143-S145 VanDerWaalsContact C-N 3.34Å; R143-S145 PolarHBondContact O-N 3.21Å; R143-L146 PolarHBondContact O-N 2.68Å; R143-M147 WeakPolarHBondContact O-CB 3.38Å; R143-M147 VanDerWaalsContact O-CG 3.31Å; R143-M147 WeakPolarHBondContact O-CG 3.26Å; R143-M147 PolarHBondContact O-N 3.35Å
144	V	98.3	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.8	-45.7	175.5	178.8	0	0	0	0	110.6	V101 L104 L105 Y109 H110 V141 F142 T148	V101-V144 HydrophobicContact CB-CG2 4.34Å; V101-V144 HydrophobicContact CG2-CG2 3.95Å; L104-V144 HydrophobicContact CD2-CG2 4.01Å; L105-V144 HydrophobicContact CD2-CG1 3.92Å; L105-V144 HydrophobicContact CD2-CG2 4.26Å; Y109-V144 HydrophobicContact CD1-CG1 4.4Å; Y109-V144 HydrophobicContact CE1-CB 4.42Å; Y109-V144 HydrophobicContact CE1-CG1 4.37Å; H110-V144 HydrophobicContact CB-CG1 3.76Å; V141-V144 VanDerWaalsContact O-CB 3.31Å; V141-V144 WeakPolarHBondContact O-CB 2.99Å; V141-V144 PolarHBondContact O-N 2.91Å; V141-V144 VanDerWaalsContact O-N 3.1Å; F142-V144 PolarHBondContact O-N 3.38Å; V144-T148 WeakPolarHBondContact O-CB 3.46Å; V144-T148 PolarHBondContact O-N 3.48Å; V144-T148 PolarHBondContact O-OG1 2.96Å
145	S	97.9	Very high	97.2	Very high	13 Å²	13	25.2 Å²	25.2	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-64.8	-39.8	175.6	-58.4	0	0	0	0	112.1	Y126 F142 R143 S149	Y126-S145 WeakPolarHBondContact CE1-OG 3.31Å; Y126-S145 VanDerWaalsContact CZ-OG 3.29Å; Y126-S145 WeakPolarHBondContact OH-CB 3.46Å; Y126-S145 PolarHBondContact OH-OG 3.44Å; F142-S145 WeakPolarHBondContact O-CB 3.42Å; F142-S145 PolarHBondContact O-N 2.94Å; F142-S145 VanDerWaalsContact O-N 3.16Å; R143-S145 VanDerWaalsContact C-N 3.34Å; R143-S145 PolarHBondContact O-N 3.21Å; S145-S149 VanDerWaalsContact O-CB 3.26Å; S145-S149 WeakPolarHBondContact O-CB 3.45Å; S145-S149 PolarHBondContact O-N 3.17Å; S145-S149 PolarHBondContact O-OG 2.93Å
146	L	97.8	Very high	97.1	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.026	11%	0.109	C	C	.	.	H	α-helix	trans	-66.7	-48.5	178.5	-177.5	60.4	0	0	0	111.7	W85 I92 L96 F142 R143 T148 S149 E150 F196	W85-L146 HydrophobicContact CH2-CD1 4.37Å; W85-L146 HydrophobicContact CH2-CD2 3.9Å; W85-L146 HydrophobicContact CZ3-CD1 4.15Å; W85-L146 HydrophobicContact CZ3-CD2 3.8Å; I92-L146 HydrophobicContact CG2-CB 4.31Å; I92-L146 HydrophobicContact CG2-CD2 3.77Å; L96-L146 HydrophobicContact CD2-CB 4.38Å; L96-L146 HydrophobicContact CD2-CD2 3.66Å; L96-L146 HydrophobicContact CD2-CG 3.95Å; F142-L146 PolarHBondContact O-N 2.94Å; R143-L146 PolarHBondContact O-N 2.68Å; L146-T148 VanDerWaalsContact C-N 3.29Å; L146-T148 PolarHBondContact O-N 3.21Å; L146-S149 WeakPolarHBondContact O-CB 3.36Å; L146-S149 PolarHBondContact O-N 3.13Å; L146-S149 VanDerWaalsContact O-N 3.09Å; L146-E150 HydrophobicContact CD1-CG 4.41Å; L146-E150 WeakPolarHBondContact O-CG 3.22Å; L146-E150 PolarHBondContact O-N 2.97Å; L146-F196 HydrophobicContact CD1-CD2 3.98Å; L146-F196 HydrophobicContact CD1-CE2 3.54Å; L146-F196 HydrophobicContact CD1-CZ 4.48Å
147	M	98.6	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.3	-45.4	175.6	-71.1	-173.5	-65.3	0	0	111.5	L96 S97 V101 R143 S149 E150 I151 L273 L280	L96-M147 HydrophobicContact CB-CG 3.93Å; L96-M147 HydrophobicContact CD2-CG 3.94Å; L96-M147 HydrophobicContact CG-CG 4.48Å; S97-M147 VanDerWaalsContact C-SD 3.5Å; S97-M147 PolarHBondContact N-SD 3.03Å; S97-M147 VanDerWaalsContact N-SD 3.39Å; V101-M147 HydrophobicContact CG2-CE 3.6Å; R143-M147 WeakPolarHBondContact O-CB 3.38Å; R143-M147 VanDerWaalsContact O-CG 3.31Å; R143-M147 WeakPolarHBondContact O-CG 3.26Å; R143-M147 PolarHBondContact O-N 3.35Å; M147-S149 VanDerWaalsContact C-N 3.34Å; M147-S149 PolarHBondContact O-N 3.12Å; M147-E150 PolarHBondContact O-N 3.38Å; M147-I151 WeakPolarHBondContact O-CG1 3.33Å; M147-I151 PolarHBondContact O-N 3.36Å; M147-I151 VanDerWaalsContact O-N 3.17Å; M147-L273 HydrophobicContact CB-CD2 3.89Å; M147-L280 HydrophobicContact CB-CD1 3.99Å; M147-L280 HydrophobicContact CB-CD2 3.97Å; M147-L280 HydrophobicContact CG-CD1 4.01Å; M147-L280 HydrophobicContact CG-CD2 4.11Å; M147-L280 HydrophobicContact SD-CD1 3.96Å
148	T	98.8	Very high	97.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.8	-45.2	175.9	-65	0	0	0	0	111.5	H110 V112 L124 V144 L146 E150 I151 I152 W269	H110-T148 PolarHBondContact CD2-OG1 3.41Å; H110-T148 WeakPolarHBondContact NE2-CG2 3.48Å; H110-T148 PolarHBondContact NE2-OG1 2.85Å; V112-T148 HydrophobicContact CG2-CG2 3.66Å; L124-T148 HydrophobicContact CD2-CG2 3.74Å; V144-T148 WeakPolarHBondContact O-CB 3.46Å; V144-T148 PolarHBondContact O-N 3.48Å; V144-T148 PolarHBondContact O-OG1 2.96Å; L146-T148 VanDerWaalsContact C-N 3.29Å; L146-T148 PolarHBondContact O-N 3.21Å; T148-E150 VanDerWaalsContact C-N 3.35Å; T148-E150 PolarHBondContact O-N 3.03Å; T148-I151 PolarHBondContact O-N 3.09Å; T148-I152 HydrophobicContact CG2-CD1 4.41Å; T148-I152 HydrophobicContact CG2-CG2 4.34Å; T148-I152 WeakPolarHBondContact O-CG1 3.31Å; T148-I152 WeakPolarHBondContact O-CG2 3.49Å; T148-I152 PolarHBondContact O-N 3.47Å; T148-W269 HydrophobicContact CG2-CZ2 3.69Å; T148-W269 PolarHBondContact OG1-NE1 2.94Å
149	S	98.3	Very high	97.4	Very high	12 Å²	12	21.7 Å²	21.7	8%	0.084	10%	0.103	C	C	.	.	H	α-helix	trans	-63	-40.2	179.7	-60.2	0	0	0	0	111.9	S145 L146 M147 I151 S153 F196	S145-S149 VanDerWaalsContact O-CB 3.26Å; S145-S149 WeakPolarHBondContact O-CB 3.45Å; S145-S149 PolarHBondContact O-N 3.17Å; S145-S149 PolarHBondContact O-OG 2.93Å; L146-S149 WeakPolarHBondContact O-CB 3.36Å; L146-S149 PolarHBondContact O-N 3.13Å; L146-S149 VanDerWaalsContact O-N 3.09Å; M147-S149 VanDerWaalsContact C-N 3.34Å; M147-S149 PolarHBondContact O-N 3.12Å; S149-I151 PolarHBondContact O-N 2.87Å; S149-S153 WeakPolarHBondContact O-CB 3.48Å; S149-S153 PolarHBondContact O-N 3.14Å; S149-S153 PolarHBondContact O-OG 3.18Å; S149-F196 VanDerWaalsContact C-CZ 3.48Å; S149-F196 VanDerWaalsContact CB-CE1 3.45Å; S149-F196 WeakPolarHBondContact O-CE1 3.47Å
150	E	97.9	Very high	97.5	Very high	3 Å²	3	21 Å²	21	1%	0.014	10%	0.099	C	C	.	.	H	α-helix	trans	-60.5	-43.2	175.3	-71.5	-67.9	179.1	0	0	111.7	Y82 R86 L96 L146 M147 T148 S153 R154 F196 L280 I283	Y82-E150 PolarHBondContact OH-OE1 2.86Å; R86-E150 IonicContact NH1-OE1 2.88Å; L96-E150 HydrophobicContact CD1-CG 4.2Å; L146-E150 HydrophobicContact CD1-CG 4.41Å; L146-E150 WeakPolarHBondContact O-CG 3.22Å; L146-E150 PolarHBondContact O-N 2.97Å; M147-E150 PolarHBondContact O-N 3.38Å; T148-E150 VanDerWaalsContact C-N 3.35Å; T148-E150 PolarHBondContact O-N 3.03Å; E150-S153 PolarHBondContact O-OG 3.47Å; E150-R154 WeakPolarHBondContact O-CG 3.36Å; E150-F196 HydrophobicContact CG-CE2 4.37Å; E150-F196 HydrophobicContact CG-CZ 4.21Å; E150-L280 HydrophobicContact CB-CD2 4.09Å; E150-I283 HydrophobicContact CB-CD1 4.17Å; E150-I283 HydrophobicContact CG-CG2 4.16Å
151	I	98.3	Very high	97.6	Very high	17 Å²	17	22.6 Å²	22.6	9%	0.087	10%	0.103	C	C	.	.	H	α-helix	trans	-67.4	-58.1	177.5	-64.8	171.1	0	0	0	110.7	M147 T148 S149 S153 R154 W269 L273 L280	M147-I151 WeakPolarHBondContact O-CG1 3.33Å; M147-I151 PolarHBondContact O-N 3.36Å; M147-I151 VanDerWaalsContact O-N 3.17Å; T148-I151 PolarHBondContact O-N 3.09Å; S149-I151 PolarHBondContact O-N 2.87Å; I151-S153 PolarHBondContact O-N 3.29Å; I151-R154 VanDerWaalsContact O-CB 3.31Å; I151-R154 WeakPolarHBondContact O-CB 3.26Å; I151-R154 PolarHBondContact O-N 3.22Å; I151-W269 HydrophobicContact CB-CH2 4.42Å; I151-W269 HydrophobicContact CG2-CH2 3.91Å; I151-L273 HydrophobicContact CD1-CD2 3.71Å; I151-L280 HydrophobicContact CD1-CD1 4.29Å; I151-L280 HydrophobicContact CG1-CD2 4.25Å
152	I	98.5	Very high	97.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.1	-23.5	-172.5	71.1	179.5	0	0	0	112.5	R122 L124 T148 R154 E155 T158 L163 L198 W269	R122-I152 HydrophobicContact CG-CB 4.44Å; R122-I152 HydrophobicContact CG-CD1 4.33Å; R122-I152 HydrophobicContact CG-CG2 4.25Å; L124-I152 HydrophobicContact CD1-CD1 4.14Å; L124-I152 HydrophobicContact CD2-CD1 4.23Å; T148-I152 HydrophobicContact CG2-CD1 4.41Å; T148-I152 HydrophobicContact CG2-CG2 4.34Å; T148-I152 WeakPolarHBondContact O-CG1 3.31Å; T148-I152 WeakPolarHBondContact O-CG2 3.49Å; T148-I152 PolarHBondContact O-N 3.47Å; I152-R154 PolarHBondContact O-N 3.36Å; I152-E155 WeakPolarHBondContact O-CB 3.31Å; I152-E155 PolarHBondContact O-N 3.05Å; I152-E155 VanDerWaalsContact O-N 3.12Å; I152-T158 HydrophobicContact CB-CG2 4.23Å; I152-T158 HydrophobicContact CD1-CG2 4.35Å; I152-T158 HydrophobicContact CG1-CG2 4.13Å; I152-T158 VanDerWaalsContact O-CB 3.27Å; I152-T158 WeakPolarHBondContact O-CB 3.45Å; I152-T158 WeakPolarHBondContact O-CG2 3.35Å; I152-L163 HydrophobicContact CD1-CD2 3.96Å; I152-L198 HydrophobicContact CD1-CD1 4.16Å; I152-L198 HydrophobicContact CG1-CD1 4.06Å; I152-L198 HydrophobicContact CG1-CD2 4.38Å; I152-W269 HydrophobicContact CG2-CH2 3.75Å; I152-W269 HydrophobicContact CG2-CZ2 4.14Å
153	S	97.5	Very high	97.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.1	174.9	74.4	0	0	0	0	113.4	S149 E150 I151 E155 Q159	S149-S153 WeakPolarHBondContact O-CB 3.48Å; S149-S153 PolarHBondContact O-N 3.14Å; S149-S153 PolarHBondContact O-OG 3.18Å; E150-S153 PolarHBondContact O-OG 3.47Å; I151-S153 PolarHBondContact O-N 3.29Å; S153-E155 VanDerWaalsContact C-N 3.34Å; S153-Q159 WeakPolarHBondContact O-CG 3.26Å; S153-Q159 PolarHBondContact O-NE2 2.9Å
154	R	95.8	Very high	97.9	Very high	69 Å²	69	20.6 Å²	20.6	26%	0.26	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-16.1	176.2	-58.2	172.6	68	92.5	9.6	112.1	E150 I151 I152 T156 T293	E150-R154 WeakPolarHBondContact O-CG 3.36Å; I151-R154 VanDerWaalsContact O-CB 3.31Å; I151-R154 WeakPolarHBondContact O-CB 3.26Å; I151-R154 PolarHBondContact O-N 3.22Å; I152-R154 PolarHBondContact O-N 3.36Å; R154-T156 PolarHBondContact O-N 3.37Å; R154-T293 PolarHBondContact NH2-OG1 3.15Å
155	E	97.5	Very high	97.9	Very high	52 Å²	52	21 Å²	21	24%	0.243	10%	0.098	C	C	.	.	S	Bend	trans	-77.9	119.7	176.8	-55.5	167	176.8	0	0	110.2	R116 R122 I152 S153 E157 T158 Q159	R116-E155 IonicContact CZ-OE2 2.7Å; R116-E155 IonicContact NH2-OE2 3.41Å; R116-E155 PolarHBondContact NH2-OE2 3.41Å; R122-E155 WeakPolarHBondContact CD-OE2 3.36Å; R122-E155 IonicContact NE-OE1 3.42Å; R122-E155 PolarHBondContact NE-OE1 3.36Å; R122-E155 IonicContact NE-OE2 2.61Å; I152-E155 WeakPolarHBondContact O-CB 3.31Å; I152-E155 PolarHBondContact O-N 3.05Å; I152-E155 VanDerWaalsContact O-N 3.12Å; S153-E155 VanDerWaalsContact C-N 3.34Å; E155-E157 VanDerWaalsContact C-N 3.29Å; E155-E157 PolarHBondContact O-N 3.45Å; E155-T158 PolarHBondContact O-N 3.33Å; E155-T158 PolarHBondContact OE2-OG1 2.96Å; E155-Q159 WeakPolarHBondContact O-CG 3.39Å; E155-Q159 PolarHBondContact O-N 3.25Å
156	T	96.4	Very high	98	Very high	44 Å²	44	20.3 Å²	20.3	27%	0.27	9%	0.093	S	C	.	.	H	α-helix	trans	-53	-45	179.2	-57.1	0	0	0	0	112.4	R154 T158 Q159 R160	R154-T156 PolarHBondContact O-N 3.37Å; T156-T158 VanDerWaalsContact C-N 3.32Å; T156-T158 PolarHBondContact O-N 3.49Å; T156-Q159 WeakPolarHBondContact O-CB 3.49Å; T156-Q159 PolarHBondContact O-N 3.47Å; T156-Q159 VanDerWaalsContact O-N 3.17Å; T156-R160 WeakPolarHBondContact O-CG 3.45Å; T156-R160 PolarHBondContact O-N 3.25Å
157	E	97.6	Very high	98	Very high	68 Å²	68	22.5 Å²	22.5	32%	0.318	10%	0.103	S	C	.	.	H	α-helix	trans	-64.6	-34.4	178.9	-72.7	-52.1	118.4	0	0	112.8	E155 R160 R161	E155-E157 VanDerWaalsContact C-N 3.29Å; E155-E157 PolarHBondContact O-N 3.45Å; E157-R160 PolarHBondContact O-N 3.46Å; E157-R160 IonicContact OE1-CZ 2.66Å; E157-R160 IonicContact OE1-NH1 3.58Å; E157-R160 PolarHBondContact OE1-NH1 3.49Å; E157-R161 VanDerWaalsContact O-CB 3.3Å; E157-R161 WeakPolarHBondContact O-CB 3.48Å; E157-R161 WeakPolarHBondContact O-CG 3.45Å; E157-R161 PolarHBondContact O-N 2.88Å; E157-R161 IonicContact OE2-NE 2.68Å
158	T	98.6	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.8	-35.4	174.4	-63.1	0	0	0	0	111.7	R116 R122 I152 E155 T156 R160 G162 L198	R116-T158 PolarHBondContact NH1-OG1 2.89Å; R116-T158 PolarHBondContact NH2-OG1 3.04Å; R122-T158 HydrophobicContact CB-CG2 4.12Å; I152-T158 HydrophobicContact CB-CG2 4.23Å; I152-T158 HydrophobicContact CD1-CG2 4.35Å; I152-T158 HydrophobicContact CG1-CG2 4.13Å; I152-T158 VanDerWaalsContact O-CB 3.27Å; I152-T158 WeakPolarHBondContact O-CB 3.45Å; I152-T158 WeakPolarHBondContact O-CG2 3.35Å; E155-T158 PolarHBondContact O-N 3.33Å; E155-T158 PolarHBondContact OE2-OG1 2.96Å; T156-T158 VanDerWaalsContact C-N 3.32Å; T156-T158 PolarHBondContact O-N 3.49Å; T158-R160 VanDerWaalsContact C-N 3.32Å; T158-R160 PolarHBondContact O-N 3.32Å; T158-G162 WeakPolarHBondContact O-CA 3.5Å; T158-G162 PolarHBondContact O-N 2.76Å; T158-L198 HydrophobicContact CG2-CD2 3.57Å
159	Q	98.3	Very high	98	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.019	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-39.8	173.1	-62.4	167	21.4	0	0	111.6	R63 R66 S153 E155 T156	R63-Q159 HydrophobicContact CG-CG 4.47Å; R66-Q159 HydrophobicContact CB-CB 4.13Å; R66-Q159 VanDerWaalsContact CD-OE1 3.31Å; S153-Q159 WeakPolarHBondContact O-CG 3.26Å; S153-Q159 PolarHBondContact O-NE2 2.9Å; E155-Q159 WeakPolarHBondContact O-CG 3.39Å; E155-Q159 PolarHBondContact O-N 3.25Å; T156-Q159 WeakPolarHBondContact O-CB 3.49Å; T156-Q159 PolarHBondContact O-N 3.47Å; T156-Q159 VanDerWaalsContact O-N 3.17Å
160	R	97.3	Very high	98	Very high	32 Å²	32	30 Å²	30	12%	0.121	14%	0.135	C	C	.	.	H	α-helix	trans	-71.4	-56.2	179.4	-68.4	176.5	176.1	157.9	-2.3	112	T24 E25 L26 T156 E157 T158	T24-R160 HydrophobicContact CG2-CB 4.03Å; T24-R160 HydrophobicContact CG2-CG 3.77Å; T24-R160 WeakPolarHBondContact O-CG 3.29Å; T24-R160 PolarHBondContact O-NE 3.48Å; E25-R160 PolarHBondContact O-NH2 3.21Å; L26-R160 PolarHBondContact O-NH2 3.17Å; T156-R160 WeakPolarHBondContact O-CG 3.45Å; T156-R160 PolarHBondContact O-N 3.25Å; E157-R160 PolarHBondContact O-N 3.46Å; E157-R160 IonicContact OE1-CZ 2.66Å; E157-R160 IonicContact OE1-NH1 3.58Å; E157-R160 PolarHBondContact OE1-NH1 3.49Å; T158-R160 VanDerWaalsContact C-N 3.32Å; T158-R160 PolarHBondContact O-N 3.32Å
161	R	97.8	Very high	97.9	Very high	84 Å²	84	32.2 Å²	32.2	32%	0.317	16%	0.158	S	C	.	.	H	α-helix	trans	-90.7	-31.7	-168.4	-55.6	-58.5	-178.3	-144	-12.7	112.3	E25 A119 G120 E157 R201	E25-R161 IonicContact OE1-CZ 3.64Å; E25-R161 VanDerWaalsContact OE1-CZ 3.32Å; E25-R161 IonicContact OE1-NH1 3.82Å; E25-R161 PolarHBondContact OE1-NH1 3.01Å; E25-R161 IonicContact OE1-NH2 2.81Å; E25-R161 PolarHBondContact OE1-NH2 3.23Å; E25-R161 IonicContact OE2-CZ 3.38Å; E25-R161 IonicContact OE2-NH1 3.23Å; E25-R161 IonicContact OE2-NH2 3.32Å; E25-R161 PolarHBondContact OE2-NH2 3.07Å; A119-R161 VanDerWaalsContact O-CD 3.31Å; A119-R161 WeakPolarHBondContact O-CD 3.48Å; G120-R161 VanDerWaalsContact C-CB 3.47Å; G120-R161 VanDerWaalsContact O-CB 3.31Å; G120-R161 WeakPolarHBondContact O-CB 3.45Å; E157-R161 VanDerWaalsContact O-CB 3.3Å; E157-R161 WeakPolarHBondContact O-CB 3.48Å; E157-R161 WeakPolarHBondContact O-CG 3.45Å; E157-R161 PolarHBondContact O-N 2.88Å; E157-R161 IonicContact OE2-NE 2.68Å; R161-R201 VanDerWaalsContact O-CG 3.24Å; R161-R201 WeakPolarHBondContact O-CG 3.5Å; R161-R201 PolarHBondContact O-NE 2.98Å; R161-R201 PolarHBondContact O-NH2 3.47Å
162	G	98.1	Very high	97.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.			trans	91.6	-155.5	-178.6	0	0	0	0	0	112.6	S121 R122 T158 K199	S121-G162 VanDerWaalsContact CA-O 3.32Å; S121-G162 WeakPolarHBondContact CA-O 3.42Å; R122-G162 PolarHBondContact N-O 2.95Å; T158-G162 WeakPolarHBondContact O-CA 3.5Å; T158-G162 PolarHBondContact O-N 2.76Å; G162-K199 CarbonylContact C-O 3.4Å; G162-K199 WeakPolarHBondContact CA-O 3.47Å
163	L	98.4	Very high	97.6	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.063	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.7	-179.3	69.5	87	0	0	0	112.8	R122 L124 I152 A165 L198 K199 R201	R122-L163 HydrophobicContact CB-CB 4.22Å; R122-L163 CarbonylContact O-C 3.6Å; R122-L163 WeakPolarHBondContact O-CA 3.25Å; R122-L163 WeakPolarHBondContact O-CB 3.47Å; L124-L163 HydrophobicContact CD1-CB 3.77Å; L124-L163 HydrophobicContact CD1-CD1 4.09Å; L124-L163 HydrophobicContact CD1-CD2 4.3Å; L124-L163 HydrophobicContact CD1-CG 4.27Å; I152-L163 HydrophobicContact CD1-CD2 3.96Å; L163-A165 HydrophobicContact CD1-CB 4.36Å; L163-L198 HydrophobicContact CD2-CB 4.06Å; L163-L198 HydrophobicContact CD2-CD1 3.73Å; L163-L198 HydrophobicContact CD2-CD2 4.42Å; L163-L198 HydrophobicContact CD2-CG 4.3Å; L163-K199 PolarHBondContact N-O 3.03Å; L163-R201 WeakPolarHBondContact O-CB 3.4Å; L163-R201 PolarHBondContact O-N 2.86Å
164	K	98.8	Very high	97.4	Very high	17 Å²	17	40.4 Å²	40.4	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140	162	-67.3	-178.8	177.9	159.7	0	109.1	D117 R122 V123 L124 R201 G202 F245 F246	D117-K164 WeakPolarHBondContact OD2-CD 3.46Å; D117-K164 WeakPolarHBondContact OD2-CE 3.49Å; D117-K164 IonicContact OD2-NZ 2.82Å; D117-K164 PolarHBondContact OD2-NZ 3.44Å; R122-K164 PolarHBondContact O-N 2.97Å; V123-K164 WeakPolarHBondContact CA-O 3.29Å; L124-K164 PolarHBondContact N-O 3.13Å; K164-R201 HydrophobicContact CG-CB 4.07Å; K164-G202 CarbonylContact C-O 3.54Å; K164-G202 VanDerWaalsContact CA-O 3.28Å; K164-G202 WeakPolarHBondContact CA-O 3.4Å; K164-F245 PolarHBondContact NZ-O 2.91Å; K164-F246 HydrophobicContact CB-CE1 3.88Å; K164-F246 HydrophobicContact CB-CZ 3.9Å; K164-F246 HydrophobicContact CD-CE1 3.6Å; K164-F246 HydrophobicContact CD-CZ 3.74Å; K164-F246 HydrophobicContact CG-CE1 4.39Å; K164-F246 HydrophobicContact CG-CZ 4.48Å
165	A	98.6	Very high	97.4	Very high	7 Å²	7	38.5 Å²	38.5	6%	0.058	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.1	177.4	0	0	0	0	0	110.5	L124 Y126 L163 F167 G202 I203 H204	L124-A165 HydrophobicContact CB-CB 4.41Å; L124-A165 CarbonylContact O-C 3.56Å; L124-A165 WeakPolarHBondContact O-CA 3.38Å; Y126-A165 HydrophobicContact CE2-CB 4.34Å; L163-A165 HydrophobicContact CD1-CB 4.36Å; A165-F167 HydrophobicContact CB-CD2 4.41Å; A165-F167 HydrophobicContact CB-CE2 3.79Å; A165-F167 HydrophobicContact CB-CZ 4.48Å; A165-G202 PolarHBondContact N-O 3.18Å; A165-I203 CarbonylContact O-C 3.57Å; A165-I203 WeakPolarHBondContact O-CA 3.35Å; A165-H204 PolarHBondContact O-N 2.98Å
166	I	98.9	Very high	97.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.8	171.9	-53.8	174.5	0	0	0	107.4	V123 L124 I125 Y126 H204 V206 F246 L251 Y255	V123-I166 HydrophobicContact CG1-CD1 4.25Å; L124-I166 PolarHBondContact O-N 3.44Å; I125-I166 CarbonylContact C-O 3.53Å; I125-I166 WeakPolarHBondContact CA-O 3.41Å; I125-I166 HydrophobicContact CD1-CD1 4.33Å; I125-I166 HydrophobicContact CG1-CB 4.23Å; I125-I166 HydrophobicContact CG1-CD1 4.27Å; Y126-I166 PolarHBondContact N-O 3.13Å; I166-H204 CarbonylContact C-O 3.36Å; I166-H204 VanDerWaalsContact CA-O 3.3Å; I166-H204 WeakPolarHBondContact CA-O 3.48Å; I166-H204 HydrophobicContact CG1-CB 4.19Å; I166-V206 HydrophobicContact CG2-CG1 4.31Å; I166-V206 HydrophobicContact CG2-CG2 4.23Å; I166-F246 HydrophobicContact CD1-CD2 4.35Å; I166-F246 HydrophobicContact CD1-CE2 3.89Å; I166-F246 HydrophobicContact CD1-CZ 4.02Å; I166-F246 HydrophobicContact CG1-CE2 4.12Å; I166-F246 HydrophobicContact CG1-CZ 4.02Å; I166-L251 HydrophobicContact CD1-CD2 3.72Å; I166-Y255 HydrophobicContact CG2-CE1 4.5Å
167	F	98.6	Very high	97.2	Very high	51 Å²	51	35.1 Å²	35.1	22%	0.224	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	107.1	171.6	-67.2	-93.7	0	0	0	108.1	Y126 I128 A165 L169 I203 H204 L205 V206	Y126-F167 HydrophobicContact CD1-CE1 4.47Å; Y126-F167 AromaticContact CD2-CD1 3.88Å; Y126-F167 HydrophobicContact CD2-CD1 3.88Å; Y126-F167 AromaticContact CD2-CE1 3.47Å; Y126-F167 HydrophobicContact CD2-CE1 3.47Å; Y126-F167 VanDerWaalsContact CD2-CE1 3.47Å; Y126-F167 HydrophobicContact CD2-CE2 4.23Å; Y126-F167 HydrophobicContact CD2-CG 4.41Å; Y126-F167 AromaticContact CD2-CZ 3.67Å; Y126-F167 HydrophobicContact CD2-CZ 3.67Å; Y126-F167 HydrophobicContact CE2-CE1 4.08Å; Y126-F167 AromaticContact CE2-CZ 3.91Å; Y126-F167 HydrophobicContact CE2-CZ 3.91Å; Y126-F167 AromaticContact CG-CD1 3.94Å; Y126-F167 HydrophobicContact CG-CD1 3.94Å; Y126-F167 AromaticContact CG-CE1 3.69Å; Y126-F167 HydrophobicContact CG-CE1 3.69Å; Y126-F167 HydrophobicContact CG-CZ 4.35Å; Y126-F167 WeakPolarHBondContact O-CA 3.37Å; I128-F167 HydrophobicContact CD1-CD1 4.4Å; A165-F167 HydrophobicContact CB-CD2 4.41Å; A165-F167 HydrophobicContact CB-CE2 3.79Å; A165-F167 HydrophobicContact CB-CZ 4.48Å; F167-L169 HydrophobicContact CB-CD2 4Å; F167-L169 PolarHBondContact O-N 3.32Å; F167-I203 HydrophobicContact CD2-CG2 3.95Å; F167-I203 HydrophobicContact CE2-CG2 3.99Å; F167-H204 PolarHBondContact N-O 2.96Å; F167-L205 HydrophobicContact CB-CD2 3.72Å; F167-L205 HydrophobicContact CD2-CD2 3.94Å; F167-L205 HydrophobicContact CG-CD2 4.12Å; F167-V206 PolarHBondContact O-N 2.9Å
168	D	98.6	Very high	97.1	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.112	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	107	169.1	-176.2	2.6	0	0	0	109.2	Y126 I128 K170 V206 N207 Y255	Y126-D168 PolarHBondContact O-N 3.12Å; I128-D168 PolarHBondContact N-O 2.96Å; D168-K170 VanDerWaalsContact C-N 3.28Å; D168-K170 WeakPolarHBondContact OD1-CB 3.31Å; D168-K170 PolarHBondContact OD1-N 3.26Å; D168-V206 HydrophobicContact CB-CG2 3.86Å; D168-N207 WeakPolarHBondContact OD1-CB 3.2Å; D168-N207 PolarHBondContact OD1-ND2 2.99Å; D168-Y255 HydrophobicContact CB-CE1 4.05Å
169	L	98.1	Very high	96.9	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	22%	0.222	C	C	.	.			trans	-90	10.3	-178.5	-57	-163.4	0	0	0	112.5	I128 F167 G171 W172 V206 N207 E208 F212	I128-L169 HydrophobicContact CB-CD2 4.25Å; I128-L169 HydrophobicContact CG1-CD2 3.43Å; I128-L169 VanDerWaalsContact CG1-CD2 3.43Å; F167-L169 HydrophobicContact CB-CD2 4Å; F167-L169 PolarHBondContact O-N 3.32Å; L169-G171 PolarHBondContact O-N 3.38Å; L169-W172 HydrophobicContact CB-CB 4.31Å; L169-W172 WeakPolarHBondContact O-CB 3.27Å; L169-W172 PolarHBondContact O-N 3.12Å; L169-V206 PolarHBondContact N-O 3.45Å; L169-N207 CarbonylContact C-O 3.6Å; L169-E208 HydrophobicContact CB-CB 4.25Å; L169-E208 HydrophobicContact CD1-CB 3.58Å; L169-E208 HydrophobicContact CG-CB 4.26Å; L169-F212 HydrophobicContact CD1-CB 4.39Å; L169-F212 HydrophobicContact CD1-CD1 3.74Å; L169-F212 HydrophobicContact CD1-CD2 3.54Å; L169-F212 HydrophobicContact CD1-CE1 3.82Å; L169-F212 HydrophobicContact CD1-CE2 3.6Å; L169-F212 HydrophobicContact CD1-CG 3.6Å; L169-F212 HydrophobicContact CD1-CZ 3.74Å
170	K	97.6	Very high	96.6	Very high	144 Å²	144	42 Å²	42	63%	0.626	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	126.9	168.2	-172	174.3	-178.2	177.5	0	109.4	G129 D168 N207	G129-K170 WeakPolarHBondContact CA-O 3.25Å; G129-K170 PolarHBondContact N-O 2.95Å; D168-K170 VanDerWaalsContact C-N 3.28Å; D168-K170 WeakPolarHBondContact OD1-CB 3.31Å; D168-K170 PolarHBondContact OD1-N 3.26Å; K170-N207 HydrophobicContact CB-CB 3.83Å
171	G	96.3	Very high	96.3	Very high	48 Å²	48	43.5 Å²	43.5	50%	0.495	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	5.2	-174.2	0	0	0	0	0	114.8	L169 H176	L169-G171 PolarHBondContact O-N 3.38Å; G171-H176 PolarHBondContact O-CE1 3.46Å
172	W	96	Very high	96	Very high	22 Å²	22	42.7 Å²	42.7	8%	0.083	24%	0.242	C	C	.	.			trans	-54	140.7	168.3	179.6	-98.7	0	0	0	110.8	I128 L169 H176 A177 I180 P209 F211 F212 V215	I128-W172 HydrophobicContact CG2-CE3 3.61Å; I128-W172 HydrophobicContact CG2-CZ3 4.08Å; L169-W172 HydrophobicContact CB-CB 4.31Å; L169-W172 WeakPolarHBondContact O-CB 3.27Å; L169-W172 PolarHBondContact O-N 3.12Å; W172-H176 HydrophobicContact CD2-CB 4.03Å; W172-H176 HydrophobicContact CE3-CB 3.69Å; W172-H176 HydrophobicContact CH2-CB 3.67Å; W172-H176 HydrophobicContact CZ2-CB 4.03Å; W172-H176 HydrophobicContact CZ3-CB 3.5Å; W172-A177 HydrophobicContact CZ2-CB 3.74Å; W172-I180 HydrophobicContact CH2-CG1 4.23Å; W172-P209 HydrophobicContact CB-CG 3.95Å; W172-P209 HydrophobicContact CG-CG 4.1Å; W172-F211 AromaticContact CD1-CD2 3.72Å; W172-F211 AromaticContact CD1-CE2 3.26Å; W172-F211 HydrophobicContact CG-CE2 4.32Å; W172-F211 AromaticContact NE1-CD2 3.91Å; W172-F211 AromaticContact NE1-CE2 3.82Å; W172-F211 WeakPolarHBondContact O-CZ 3.41Å; W172-F212 HydrophobicContact CD2-CD2 4.09Å; W172-F212 AromaticContact CE2-CD2 3.83Å; W172-F212 HydrophobicContact CE3-CD2 4.44Å; W172-F212 HydrophobicContact CH2-CD2 4.43Å; W172-F212 HydrophobicContact CH2-CE2 4.44Å; W172-F212 HydrophobicContact CZ2-CD2 4.03Å; W172-F212 HydrophobicContact CZ2-CE2 4.44Å; W172-V215 HydrophobicContact CH2-CG1 4.44Å; W172-V215 HydrophobicContact CZ2-CB 4.38Å; W172-V215 HydrophobicContact CZ2-CG1 4.41Å; W172-V215 HydrophobicContact CZ2-CG2 3.93Å
173	S	95.5	Very high	95.7	Very high	43 Å²	43	45.1 Å²	45.1	30%	0.301	26%	0.259	S	S	.	.			trans	-147.6	166.8	-169.7	79.7	0	0	0	0	110.8	G175 H176 A177	S173-G175 PolarHBondContact O-N 2.9Å; S173-G175 PolarHBondContact OG-N 2.87Å; S173-H176 PolarHBondContact N-ND1 3.41Å; S173-H176 WeakPolarHBondContact O-CB 3.49Å; S173-H176 PolarHBondContact O-N 3.28Å; S173-H176 VanDerWaalsContact O-N 3.15Å; S173-H176 PolarHBondContact OG-N 2.99Å; S173-H176 PolarHBondContact OG-ND1 3.12Å; S173-A177 PolarHBondContact O-N 2.64Å; S173-A177 VanDerWaalsContact O-N 3.14Å
174	L	93.3	Very high	95.3	Very high	126 Å²	126	44.6 Å²	44.6	66%	0.66	26%	0.256	S	S	*	.	H	α-helix	trans	-60.6	-33.7	174.6	-176.9	62	0	0	0	111.9	H176 A177 L178	L174-H176 VanDerWaalsContact C-N 3.28Å; L174-H176 PolarHBondContact O-N 3.18Å; L174-A177 HydrophobicContact CD1-CB 4.45Å; L174-A177 PolarHBondContact O-N 3.21Å; L174-A177 VanDerWaalsContact O-N 3.15Å; L174-L178 HydrophobicContact CD1-CG 4.25Å; L174-L178 HydrophobicContact CG-CD1 4.09Å; L174-L178 HydrophobicContact CG-CG 4.23Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.27Å; L174-L178 PolarHBondContact O-N 3.5Å
175	G	95.6	Very high	95	Very high	29 Å²	29	43.8 Å²	43.8	30%	0.299	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-39.1	175.9	0	0	0	0	0	112.3	S173 Q179	S173-G175 PolarHBondContact O-N 2.9Å; S173-G175 PolarHBondContact OG-N 2.87Å; G175-Q179 WeakPolarHBondContact O-CG 3.46Å
176	H	95.9	Very high	94.7	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.023	27%	0.274	C	S	.	.	H	α-helix	trans	-66.5	-46.7	172.6	-59.2	121	0	0	0	111.7	W131 G171 W172 S173 L174 L178 Q179	W131-H176 AromaticContact CD2-CD2 3.61Å; W131-H176 AromaticContact CE3-CD2 3.48Å; W131-H176 VanDerWaalsContact CE3-CD2 3.48Å; W131-H176 HydrophobicContact CZ3-CB 4.27Å; W131-H176 AromaticContact CZ3-CD2 3.81Å; W131-H176 PolarHBondContact O-NE2 3.46Å; G171-H176 PolarHBondContact O-CE1 3.46Å; W172-H176 HydrophobicContact CD2-CB 4.03Å; W172-H176 HydrophobicContact CE3-CB 3.69Å; W172-H176 HydrophobicContact CH2-CB 3.67Å; W172-H176 HydrophobicContact CZ2-CB 4.03Å; W172-H176 HydrophobicContact CZ3-CB 3.5Å; S173-H176 PolarHBondContact N-ND1 3.41Å; S173-H176 WeakPolarHBondContact O-CB 3.49Å; S173-H176 PolarHBondContact O-N 3.28Å; S173-H176 VanDerWaalsContact O-N 3.15Å; S173-H176 PolarHBondContact OG-N 2.99Å; S173-H176 PolarHBondContact OG-ND1 3.12Å; L174-H176 VanDerWaalsContact C-N 3.28Å; L174-H176 PolarHBondContact O-N 3.18Å; H176-L178 VanDerWaalsContact C-N 3.29Å; H176-L178 PolarHBondContact O-N 3.33Å; H176-Q179 WeakPolarHBondContact O-CB 3.42Å; H176-Q179 PolarHBondContact O-N 3.36Å; H176-Q179 VanDerWaalsContact O-N 3.08Å
177	A	94.1	Very high	94.5	Very high	20 Å²	20	51.1 Å²	51.1	17%	0.165	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-40	-178.6	0	0	0	0	0	112.4	W172 S173 L174 Q179 I180 V215	W172-A177 HydrophobicContact CZ2-CB 3.74Å; S173-A177 PolarHBondContact O-N 2.64Å; S173-A177 VanDerWaalsContact O-N 3.14Å; L174-A177 HydrophobicContact CD1-CB 4.45Å; L174-A177 PolarHBondContact O-N 3.21Å; L174-A177 VanDerWaalsContact O-N 3.15Å; A177-Q179 PolarHBondContact O-N 3.33Å; A177-I180 PolarHBondContact O-N 2.97Å; A177-I180 VanDerWaalsContact O-N 3.08Å; A177-V215 HydrophobicContact CB-CG2 3.84Å
178	L	94.1	Very high	94.1	Very high	135 Å²	135	50.5 Å²	50.5	71%	0.707	28%	0.278	S	S	*	.	H	α-helix	trans	-66.5	-20.2	178.7	-70.3	172.9	0	0	0	113.7	L174 H176 I180	L174-L178 HydrophobicContact CD1-CG 4.25Å; L174-L178 HydrophobicContact CG-CD1 4.09Å; L174-L178 HydrophobicContact CG-CG 4.23Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.27Å; L174-L178 PolarHBondContact O-N 3.5Å; H176-L178 VanDerWaalsContact C-N 3.29Å; H176-L178 PolarHBondContact O-N 3.33Å; L178-I180 VanDerWaalsContact C-N 3.31Å
179	Q	94.4	Very high	93.8	Very high	60 Å²	60	49.7 Å²	49.7	28%	0.28	27%	0.274	S	S	.	.	H	α-helix	trans	-77.3	-19.5	174.4	-64	-79.8	-29.4	0	0	112.2	W131 P133 A138 G175 H176 A177 N181	W131-Q179 HydrophobicContact CH2-CB 3.96Å; W131-Q179 HydrophobicContact CH2-CG 4.32Å; W131-Q179 HydrophobicContact CZ2-CB 3.97Å; W131-Q179 HydrophobicContact CZ2-CG 3.9Å; P133-Q179 HydrophobicContact CB-CG 4.01Å; P133-Q179 PolarHBondContact O-NE2 2.91Å; A138-Q179 HydrophobicContact CB-CB 3.79Å; G175-Q179 WeakPolarHBondContact O-CG 3.46Å; H176-Q179 WeakPolarHBondContact O-CB 3.42Å; H176-Q179 PolarHBondContact O-N 3.36Å; H176-Q179 VanDerWaalsContact O-N 3.08Å; A177-Q179 PolarHBondContact O-N 3.33Å; Q179-N181 PolarHBondContact O-N 3.26Å
180	I	92.3	Very high	93.6	Very high	20 Å²	20	50.9 Å²	50.9	10%	0.103	28%	0.283	C	S	.	.			trans	-92.9	93.4	-177.1	-48.2	-55.7	0	0	0	110.2	W131 A138 W172 A177 L178 L184 V215 I219	W131-I180 HydrophobicContact CH2-CD1 4.44Å; A138-I180 HydrophobicContact CB-CD1 4.14Å; W172-I180 HydrophobicContact CH2-CG1 4.23Å; A177-I180 PolarHBondContact O-N 2.97Å; A177-I180 VanDerWaalsContact O-N 3.08Å; L178-I180 VanDerWaalsContact C-N 3.31Å; I180-L184 HydrophobicContact CD1-CD2 3.87Å; I180-V215 HydrophobicContact CB-CG1 4.12Å; I180-V215 HydrophobicContact CG1-CG1 4.16Å; I180-V215 HydrophobicContact CG2-CG1 3.94Å; I180-I219 HydrophobicContact CG2-CD1 4.44Å
181	N	91.4	Very high	93.4	Very high	64 Å²	64	45 Å²	45	34%	0.342	26%	0.259	S	S	.	.			trans	-95.9	166.4	173.4	67	50.5	0	0	0	111.9	Q179 S183 L184 A185	Q179-N181 PolarHBondContact O-N 3.26Å; N181-S183 VanDerWaalsContact C-N 3.25Å; N181-S183 PolarHBondContact O-N 3.3Å; N181-S183 WeakPolarHBondContact OD1-CA 3.31Å; N181-S183 VanDerWaalsContact OD1-CB 3.28Å; N181-S183 WeakPolarHBondContact OD1-CB 3.46Å; N181-S183 PolarHBondContact OD1-N 2.88Å; N181-L184 PolarHBondContact O-N 3.21Å; N181-L184 PolarHBondContact OD1-N 3.15Å; N181-A185 PolarHBondContact O-N 3.02Å
182	P	91.5	Very high	93.2	Very high	68 Å²	68	44.6 Å²	44.6	44%	0.442	25%	0.245	S	C	.	.	H	α-helix	trans	-58.7	-30.5	-179.7	-28.3	36.3	0	0	0	115	R186 M218	P182-R186 WeakPolarHBondContact O-CB 3.41Å; P182-R186 PolarHBondContact O-N 2.82Å; P182-M218 HydrophobicContact CG-SD 4.1Å
183	S	91.7	Very high	92.9	Very high	50 Å²	50	45 Å²	45	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-66.1	-47.8	176.9	-177.9	0	0	0	0	110.8	N181 R186 K187	N181-S183 VanDerWaalsContact C-N 3.25Å; N181-S183 PolarHBondContact O-N 3.3Å; N181-S183 WeakPolarHBondContact OD1-CA 3.31Å; N181-S183 VanDerWaalsContact OD1-CB 3.28Å; N181-S183 WeakPolarHBondContact OD1-CB 3.46Å; N181-S183 PolarHBondContact OD1-N 2.88Å; S183-R186 PolarHBondContact O-N 3.18Å; S183-K187 PolarHBondContact O-N 2.77Å; S183-K187 VanDerWaalsContact O-N 3.09Å
184	L	91.2	Very high	92.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-66	-41.6	175.5	-179.3	62.5	0	0	0	111.8	A138 F139 F142 I180 N181 R186 K187 I188	A138-L184 HydrophobicContact CB-CD2 3.32Å; F139-L184 HydrophobicContact CD1-CD1 3.96Å; F139-L184 HydrophobicContact CE1-CB 4.4Å; F139-L184 HydrophobicContact CE1-CD1 3.88Å; F139-L184 HydrophobicContact CZ-CB 4.43Å; F142-L184 HydrophobicContact CD1-CD1 4.14Å; I180-L184 HydrophobicContact CD1-CD2 3.87Å; N181-L184 PolarHBondContact O-N 3.21Å; N181-L184 PolarHBondContact OD1-N 3.15Å; L184-R186 VanDerWaalsContact C-N 3.27Å; L184-R186 PolarHBondContact O-N 3.26Å; L184-K187 PolarHBondContact O-N 3.23Å; L184-K187 VanDerWaalsContact O-N 3.11Å; L184-I188 HydrophobicContact CD1-CD1 4.26Å; L184-I188 HydrophobicContact CD1-CG1 4.24Å; L184-I188 HydrophobicContact CD2-CD1 4.44Å; L184-I188 HydrophobicContact CG-CD1 3.89Å; L184-I188 HydrophobicContact CG-CG1 4.33Å; L184-I188 WeakPolarHBondContact O-CG1 3.39Å; L184-I188 PolarHBondContact O-N 2.92Å
185	A	92	Very high	92.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.5	-40.4	176.4	0	0	0	0	0	112	N181 S189 I219 F222	N181-A185 PolarHBondContact O-N 3.02Å; A185-S189 WeakPolarHBondContact O-CB 3.39Å; A185-S189 PolarHBondContact O-N 3.37Å; A185-S189 PolarHBondContact O-OG 3.38Å; A185-I219 HydrophobicContact CB-CG1 3.9Å; A185-F222 HydrophobicContact CB-CD2 4.32Å; A185-F222 HydrophobicContact CB-CE2 4.32Å
186	R	92.6	Very high	93	Very high	134 Å²	134	38.4 Å²	38.4	51%	0.506	21%	0.207	S	C	.	.	H	α-helix	trans	-64.1	-46.9	173.7	-169.4	-176.1	-57.9	126.9	2.1	111.4	P182 S183 L184 I188 S189 S190	P182-R186 WeakPolarHBondContact O-CB 3.41Å; P182-R186 PolarHBondContact O-N 2.82Å; S183-R186 PolarHBondContact O-N 3.18Å; L184-R186 VanDerWaalsContact C-N 3.27Å; L184-R186 PolarHBondContact O-N 3.26Å; R186-I188 PolarHBondContact O-N 3.12Å; R186-S189 PolarHBondContact O-N 2.92Å; R186-S189 VanDerWaalsContact O-N 3.16Å; R186-S190 PolarHBondContact O-N 3.3Å; R186-S190 PolarHBondContact O-OG 3.12Å
187	K	93.7	Very high	93	Very high	28 Å²	28	38.4 Å²	38.4	12%	0.122	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-44.5	178.3	-75.7	170.6	172	162.5	0	112.5	W85 E88 S89 E91 I92 F139 F142 S183 L184 V191	W85-K187 PolarHBondContact NE1-O 2.8Å; E88-K187 WeakPolarHBondContact O-CE 3.17Å; E88-K187 PolarHBondContact O-NZ 3.35Å; S89-K187 VanDerWaalsContact OG-CE 3.23Å; S89-K187 WeakPolarHBondContact OG-CE 3.5Å; E91-K187 IonicContact OE1-NZ 3.79Å; E91-K187 PolarHBondContact OE1-NZ 2.8Å; E91-K187 IonicContact OE2-NZ 2.66Å; I92-K187 HydrophobicContact CD1-CD 4.25Å; F139-K187 HydrophobicContact CE1-CD 4.34Å; F142-K187 HydrophobicContact CE1-CB 4.49Å; S183-K187 PolarHBondContact O-N 2.77Å; S183-K187 VanDerWaalsContact O-N 3.09Å; L184-K187 PolarHBondContact O-N 3.23Å; L184-K187 VanDerWaalsContact O-N 3.11Å; K187-V191 PolarHBondContact O-N 2.96Å
188	I	90.9	Very high	93.2	Very high	38 Å²	38	38.1 Å²	38.1	20%	0.195	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-48.9	174	-68.9	168	0	0	0	110	F142 L184 R186 S190 V191 L192	F142-I188 HydrophobicContact CD1-CG1 4.19Å; F142-I188 HydrophobicContact CE1-CG1 3.87Å; F142-I188 HydrophobicContact CE2-CG1 4.38Å; F142-I188 HydrophobicContact CZ-CB 4.4Å; F142-I188 HydrophobicContact CZ-CG1 3.98Å; L184-I188 HydrophobicContact CD1-CD1 4.26Å; L184-I188 HydrophobicContact CD1-CG1 4.24Å; L184-I188 HydrophobicContact CD2-CD1 4.44Å; L184-I188 HydrophobicContact CG-CD1 3.89Å; L184-I188 HydrophobicContact CG-CG1 4.33Å; L184-I188 WeakPolarHBondContact O-CG1 3.39Å; L184-I188 PolarHBondContact O-N 2.92Å; R186-I188 PolarHBondContact O-N 3.12Å; I188-S190 PolarHBondContact O-N 3Å; I188-V191 PolarHBondContact O-N 3.41Å; I188-L192 HydrophobicContact CG2-CD1 3.87Å; I188-L192 HydrophobicContact CG2-CG 4.4Å; I188-L192 WeakPolarHBondContact O-CG 3.39Å; I188-L192 PolarHBondContact O-N 3.08Å; I188-L192 VanDerWaalsContact O-N 3.1Å
189	S	92.4	Very high	93.4	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-61.8	-43.6	-176.9	-58.8	0	0	0	0	112.1	A185 R186 V191 L192 S193 F222	A185-S189 WeakPolarHBondContact O-CB 3.39Å; A185-S189 PolarHBondContact O-N 3.37Å; A185-S189 PolarHBondContact O-OG 3.38Å; R186-S189 PolarHBondContact O-N 2.92Å; R186-S189 VanDerWaalsContact O-N 3.16Å; S189-V191 PolarHBondContact O-N 3.26Å; S189-L192 PolarHBondContact O-N 3.45Å; S189-L192 VanDerWaalsContact O-N 3.16Å; S189-S193 PolarHBondContact O-N 3.1Å; S189-S193 VanDerWaalsContact O-N 3.08Å; S189-S193 PolarHBondContact O-OG 2.85Å; S189-F222 WeakPolarHBondContact OG-CB 3.31Å
190	S	94.1	Very high	93.5	Very high	31 Å²	31	30.2 Å²	30.2	22%	0.217	16%	0.162	C	C	.	.	H	α-helix	trans	-56.8	-45.7	176.1	-65.8	0	0	0	0	112.6	R186 I188 L192 S193 D194 S195	R186-S190 PolarHBondContact O-N 3.3Å; R186-S190 PolarHBondContact O-OG 3.12Å; I188-S190 PolarHBondContact O-N 3Å; S190-L192 VanDerWaalsContact C-N 3.33Å; S190-L192 PolarHBondContact O-N 3.16Å; S190-S193 PolarHBondContact O-N 3.43Å; S190-S193 PolarHBondContact O-OG 2.92Å; S190-D194 PolarHBondContact O-N 2.78Å; S190-S195 WeakPolarHBondContact CB-OG 3.3Å; S190-S195 WeakPolarHBondContact O-CB 3.46Å; S190-S195 PolarHBondContact O-N 2.77Å
191	V	93.5	Very high	93.8	Very high	19 Å²	19	33.9 Å²	33.9	12%	0.115	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-38.4	177.4	171.8	0	0	0	0	111.6	W85 F142 K187 I188 S189 S193 F196	W85-V191 HydrophobicContact CD2-CG2 4.06Å; W85-V191 VanDerWaalsContact CE2-CG2 3.43Å; W85-V191 HydrophobicContact CH2-CG2 4.05Å; W85-V191 HydrophobicContact CZ2-CG2 3.45Å; W85-V191 VanDerWaalsContact CZ2-CG2 3.45Å; F142-V191 HydrophobicContact CE1-CG2 4.41Å; F142-V191 HydrophobicContact CZ-CB 4.04Å; F142-V191 HydrophobicContact CZ-CG1 4.34Å; F142-V191 HydrophobicContact CZ-CG2 3.89Å; K187-V191 PolarHBondContact O-N 2.96Å; I188-V191 PolarHBondContact O-N 3.41Å; S189-V191 PolarHBondContact O-N 3.26Å; V191-S193 VanDerWaalsContact C-N 3.28Å; V191-S193 PolarHBondContact O-N 3.27Å; V191-F196 HydrophobicContact CG1-CB 3.96Å; V191-F196 HydrophobicContact CG1-CG 4.45Å
192	L	91	Very high	94.1	Very high	41 Å²	41	30.9 Å²	30.9	22%	0.215	16%	0.159	C	C	.	.	H	α-helix	trans	-70.2	-22.2	178.6	-66.8	174.8	0	0	0	113.5	I188 S189 S190 V200 I203 L223 I227	I188-L192 HydrophobicContact CG2-CD1 3.87Å; I188-L192 HydrophobicContact CG2-CG 4.4Å; I188-L192 WeakPolarHBondContact O-CG 3.39Å; I188-L192 PolarHBondContact O-N 3.08Å; I188-L192 VanDerWaalsContact O-N 3.1Å; S189-L192 PolarHBondContact O-N 3.45Å; S189-L192 VanDerWaalsContact O-N 3.16Å; S190-L192 VanDerWaalsContact C-N 3.33Å; S190-L192 PolarHBondContact O-N 3.16Å; L192-V200 HydrophobicContact CD2-CG2 4.05Å; L192-I203 HydrophobicContact CD1-CD1 3.97Å; L192-I203 HydrophobicContact CD2-CD1 4.06Å; L192-L223 HydrophobicContact CD1-CD2 4.08Å; L192-I227 WeakPolarHBondContact O-CD1 3.37Å
193	S	88.8	Confident	94.5	Very high	29 Å²	29	28.2 Å²	28.2	20%	0.203	14%	0.141	C	C	.	.	H	α-helix	trans	-107.7	-63.1	-174.9	53.1	0	0	0	0	114.4	R68 S189 S190 V191	R68-S193 PolarHBondContact NH2-O 3.3Å; S189-S193 PolarHBondContact O-N 3.1Å; S189-S193 VanDerWaalsContact O-N 3.08Å; S189-S193 PolarHBondContact O-OG 2.85Å; S190-S193 PolarHBondContact O-N 3.43Å; S190-S193 PolarHBondContact O-OG 2.92Å; V191-S193 VanDerWaalsContact C-N 3.28Å; V191-S193 PolarHBondContact O-N 3.27Å
194	D	92.9	Very high	94.8	Very high	51 Å²	51	25.9 Å²	25.9	27%	0.273	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-150.7	15	-156.5	70.7	-35.4	0	0	0	115.2	L78 N81 S190	L78-D194 WeakPolarHBondContact CD1-O 3.33Å; N81-D194 WeakPolarHBondContact CB-O 3.48Å; N81-D194 PolarHBondContact ND2-O 3.15Å; N81-D194 PolarHBondContact ND2-OD2 2.83Å; S190-D194 PolarHBondContact O-N 2.78Å
195	S	96.3	Very high	95.1	Very high	7 Å²	7	26.3 Å²	26.3	5%	0.049	13%	0.127	C	C	.	.	S	Bend	trans	-122.7	7.7	175.3	-62.7	0	0	0	0	114.3	Y82 S190	Y82-S195 WeakPolarHBondContact CA-O 3.21Å; Y82-S195 WeakPolarHBondContact CB-O 3.23Å; Y82-S195 WeakPolarHBondContact CD2-O 3.46Å; S190-S195 WeakPolarHBondContact CB-OG 3.3Å; S190-S195 WeakPolarHBondContact O-CB 3.46Å; S190-S195 PolarHBondContact O-N 2.77Å
196	F	97.7	Very high	95.4	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.013	13%	0.127	C	C	.	.	S	Bend	trans	-144.1	138.6	173.8	-156.2	-85.7	0	0	0	111.2	Y82 L146 S149 E150 V191 L198	Y82-F196 HydrophobicContact CD2-CD2 4.06Å; Y82-F196 HydrophobicContact CD2-CE2 4.41Å; Y82-F196 HydrophobicContact CE2-CD2 4.01Å; Y82-F196 AromaticContact CE2-CE2 3.9Å; Y82-F196 HydrophobicContact CE2-CE2 3.9Å; L146-F196 HydrophobicContact CD1-CD2 3.98Å; L146-F196 HydrophobicContact CD1-CE2 3.54Å; L146-F196 HydrophobicContact CD1-CZ 4.48Å; S149-F196 VanDerWaalsContact C-CZ 3.48Å; S149-F196 VanDerWaalsContact CB-CE1 3.45Å; S149-F196 WeakPolarHBondContact O-CE1 3.47Å; E150-F196 HydrophobicContact CG-CE2 4.37Å; E150-F196 HydrophobicContact CG-CZ 4.21Å; V191-F196 HydrophobicContact CG1-CB 3.96Å; V191-F196 HydrophobicContact CG1-CG 4.45Å; F196-L198 HydrophobicContact CD1-CB 4.1Å; F196-L198 HydrophobicContact CD1-CD1 3.58Å; F196-L198 HydrophobicContact CD1-CG 3.7Å; F196-L198 HydrophobicContact CE1-CD1 3.48Å; F196-L198 VanDerWaalsContact CE1-CD1 3.48Å; F196-L198 HydrophobicContact CE1-CG 3.81Å; F196-L198 PolarHBondContact O-N 2.85Å
197	P	97.5	Very high	95.7	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.032	11%	0.111	C	C	.	.	S	Bend	trans	-78.3	52.6	-174.5	34.2	-38.4	0	0	0	113.9	R63 F64 A67 L78	R63-P197 HydrophobicContact CB-CB 3.93Å; R63-P197 HydrophobicContact CB-CG 4.14Å; F64-P197 HydrophobicContact CD1-CB 4.08Å; F64-P197 HydrophobicContact CE1-CB 4.07Å; F64-P197 HydrophobicContact CE1-CG 4.1Å; F64-P197 HydrophobicContact CE2-CG 4.35Å; F64-P197 HydrophobicContact CG-CB 4.32Å; F64-P197 HydrophobicContact CZ-CB 4.33Å; F64-P197 HydrophobicContact CZ-CG 3.97Å; A67-P197 HydrophobicContact CB-CB 4.22Å; L78-P197 HydrophobicContact CD2-CB 4.36Å
198	L	97.4	Very high	95.8	Very high	14 Å²	14	21.6 Å²	21.6	7%	0.073	11%	0.112	C	C	.	.			trans	-128	140.3	174.5	-74.1	170.7	0	0	0	110.8	I152 T158 L163 F196 V200	I152-L198 HydrophobicContact CD1-CD1 4.16Å; I152-L198 HydrophobicContact CG1-CD1 4.06Å; I152-L198 HydrophobicContact CG1-CD2 4.38Å; T158-L198 HydrophobicContact CG2-CD2 3.57Å; L163-L198 HydrophobicContact CD2-CB 4.06Å; L163-L198 HydrophobicContact CD2-CD1 3.73Å; L163-L198 HydrophobicContact CD2-CD2 4.42Å; L163-L198 HydrophobicContact CD2-CG 4.3Å; F196-L198 HydrophobicContact CD1-CB 4.1Å; F196-L198 HydrophobicContact CD1-CD1 3.58Å; F196-L198 HydrophobicContact CD1-CG 3.7Å; F196-L198 HydrophobicContact CE1-CD1 3.48Å; F196-L198 VanDerWaalsContact CE1-CD1 3.48Å; F196-L198 HydrophobicContact CE1-CG 3.81Å; F196-L198 PolarHBondContact O-N 2.85Å; L198-V200 PolarHBondContact O-N 3.37Å
199	K	97.6	Very high	95.9	Very high	19 Å²	19	21.2 Å²	21.2	8%	0.083	11%	0.112	C	C	.	.			trans	-87.9	104.4	173.8	-62.3	178.6	-170.8	177.3	0	109	R66 D69 G162 L163 R201	R66-K199 WeakPolarHBondContact O-CE 3.37Å; R66-K199 PolarHBondContact O-NZ 2.98Å; D69-K199 IonicContact OD1-NZ 3.5Å; D69-K199 PolarHBondContact OD1-NZ 3.01Å; G162-K199 CarbonylContact C-O 3.4Å; G162-K199 WeakPolarHBondContact CA-O 3.47Å; L163-K199 PolarHBondContact N-O 3.03Å; K199-R201 PolarHBondContact O-N 2.82Å; K199-R201 VanDerWaalsContact O-N 3.16Å
200	V	97.9	Very high	95.6	Very high	9 Å²	9	27.6 Å²	27.6	6%	0.055	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	105.3	172.2	-179.1	0	0	0	0	109.3	L192 L198 I203 I227 R230	L192-V200 HydrophobicContact CD2-CG2 4.05Å; L198-V200 PolarHBondContact O-N 3.37Å; V200-I203 HydrophobicContact CG1-CD1 4.03Å; V200-I203 HydrophobicContact CG1-CG1 3.77Å; V200-I227 HydrophobicContact CB-CD1 3.94Å; V200-I227 HydrophobicContact CG1-CD1 4.31Å; V200-R230 WeakPolarHBondContact O-CD 2.97Å; V200-R230 PolarHBondContact O-NH1 2.99Å
201	R	97.9	Very high	95.2	Very high	98 Å²	98	31.6 Å²	31.6	37%	0.37	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-25.5	-178.3	-63.6	-63.9	-173.4	155.6	-0.2	113.4	R161 L163 K164 K199	R161-R201 VanDerWaalsContact O-CG 3.24Å; R161-R201 WeakPolarHBondContact O-CG 3.5Å; R161-R201 PolarHBondContact O-NE 2.98Å; R161-R201 PolarHBondContact O-NH2 3.47Å; L163-R201 WeakPolarHBondContact O-CB 3.4Å; L163-R201 PolarHBondContact O-N 2.86Å; K164-R201 HydrophobicContact CG-CB 4.07Å; K199-R201 PolarHBondContact O-N 2.82Å; K199-R201 VanDerWaalsContact O-N 3.16Å
202	G	98.2	Very high	95.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	144.5	-180	0	0	0	0	0	112.2	K164 A165 R230	K164-G202 CarbonylContact C-O 3.54Å; K164-G202 VanDerWaalsContact CA-O 3.28Å; K164-G202 WeakPolarHBondContact CA-O 3.4Å; A165-G202 PolarHBondContact N-O 3.18Å; G202-R230 CarbonylContact C-O 3.42Å; G202-R230 WeakPolarHBondContact CA-O 3.33Å
203	I	98.4	Very high	94.9	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.062	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.3	171	-60.7	173.4	0	0	0	106.3	A165 F167 L192 V200 L205 I227 R230 V231 H232	A165-I203 CarbonylContact O-C 3.57Å; A165-I203 WeakPolarHBondContact O-CA 3.35Å; F167-I203 HydrophobicContact CD2-CG2 3.95Å; F167-I203 HydrophobicContact CE2-CG2 3.99Å; L192-I203 HydrophobicContact CD1-CD1 3.97Å; L192-I203 HydrophobicContact CD2-CD1 4.06Å; V200-I203 HydrophobicContact CG1-CD1 4.03Å; V200-I203 HydrophobicContact CG1-CG1 3.77Å; I203-L205 HydrophobicContact CG2-CD2 3.94Å; I203-I227 HydrophobicContact CD1-CG2 4.28Å; I203-R230 PolarHBondContact N-O 3.1Å; I203-V231 HydrophobicContact CB-CG2 4.26Å; I203-V231 HydrophobicContact CD1-CG2 4.26Å; I203-V231 CarbonylContact O-C 3.52Å; I203-V231 WeakPolarHBondContact O-CA 3.35Å; I203-H232 PolarHBondContact O-N 3.09Å
204	H	98.6	Very high	94.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.4	-174.1	-60.5	-100.8	0	0	0	108.2	A165 I166 F167 H232 H234 L242 F245 F246	A165-H204 PolarHBondContact O-N 2.98Å; I166-H204 CarbonylContact C-O 3.36Å; I166-H204 VanDerWaalsContact CA-O 3.3Å; I166-H204 WeakPolarHBondContact CA-O 3.48Å; I166-H204 HydrophobicContact CG1-CB 4.19Å; F167-H204 PolarHBondContact N-O 2.96Å; H204-H232 AromaticContact CE1-CD2 3.56Å; H204-H232 AromaticContact ND1-CD2 3.98Å; H204-H232 AromaticContact NE2-CD2 3.92Å; H204-H234 AromaticContact CG-NE2 3.7Å; H204-H234 AromaticContact ND1-CE1 3.73Å; H204-H234 AromaticContact ND1-NE2 3.12Å; H204-H234 PolarHBondContact ND1-NE2 3.14Å; H204-H234 VanDerWaalsContact ND1-NE2 3.12Å; H204-L242 HydrophobicContact CB-CD2 4.02Å; H204-F245 AromaticContact CE1-CD1 3.5Å; H204-F245 AromaticContact CE1-CD2 3.77Å; H204-F245 AromaticContact CE1-CE1 3.95Å; H204-F245 AromaticContact CE1-CG 3.39Å; H204-F245 WeakPolarHBondContact CE1-CG 3.31Å; H204-F246 AromaticContact CD2-CE2 3.95Å; H204-F246 AromaticContact CD2-CZ 3.75Å; H204-F246 AromaticContact CE1-CE2 3.97Å; H204-F246 AromaticContact CG-CE2 3.93Å; H204-F246 AromaticContact ND1-CE2 3.91Å; H204-F246 AromaticContact NE2-CZ 3.82Å
205	L	98.3	Very high	94.8	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.052	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.9	175.7	-49.6	-174.2	0	0	0	107.7	F167 I203 F212 V231 H232 M233 H234	F167-L205 HydrophobicContact CB-CD2 3.72Å; F167-L205 HydrophobicContact CD2-CD2 3.94Å; F167-L205 HydrophobicContact CG-CD2 4.12Å; I203-L205 HydrophobicContact CG2-CD2 3.94Å; L205-F212 HydrophobicContact CD1-CD1 4.43Å; L205-F212 HydrophobicContact CD1-CE1 3.47Å; L205-F212 VanDerWaalsContact CD1-CE1 3.47Å; L205-F212 HydrophobicContact CD1-CZ 3.98Å; L205-V231 HydrophobicContact CD1-CG1 4.24Å; L205-V231 HydrophobicContact CG-CG1 4.43Å; L205-H232 PolarHBondContact N-O 3.37Å; L205-M233 HydrophobicContact CB-CG 4.48Å; L205-M233 HydrophobicContact CD1-CG 4.11Å; L205-H234 PolarHBondContact O-CD2 2.99Å; L205-H234 VanDerWaalsContact O-CD2 3.28Å; L205-H234 PolarHBondContact O-N 2.73Å
206	V	98.4	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	153.9	177.5	-54.9	0	0	0	0	109.8	I166 F167 D168 L169 E208 H234 F238 L242 Y255	I166-V206 HydrophobicContact CG2-CG1 4.31Å; I166-V206 HydrophobicContact CG2-CG2 4.23Å; F167-V206 PolarHBondContact O-N 2.9Å; D168-V206 HydrophobicContact CB-CG2 3.86Å; L169-V206 PolarHBondContact N-O 3.45Å; V206-E208 PolarHBondContact O-N 3.25Å; V206-E208 VanDerWaalsContact O-N 3.11Å; V206-H234 HydrophobicContact CG1-CB 4.1Å; V206-F238 HydrophobicContact CB-CB 3.84Å; V206-F238 HydrophobicContact CB-CD1 3.85Å; V206-F238 HydrophobicContact CB-CD2 3.96Å; V206-F238 HydrophobicContact CB-CE1 4.44Å; V206-F238 HydrophobicContact CB-CG 3.59Å; V206-F238 HydrophobicContact CG1-CB 3.67Å; V206-F238 HydrophobicContact CG1-CD1 4.49Å; V206-F238 HydrophobicContact CG1-CD2 3.82Å; V206-F238 HydrophobicContact CG1-CG 3.73Å; V206-F238 HydrophobicContact CG2-CD1 4.49Å; V206-F238 HydrophobicContact CG2-CD2 4.41Å; V206-F238 HydrophobicContact CG2-CG 4.4Å; V206-L242 HydrophobicContact CG1-CD1 4.02Å; V206-L242 HydrophobicContact CG1-CD2 4.01Å; V206-L242 HydrophobicContact CG1-CG 4.09Å; V206-Y255 HydrophobicContact CG2-CE1 4.26Å
207	N	97.7	Very high	94.2	Very high	31 Å²	31	42.7 Å²	42.7	17%	0.166	21%	0.209	C	C	.	.	S	Bend	trans	53.6	27.2	-175.8	-60.8	-52.4	0	0	0	113.5	D168 L169 K170 P209 G235 F238	D168-N207 WeakPolarHBondContact OD1-CB 3.2Å; D168-N207 PolarHBondContact OD1-ND2 2.99Å; L169-N207 CarbonylContact C-O 3.6Å; K170-N207 HydrophobicContact CB-CB 3.83Å; N207-P209 WeakPolarHBondContact O-CD 3.34Å; N207-G235 PolarHBondContact N-O 3.21Å; N207-F238 VanDerWaalsContact ND2-CE1 3.28Å; N207-F238 WeakPolarHBondContact ND2-CE1 3.37Å; N207-F238 VanDerWaalsContact OD1-CE1 3.24Å; N207-F238 WeakPolarHBondContact OD1-CE1 3.49Å
208	E	95.9	Very high	93.8	Very high	32 Å²	32	45.9 Å²	45.9	15%	0.15	22%	0.224	C	C	.	.			trans	-70.3	119.7	-179	73.9	-69.6	177.1	0	0	111.4	L169 V206 F212 M233 H234 G235	L169-E208 HydrophobicContact CB-CB 4.25Å; L169-E208 HydrophobicContact CD1-CB 3.58Å; L169-E208 HydrophobicContact CG-CB 4.26Å; V206-E208 PolarHBondContact O-N 3.25Å; V206-E208 VanDerWaalsContact O-N 3.11Å; E208-F212 HydrophobicContact CB-CD1 4.23Å; E208-M233 HydrophobicContact CG-CE 3.6Å; E208-M233 WeakPolarHBondContact OE1-CB 3.48Å; E208-H234 PolarHBondContact OE1-N 3.16Å; E208-G235 VanDerWaalsContact CD-N 3.26Å; E208-G235 WeakPolarHBondContact OE1-CA 3.24Å; E208-G235 PolarHBondContact OE1-N 2.81Å; E208-G235 WeakPolarHBondContact OE2-CA 3.28Å; E208-G235 PolarHBondContact OE2-N 2.87Å
209	P	93.1	Very high	93.5	Very high	31 Å²	31	46.3 Å²	46.3	20%	0.201	23%	0.226	C	C	.	.			trans	-73.9	156.5	178	31.1	-35.4	0	0	0	110.5	W172 N207 F211 F212	W172-P209 HydrophobicContact CB-CG 3.95Å; W172-P209 HydrophobicContact CG-CG 4.1Å; N207-P209 WeakPolarHBondContact O-CD 3.34Å; P209-F211 HydrophobicContact CB-CD1 3.67Å; P209-F211 HydrophobicContact CB-CE1 3.37Å; P209-F211 HydrophobicContact CB-CE2 4.46Å; P209-F211 HydrophobicContact CB-CG 4.32Å; P209-F211 HydrophobicContact CB-CZ 3.8Å; P209-F211 HydrophobicContact CG-CD1 4.11Å; P209-F211 HydrophobicContact CG-CD2 4.26Å; P209-F211 HydrophobicContact CG-CE1 3.73Å; P209-F211 HydrophobicContact CG-CE2 3.92Å; P209-F211 HydrophobicContact CG-CG 4.35Å; P209-F211 HydrophobicContact CG-CZ 3.61Å; P209-F211 PolarHBondContact O-N 3.16Å; P209-F212 HydrophobicContact CG-CB 4.22Å; P209-F212 VanDerWaalsContact O-CB 3.24Å; P209-F212 WeakPolarHBondContact O-CB 3.44Å; P209-F212 PolarHBondContact O-N 3.49Å
210	M	85.8	Confident	93.2	Very high	136 Å²	136	52 Å²	52	67%	0.67	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-52.6	-34	177.8	-76.3	-73.2	-80.2	0	0	113.2	F212 R213	M210-F212 VanDerWaalsContact C-N 3.25Å; M210-F212 PolarHBondContact O-N 3.31Å; M210-R213 WeakPolarHBondContact O-CG 3.21Å; M210-R213 PolarHBondContact O-N 3.07Å
211	F	86.6	Confident	93	Very high	115 Å²	115	56 Å²	56	50%	0.504	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-79.4	4.1	178.4	66.2	-94.6	0	0	0	114.8	W172 P209 P214	W172-F211 AromaticContact CD1-CD2 3.72Å; W172-F211 AromaticContact CD1-CE2 3.26Å; W172-F211 HydrophobicContact CG-CE2 4.32Å; W172-F211 AromaticContact NE1-CD2 3.91Å; W172-F211 AromaticContact NE1-CE2 3.82Å; W172-F211 WeakPolarHBondContact O-CZ 3.41Å; P209-F211 HydrophobicContact CB-CD1 3.67Å; P209-F211 HydrophobicContact CB-CE1 3.37Å; P209-F211 HydrophobicContact CB-CE2 4.46Å; P209-F211 HydrophobicContact CB-CG 4.32Å; P209-F211 HydrophobicContact CB-CZ 3.8Å; P209-F211 HydrophobicContact CG-CD1 4.11Å; P209-F211 HydrophobicContact CG-CD2 4.26Å; P209-F211 HydrophobicContact CG-CE1 3.73Å; P209-F211 HydrophobicContact CG-CE2 3.92Å; P209-F211 HydrophobicContact CG-CG 4.35Å; P209-F211 HydrophobicContact CG-CZ 3.61Å; P209-F211 PolarHBondContact O-N 3.16Å; F211-P214 WeakPolarHBondContact O-CD 3.16Å
212	F	90.9	Very high	92.7	Very high	17 Å²	17	55.2 Å²	55.2	8%	0.075	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-77.3	-25.7	166.4	175.4	-103.1	0	0	0	112.3	L169 W172 L205 E208 P209 M210 P214 V215 F216 M233	L169-F212 HydrophobicContact CD1-CB 4.39Å; L169-F212 HydrophobicContact CD1-CD1 3.74Å; L169-F212 HydrophobicContact CD1-CD2 3.54Å; L169-F212 HydrophobicContact CD1-CE1 3.82Å; L169-F212 HydrophobicContact CD1-CE2 3.6Å; L169-F212 HydrophobicContact CD1-CG 3.6Å; L169-F212 HydrophobicContact CD1-CZ 3.74Å; W172-F212 HydrophobicContact CD2-CD2 4.09Å; W172-F212 AromaticContact CE2-CD2 3.83Å; W172-F212 HydrophobicContact CE3-CD2 4.44Å; W172-F212 HydrophobicContact CH2-CD2 4.43Å; W172-F212 HydrophobicContact CH2-CE2 4.44Å; W172-F212 HydrophobicContact CZ2-CD2 4.03Å; W172-F212 HydrophobicContact CZ2-CE2 4.44Å; L205-F212 HydrophobicContact CD1-CD1 4.43Å; L205-F212 HydrophobicContact CD1-CE1 3.47Å; L205-F212 VanDerWaalsContact CD1-CE1 3.47Å; L205-F212 HydrophobicContact CD1-CZ 3.98Å; E208-F212 HydrophobicContact CB-CD1 4.23Å; P209-F212 HydrophobicContact CG-CB 4.22Å; P209-F212 VanDerWaalsContact O-CB 3.24Å; P209-F212 WeakPolarHBondContact O-CB 3.44Å; P209-F212 PolarHBondContact O-N 3.49Å; M210-F212 VanDerWaalsContact C-N 3.25Å; M210-F212 PolarHBondContact O-N 3.31Å; F212-P214 VanDerWaalsContact C-CD 3.42Å; F212-V215 HydrophobicContact CD2-CB 4.48Å; F212-V215 HydrophobicContact CE2-CB 4.45Å; F212-V215 HydrophobicContact CE2-CG1 4.33Å; F212-V215 PolarHBondContact O-N 3.43Å; F212-F216 HydrophobicContact CD1-CB 4.31Å; F212-F216 HydrophobicContact CE1-CB 3.79Å; F212-F216 HydrophobicContact CE1-CG 4.46Å; F212-F216 HydrophobicContact CZ-CB 4.34Å; F212-F216 PolarHBondContact O-N 2.7Å; F212-M233 HydrophobicContact CD1-CE 4.14Å; F212-M233 HydrophobicContact CE1-CE 4.43Å
213	R	87.6	Confident	92.4	Very high	144 Å²	144	55.5 Å²	55.5	54%	0.543	27%	0.274	S	S	.	.	H	α-helix	trans	-52.2	-39.6	-176.2	-67.9	-179.4	177	-158.2	0.2	114.9	M210 V215 F216 T217	M210-R213 WeakPolarHBondContact O-CG 3.21Å; M210-R213 PolarHBondContact O-N 3.07Å; R213-V215 VanDerWaalsContact C-N 3.34Å; R213-V215 PolarHBondContact O-N 3.2Å; R213-F216 PolarHBondContact O-N 2.95Å; R213-T217 WeakPolarHBondContact O-CB 3.42Å; R213-T217 PolarHBondContact O-N 3.49Å; R213-T217 PolarHBondContact O-OG1 2.84Å
214	P	89.3	Confident	92.1	Very high	86 Å²	86	57.4 Å²	57.4	56%	0.558	29%	0.287	S	S	*	.	H	α-helix	trans	-60.8	-40.3	176	-25.1	36	0	0	0	113.2	F211 F212 T217 M218	F211-P214 WeakPolarHBondContact O-CD 3.16Å; F212-P214 VanDerWaalsContact C-CD 3.42Å; P214-T217 WeakPolarHBondContact O-CB 3.47Å; P214-T217 PolarHBondContact O-N 2.79Å; P214-M218 PolarHBondContact O-N 3.24Å
215	V	89.3	Confident	92	Very high	12 Å²	12	62.4 Å²	62.4	7%	0.073	31%	0.314	C	S	.	.	H	α-helix	trans	-67.4	-44.1	178.2	175.3	0	0	0	0	110.6	W172 A177 I180 F212 R213 T217 M218 I219	W172-V215 HydrophobicContact CH2-CG1 4.44Å; W172-V215 HydrophobicContact CZ2-CB 4.38Å; W172-V215 HydrophobicContact CZ2-CG1 4.41Å; W172-V215 HydrophobicContact CZ2-CG2 3.93Å; A177-V215 HydrophobicContact CB-CG2 3.84Å; I180-V215 HydrophobicContact CB-CG1 4.12Å; I180-V215 HydrophobicContact CG1-CG1 4.16Å; I180-V215 HydrophobicContact CG2-CG1 3.94Å; F212-V215 HydrophobicContact CD2-CB 4.48Å; F212-V215 HydrophobicContact CE2-CB 4.45Å; F212-V215 HydrophobicContact CE2-CG1 4.33Å; F212-V215 PolarHBondContact O-N 3.43Å; R213-V215 VanDerWaalsContact C-N 3.34Å; R213-V215 PolarHBondContact O-N 3.2Å; V215-T217 VanDerWaalsContact C-N 3.27Å; V215-T217 PolarHBondContact O-N 3.39Å; V215-M218 WeakPolarHBondContact O-CB 3.48Å; V215-M218 PolarHBondContact O-N 2.88Å; V215-M218 VanDerWaalsContact O-N 3.1Å; V215-I219 HydrophobicContact CG1-CD1 4.08Å; V215-I219 WeakPolarHBondContact O-CG1 3.47Å; V215-I219 PolarHBondContact O-N 3.04Å; V215-I219 VanDerWaalsContact O-N 3.14Å
216	F	90.3	Very high	91.8	Very high	35 Å²	35	68 Å²	68	15%	0.154	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-39.2	173.4	-175.9	-114.8	0	0	0	112.1	F212 R213 M218 I219 R220 V231 M233	F212-F216 HydrophobicContact CD1-CB 4.31Å; F212-F216 HydrophobicContact CE1-CB 3.79Å; F212-F216 HydrophobicContact CE1-CG 4.46Å; F212-F216 HydrophobicContact CZ-CB 4.34Å; F212-F216 PolarHBondContact O-N 2.7Å; R213-F216 PolarHBondContact O-N 2.95Å; F216-M218 VanDerWaalsContact C-N 3.26Å; F216-M218 PolarHBondContact O-N 2.92Å; F216-I219 PolarHBondContact O-N 3.23Å; F216-R220 HydrophobicContact CE1-CB 4.4Å; F216-R220 HydrophobicContact CE1-CG 4.38Å; F216-R220 HydrophobicContact CZ-CB 4.43Å; F216-R220 HydrophobicContact CZ-CG 4.4Å; F216-R220 WeakPolarHBondContact O-CB 3.45Å; F216-R220 PolarHBondContact O-N 2.67Å; F216-V231 HydrophobicContact CE2-CB 4.46Å; F216-V231 HydrophobicContact CE2-CG1 3.83Å; F216-V231 HydrophobicContact CE2-CG2 4.34Å; F216-V231 HydrophobicContact CZ-CB 4.37Å; F216-V231 HydrophobicContact CZ-CG1 3.97Å; F216-M233 HydrophobicContact CD1-SD 4.44Å
217	T	91.1	Very high	91.6	Very high	90 Å²	90	68.3 Å²	68.3	55%	0.552	34%	0.339	S	S	*	.	H	α-helix	trans	-64.9	-29.7	176.9	-56.6	0	0	0	0	112.4	R213 P214 V215 P221	R213-T217 WeakPolarHBondContact O-CB 3.42Å; R213-T217 PolarHBondContact O-N 3.49Å; R213-T217 PolarHBondContact O-OG1 2.84Å; P214-T217 WeakPolarHBondContact O-CB 3.47Å; P214-T217 PolarHBondContact O-N 2.79Å; V215-T217 VanDerWaalsContact C-N 3.27Å; V215-T217 PolarHBondContact O-N 3.39Å; T217-P221 WeakPolarHBondContact O-CD 3.36Å
218	M	90.3	Very high	91.6	Very high	72 Å²	72	69.6 Å²	69.6	36%	0.355	34%	0.344	S	S	.	.	H	α-helix	trans	-71.5	-38.1	172.9	-172.2	-172.3	-64	0	0	112.3	P182 P214 V215 F216 F222	P182-M218 HydrophobicContact CG-SD 4.1Å; P214-M218 PolarHBondContact O-N 3.24Å; V215-M218 WeakPolarHBondContact O-CB 3.48Å; V215-M218 PolarHBondContact O-N 2.88Å; V215-M218 VanDerWaalsContact O-N 3.1Å; F216-M218 VanDerWaalsContact C-N 3.26Å; F216-M218 PolarHBondContact O-N 2.92Å; M218-F222 WeakPolarHBondContact O-CD2 3.47Å; M218-F222 VanDerWaalsContact O-CE2 3.32Å; M218-F222 WeakPolarHBondContact O-CE2 3.5Å
219	I	90	Very high	91.6	Very high	23 Å²	23	75.5 Å²	75.5	12%	0.118	37%	0.371	C	S	.	.	H	α-helix	trans	-79.9	-41.4	-177.6	-62.1	166.7	0	0	0	111.3	I180 A185 V215 F216 P221 F222 L223	I180-I219 HydrophobicContact CG2-CD1 4.44Å; A185-I219 HydrophobicContact CB-CG1 3.9Å; V215-I219 HydrophobicContact CG1-CD1 4.08Å; V215-I219 WeakPolarHBondContact O-CG1 3.47Å; V215-I219 PolarHBondContact O-N 3.04Å; V215-I219 VanDerWaalsContact O-N 3.14Å; F216-I219 PolarHBondContact O-N 3.23Å; I219-P221 VanDerWaalsContact O-N 3.15Å; I219-F222 PolarHBondContact O-N 3.33Å; I219-L223 HydrophobicContact CG2-CD1 4.19Å; I219-L223 HydrophobicContact CG2-CD2 4.38Å; I219-L223 HydrophobicContact CG2-CG 4.2Å
220	R	91.8	Very high	91.8	Very high	138 Å²	138	76.6 Å²	76.6	52%	0.521	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-50.6	-39.5	-171.4	-175.6	179.1	-174.4	-122.8	1.9	115.2	F216 F222 L223 K228	F216-R220 HydrophobicContact CE1-CB 4.4Å; F216-R220 HydrophobicContact CE1-CG 4.38Å; F216-R220 HydrophobicContact CZ-CB 4.43Å; F216-R220 HydrophobicContact CZ-CG 4.4Å; F216-R220 WeakPolarHBondContact O-CB 3.45Å; F216-R220 PolarHBondContact O-N 2.67Å; R220-F222 PolarHBondContact O-N 3.04Å; R220-L223 PolarHBondContact O-N 3.29Å; R220-K228 HydrophobicContact CG-CD 4.22Å; R220-K228 HydrophobicContact CG-CG 4.4Å; R220-K228 WeakPolarHBondContact O-CE 3.39Å
221	P	93.1	Very high	92.3	Very high	92 Å²	92	71.2 Å²	71.2	60%	0.597	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-61.9	-28	178.5	-25.5	35.8	0	0	0	114.2	T217 I219	T217-P221 WeakPolarHBondContact O-CD 3.36Å; I219-P221 VanDerWaalsContact O-N 3.15Å
222	F	91.9	Very high	92.8	Very high	82 Å²	82	68.2 Å²	68.2	36%	0.36	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-85.5	-10.7	180	-56	-63.8	0	0	0	113.1	A185 S189 M218 I219 R220	A185-F222 HydrophobicContact CB-CD2 4.32Å; A185-F222 HydrophobicContact CB-CE2 4.32Å; S189-F222 WeakPolarHBondContact OG-CB 3.31Å; M218-F222 WeakPolarHBondContact O-CD2 3.47Å; M218-F222 VanDerWaalsContact O-CE2 3.32Å; M218-F222 WeakPolarHBondContact O-CE2 3.5Å; I219-F222 PolarHBondContact O-N 3.33Å; R220-F222 PolarHBondContact O-N 3.04Å
223	L	92.4	Very high	93.1	Very high	7 Å²	7	71 Å²	71	4%	0.037	35%	0.348	C	S	.	.	S	Bend	trans	-84	136.1	178.9	-61.2	177.2	0	0	0	110.7	L192 I219 R220 I227 K228	L192-L223 HydrophobicContact CD1-CD2 4.08Å; I219-L223 HydrophobicContact CG2-CD1 4.19Å; I219-L223 HydrophobicContact CG2-CD2 4.38Å; I219-L223 HydrophobicContact CG2-CG 4.2Å; R220-L223 PolarHBondContact O-N 3.29Å; L223-I227 HydrophobicContact CB-CG2 4.47Å; L223-I227 HydrophobicContact CD1-CG2 4.32Å; L223-I227 HydrophobicContact CD2-CG2 4.01Å; L223-K228 HydrophobicContact CB-CG 3.86Å; L223-K228 WeakPolarHBondContact O-CE 3.48Å; L223-K228 PolarHBondContact O-NZ 3.2Å
224	P	92.8	Very high	93.5	Very high	53 Å²	53	65.4 Å²	65.4	34%	0.344	33%	0.327	S	S	.	.			trans	-68.2	154.5	168.6	30.3	-35.2	0	0	0	110.2	K226 I227 K228	P224-K226 PolarHBondContact O-N 2.81Å; P224-K226 VanDerWaalsContact O-N 3.15Å; P224-I227 HydrophobicContact CG-CB 4.08Å; P224-I227 HydrophobicContact CG-CG1 3.69Å; P224-I227 PolarHBondContact O-N 3.32Å; P224-K228 PolarHBondContact O-N 2.88Å
225	D	95.1	Very high	93.8	Very high	105 Å²	105	62.2 Å²	62.2	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-58.7	-34.7	-174.1	-64.7	-25.6	0	0	0	113.2	I227 K228 Q229	D225-I227 VanDerWaalsContact C-N 3.26Å; D225-I227 PolarHBondContact O-N 3.04Å; D225-K228 PolarHBondContact O-N 2.96Å; D225-K228 IonicContact OD1-NZ 2.6Å; D225-K228 PolarHBondContact OD1-NZ 2.6Å; D225-Q229 VanDerWaalsContact O-CG 3.31Å; D225-Q229 WeakPolarHBondContact O-CG 3.46Å; D225-Q229 PolarHBondContact O-N 3.28Å
226	K	94.1	Very high	94	Very high	126 Å²	126	66.1 Å²	66.1	55%	0.548	33%	0.334	S	S	.	.	H	α-helix	trans	-57.2	-36.9	173.2	-175.5	175	-177.9	175.1	0	113	P224 R230	P224-K226 PolarHBondContact O-N 2.81Å; P224-K226 VanDerWaalsContact O-N 3.15Å; K226-R230 VanDerWaalsContact O-CD 3.31Å; K226-R230 WeakPolarHBondContact O-CD 3.46Å; K226-R230 VanDerWaalsContact O-CG 3.27Å; K226-R230 WeakPolarHBondContact O-CG 2.97Å
227	I	95.7	Very high	94.2	Very high	8 Å²	8	70.9 Å²	70.9	4%	0.041	36%	0.361	C	S	.	.	H	α-helix	trans	-81.3	-39.7	177	-62.7	-64	0	0	0	110.3	L192 V200 I203 L223 P224 D225 Q229 R230 V231	L192-I227 WeakPolarHBondContact O-CD1 3.37Å; V200-I227 HydrophobicContact CB-CD1 3.94Å; V200-I227 HydrophobicContact CG1-CD1 4.31Å; I203-I227 HydrophobicContact CD1-CG2 4.28Å; L223-I227 HydrophobicContact CB-CG2 4.47Å; L223-I227 HydrophobicContact CD1-CG2 4.32Å; L223-I227 HydrophobicContact CD2-CG2 4.01Å; P224-I227 HydrophobicContact CG-CB 4.08Å; P224-I227 HydrophobicContact CG-CG1 3.69Å; P224-I227 PolarHBondContact O-N 3.32Å; D225-I227 VanDerWaalsContact C-N 3.26Å; D225-I227 PolarHBondContact O-N 3.04Å; I227-Q229 PolarHBondContact O-N 2.92Å; I227-R230 WeakPolarHBondContact O-CA 3.1Å; I227-R230 WeakPolarHBondContact O-CB 3.39Å; I227-R230 PolarHBondContact O-N 3.44Å; I227-V231 PolarHBondContact O-N 2.78Å
228	K	95.7	Very high	94.4	Very high	58 Å²	58	67.1 Å²	67.1	25%	0.252	34%	0.337	S	S	.	.	H	α-helix	trans	-54.6	-41.3	175.1	-65.1	178.9	-172.5	132.3	0	112.2	R220 L223 P224 D225 R230 V231	R220-K228 HydrophobicContact CG-CD 4.22Å; R220-K228 HydrophobicContact CG-CG 4.4Å; R220-K228 WeakPolarHBondContact O-CE 3.39Å; L223-K228 HydrophobicContact CB-CG 3.86Å; L223-K228 WeakPolarHBondContact O-CE 3.48Å; L223-K228 PolarHBondContact O-NZ 3.2Å; P224-K228 PolarHBondContact O-N 2.88Å; D225-K228 PolarHBondContact O-N 2.96Å; D225-K228 IonicContact OD1-NZ 2.6Å; D225-K228 PolarHBondContact OD1-NZ 2.6Å; K228-R230 PolarHBondContact O-N 2.8Å; K228-V231 PolarHBondContact O-N 3.38Å
229	Q	96.8	Very high	94.7	Very high	155 Å²	155	67.8 Å²	67.8	72%	0.724	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-16.1	177.6	-70.4	170.4	7.7	0	0	113.8	D225 I227	D225-Q229 VanDerWaalsContact O-CG 3.31Å; D225-Q229 WeakPolarHBondContact O-CG 3.46Å; D225-Q229 PolarHBondContact O-N 3.28Å; I227-Q229 PolarHBondContact O-N 2.92Å
230	R	97.2	Very high	94.8	Very high	54 Å²	54	76.4 Å²	76.4	20%	0.204	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	1.9	179	-68.7	172.7	177.7	-178.1	-6.6	112.8	V200 G202 I203 K226 I227 K228 H232	V200-R230 WeakPolarHBondContact O-CD 2.97Å; V200-R230 PolarHBondContact O-NH1 2.99Å; G202-R230 CarbonylContact C-O 3.42Å; G202-R230 WeakPolarHBondContact CA-O 3.33Å; I203-R230 PolarHBondContact N-O 3.1Å; K226-R230 VanDerWaalsContact O-CD 3.31Å; K226-R230 WeakPolarHBondContact O-CD 3.46Å; K226-R230 VanDerWaalsContact O-CG 3.27Å; K226-R230 WeakPolarHBondContact O-CG 2.97Å; I227-R230 WeakPolarHBondContact O-CA 3.1Å; I227-R230 WeakPolarHBondContact O-CB 3.39Å; I227-R230 PolarHBondContact O-N 3.44Å; K228-R230 PolarHBondContact O-N 2.8Å; R230-H232 PolarHBondContact O-CD2 3.43Å; R230-H232 VanDerWaalsContact O-CD2 3.23Å; R230-H232 PolarHBondContact O-NE2 2.91Å
231	V	97.1	Very high	95.1	Very high	23 Å²	23	72 Å²	72	14%	0.139	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.8	173.4	-177.7	0	0	0	0	108.7	I203 L205 F216 I227 K228	I203-V231 HydrophobicContact CB-CG2 4.26Å; I203-V231 HydrophobicContact CD1-CG2 4.26Å; I203-V231 CarbonylContact O-C 3.52Å; I203-V231 WeakPolarHBondContact O-CA 3.35Å; L205-V231 HydrophobicContact CD1-CG1 4.24Å; L205-V231 HydrophobicContact CG-CG1 4.43Å; F216-V231 HydrophobicContact CE2-CB 4.46Å; F216-V231 HydrophobicContact CE2-CG1 3.83Å; F216-V231 HydrophobicContact CE2-CG2 4.34Å; F216-V231 HydrophobicContact CZ-CB 4.37Å; F216-V231 HydrophobicContact CZ-CG1 3.97Å; I227-V231 PolarHBondContact O-N 2.78Å; K228-V231 PolarHBondContact O-N 3.38Å
232	H	97.1	Very high	95.2	Very high	52 Å²	52	67.7 Å²	67.7	24%	0.241	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.8	179.2	-54.8	-82	0	0	0	108.7	I203 H204 L205 R230 H234 F245	I203-H232 PolarHBondContact O-N 3.09Å; H204-H232 AromaticContact CE1-CD2 3.56Å; H204-H232 AromaticContact ND1-CD2 3.98Å; H204-H232 AromaticContact NE2-CD2 3.92Å; L205-H232 PolarHBondContact N-O 3.37Å; R230-H232 PolarHBondContact O-CD2 3.43Å; R230-H232 VanDerWaalsContact O-CD2 3.23Å; R230-H232 PolarHBondContact O-NE2 2.91Å; H232-H234 WeakPolarHBondContact CB-NE2 3.45Å; H232-F245 AromaticContact CE1-CE1 3.65Å; H232-F245 AromaticContact CE1-CZ 3.67Å; H232-F245 AromaticContact ND1-CZ 3.59Å; H232-F245 AromaticContact NE2-CE1 3.77Å
233	M	96.1	Very high	95.3	Very high	77 Å²	77	67 Å²	67	38%	0.379	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.1	175.8	-64.4	-177.7	79.9	0	0	107.4	L205 E208 F212 F216	L205-M233 HydrophobicContact CB-CG 4.48Å; L205-M233 HydrophobicContact CD1-CG 4.11Å; E208-M233 HydrophobicContact CG-CE 3.6Å; E208-M233 WeakPolarHBondContact OE1-CB 3.48Å; F212-M233 HydrophobicContact CD1-CE 4.14Å; F212-M233 HydrophobicContact CE1-CE 4.43Å; F216-M233 HydrophobicContact CD1-SD 4.44Å
234	H	97	Very high	95.4	Very high	25 Å²	25	72.2 Å²	72.2	12%	0.116	36%	0.364	C	S	.	.			trans	-101.3	-19.4	-168.7	-63.6	-82.2	0	0	0	113.2	H204 L205 V206 E208 H232 F238 T241 F245	H204-H234 AromaticContact CG-NE2 3.7Å; H204-H234 AromaticContact ND1-CE1 3.73Å; H204-H234 AromaticContact ND1-NE2 3.12Å; H204-H234 PolarHBondContact ND1-NE2 3.14Å; H204-H234 VanDerWaalsContact ND1-NE2 3.12Å; L205-H234 PolarHBondContact O-CD2 2.99Å; L205-H234 VanDerWaalsContact O-CD2 3.28Å; L205-H234 PolarHBondContact O-N 2.73Å; V206-H234 HydrophobicContact CG1-CB 4.1Å; E208-H234 PolarHBondContact OE1-N 3.16Å; H232-H234 WeakPolarHBondContact CB-NE2 3.45Å; H234-F238 HydrophobicContact CB-CB 3.48Å; H234-F238 VanDerWaalsContact CB-CB 3.48Å; H234-T241 WeakPolarHBondContact CB-OG1 3.01Å; H234-T241 VanDerWaalsContact ND1-CB 3.25Å; H234-T241 WeakPolarHBondContact ND1-CB 3.33Å; H234-T241 PolarHBondContact ND1-OG1 3.46Å; H234-F245 AromaticContact CE1-CE2 3.9Å
235	G	95.8	Very high	95.6	Very high	19 Å²	19	72.2 Å²	72.2	20%	0.196	36%	0.359	C	S	.	.			trans	72.9	-155.5	-175.3	0	0	0	0	0	112.7	N207 E208	N207-G235 PolarHBondContact N-O 3.21Å; E208-G235 VanDerWaalsContact CD-N 3.26Å; E208-G235 WeakPolarHBondContact OE1-CA 3.24Å; E208-G235 PolarHBondContact OE1-N 2.81Å; E208-G235 WeakPolarHBondContact OE2-CA 3.28Å; E208-G235 PolarHBondContact OE2-N 2.87Å
236	T	93.6	Very high	95.7	Very high	95 Å²	95	67.3 Å²	67.3	58%	0.583	33%	0.333	S	S	*	.	S	Bend	trans	-82.4	-26.9	-178.6	50	0	0	0	0	113.4	F238	T236-F238 VanDerWaalsContact O-CD1 3.29Å; T236-F238 WeakPolarHBondContact O-CD1 3.36Å; T236-F238 PolarHBondContact O-N 2.75Å
237	D	93.1	Very high	95.8	Very high	135 Å²	135	63.3 Å²	63.3	72%	0.722	32%	0.32	S	S	*	.			trans	-92.3	40.5	-179.3	-58.1	-33.3	0	0	0	111.3	H239	D237-H239 PolarHBondContact O-N 2.82Å
238	F	96.9	Very high	95.7	Very high	10 Å²	10	66.1 Å²	66.1	4%	0.044	34%	0.339	C	S	.	.	H	α-helix	trans	-74.3	-19.5	-165.8	63.7	-94	0	0	0	114.4	V206 N207 H234 T236 R240 T241 L242 Y255	V206-F238 HydrophobicContact CB-CB 3.84Å; V206-F238 HydrophobicContact CB-CD1 3.85Å; V206-F238 HydrophobicContact CB-CD2 3.96Å; V206-F238 HydrophobicContact CB-CE1 4.44Å; V206-F238 HydrophobicContact CB-CG 3.59Å; V206-F238 HydrophobicContact CG1-CB 3.67Å; V206-F238 HydrophobicContact CG1-CD1 4.49Å; V206-F238 HydrophobicContact CG1-CD2 3.82Å; V206-F238 HydrophobicContact CG1-CG 3.73Å; V206-F238 HydrophobicContact CG2-CD1 4.49Å; V206-F238 HydrophobicContact CG2-CD2 4.41Å; V206-F238 HydrophobicContact CG2-CG 4.4Å; N207-F238 VanDerWaalsContact ND2-CE1 3.28Å; N207-F238 WeakPolarHBondContact ND2-CE1 3.37Å; N207-F238 VanDerWaalsContact OD1-CE1 3.24Å; N207-F238 WeakPolarHBondContact OD1-CE1 3.49Å; H234-F238 HydrophobicContact CB-CB 3.48Å; H234-F238 VanDerWaalsContact CB-CB 3.48Å; T236-F238 VanDerWaalsContact O-CD1 3.29Å; T236-F238 WeakPolarHBondContact O-CD1 3.36Å; T236-F238 PolarHBondContact O-N 2.75Å; F238-R240 VanDerWaalsContact C-N 3.28Å; F238-R240 PolarHBondContact O-N 3.1Å; F238-T241 PolarHBondContact O-N 3.2Å; F238-T241 PolarHBondContact O-OG1 3.4Å; F238-T241 VanDerWaalsContact O-OG1 3.12Å; F238-L242 HydrophobicContact CD2-CD1 3.6Å; F238-L242 HydrophobicContact CD2-CG 4.05Å; F238-L242 HydrophobicContact CE2-CD1 4.1Å; F238-L242 WeakPolarHBondContact O-CB 3.5Å; F238-L242 WeakPolarHBondContact O-CG 3.47Å; F238-L242 PolarHBondContact O-N 3.1Å; F238-Y255 AromaticContact CE2-CD1 3.89Å; F238-Y255 HydrophobicContact CE2-CD1 3.89Å; F238-Y255 HydrophobicContact CZ-CD1 4.41Å
239	H	95.2	Very high	95.7	Very high	87 Å²	87	67.6 Å²	67.6	40%	0.403	35%	0.35	S	S	.	.	H	α-helix	trans	-54.1	-45.2	-176	-66.8	92.1	0	0	0	112.1	D237 S243 E254 Y255 G256	D237-H239 PolarHBondContact O-N 2.82Å; H239-S243 PolarHBondContact O-N 2.97Å; H239-E254 PolarHBondContact NE2-O 3.21Å; H239-E254 VanDerWaalsContact NE2-O 3.1Å; H239-Y255 VanDerWaalsContact CD2-C 3.41Å; H239-G256 PolarHBondContact CD2-N 3.36Å
240	R	93.5	Very high	95.7	Very high	203 Å²	203	60.4 Å²	60.4	77%	0.766	32%	0.317	S	S	*	.	H	α-helix	trans	-64.6	-50	178.1	-178.7	-177.4	173.1	-169.1	-1	111.3	F238 L242 S243	F238-R240 VanDerWaalsContact C-N 3.28Å; F238-R240 PolarHBondContact O-N 3.1Å; R240-L242 VanDerWaalsContact C-N 3.33Å; R240-L242 PolarHBondContact O-N 3.32Å; R240-S243 WeakPolarHBondContact O-CB 3.39Å; R240-S243 PolarHBondContact O-N 2.91Å; R240-S243 PolarHBondContact O-OG 3.42Å
241	T	96.1	Very high	95.7	Very high	47 Å²	47	58 Å²	58	29%	0.288	31%	0.308	S	S	.	.	H	α-helix	trans	-74	-24.3	-174.3	55.2	0	0	0	0	112.8	H234 F238 F245	H234-T241 WeakPolarHBondContact CB-OG1 3.01Å; H234-T241 VanDerWaalsContact ND1-CB 3.25Å; H234-T241 WeakPolarHBondContact ND1-CB 3.33Å; H234-T241 PolarHBondContact ND1-OG1 3.46Å; F238-T241 PolarHBondContact O-N 3.2Å; F238-T241 PolarHBondContact O-OG1 3.4Å; F238-T241 VanDerWaalsContact O-OG1 3.12Å; T241-F245 WeakPolarHBondContact O-CD2 3.23Å; T241-F245 WeakPolarHBondContact O-CE2 3.19Å
242	L	96.8	Very high	95.8	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-68.2	-35.8	169.4	-78.8	-169.2	0	0	0	112.2	H204 V206 F238 R240 D244 F245 F246 L251 Y255	H204-L242 HydrophobicContact CB-CD2 4.02Å; V206-L242 HydrophobicContact CG1-CD1 4.02Å; V206-L242 HydrophobicContact CG1-CD2 4.01Å; V206-L242 HydrophobicContact CG1-CG 4.09Å; F238-L242 HydrophobicContact CD2-CD1 3.6Å; F238-L242 HydrophobicContact CD2-CG 4.05Å; F238-L242 HydrophobicContact CE2-CD1 4.1Å; F238-L242 WeakPolarHBondContact O-CB 3.5Å; F238-L242 WeakPolarHBondContact O-CG 3.47Å; F238-L242 PolarHBondContact O-N 3.1Å; R240-L242 VanDerWaalsContact C-N 3.33Å; R240-L242 PolarHBondContact O-N 3.32Å; L242-D244 PolarHBondContact O-N 3.16Å; L242-F245 PolarHBondContact O-N 3.11Å; L242-F246 HydrophobicContact CD2-CD2 4.23Å; L242-F246 HydrophobicContact CD2-CE2 4.01Å; L242-F246 WeakPolarHBondContact O-CD2 3.32Å; L242-F246 PolarHBondContact O-N 3Å; L242-F246 VanDerWaalsContact O-N 3.08Å; L242-L251 HydrophobicContact CB-CD1 4.14Å; L242-L251 HydrophobicContact CD1-CD1 4.24Å; L242-Y255 HydrophobicContact CD1-CD1 4.38Å
243	S	94.2	Very high	95.8	Very high	67 Å²	67	58 Å²	58	47%	0.469	31%	0.312	S	S	.	.	H	α-helix	trans	-62.3	-23.1	-179.6	76	0	0	0	0	113.4	H239 R240 F245	H239-S243 PolarHBondContact O-N 2.97Å; R240-S243 WeakPolarHBondContact O-CB 3.39Å; R240-S243 PolarHBondContact O-N 2.91Å; R240-S243 PolarHBondContact O-OG 3.42Å; S243-F245 PolarHBondContact O-N 2.91Å
244	D	94.7	Very high	95.9	Very high	117 Å²	117	58.6 Å²	58.6	63%	0.626	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.7	173	-63.1	-30.2	0	0	0	112.7	L242	L242-D244 PolarHBondContact O-N 3.16Å
245	F	96.8	Very high	95.9	Very high	54 Å²	54	57.6 Å²	57.6	24%	0.237	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-24.3	-174.9	-62.4	-88.7	0	0	0	114.3	H118 K164 H204 H232 H234 T241 L242 S243	H118-F245 PolarHBondContact CE1-O 2.91Å; H118-F245 PolarHBondContact ND1-O 3.05Å; K164-F245 PolarHBondContact NZ-O 2.91Å; H204-F245 AromaticContact CE1-CD1 3.5Å; H204-F245 AromaticContact CE1-CD2 3.77Å; H204-F245 AromaticContact CE1-CE1 3.95Å; H204-F245 AromaticContact CE1-CG 3.39Å; H204-F245 WeakPolarHBondContact CE1-CG 3.31Å; H232-F245 AromaticContact CE1-CE1 3.65Å; H232-F245 AromaticContact CE1-CZ 3.67Å; H232-F245 AromaticContact ND1-CZ 3.59Å; H232-F245 AromaticContact NE2-CE1 3.77Å; H234-F245 AromaticContact CE1-CE2 3.9Å; T241-F245 WeakPolarHBondContact O-CD2 3.23Å; T241-F245 WeakPolarHBondContact O-CE2 3.19Å; L242-F245 PolarHBondContact O-N 3.11Å; S243-F245 PolarHBondContact O-N 2.91Å
246	F	97.4	Very high	95.9	Very high	2 Å²	2	59 Å²	59	1%	0.009	32%	0.324	C	S	.	.	S	Bend	trans	-134	130.9	-174.3	-54.3	-79.6	0	0	0	109.8	D117 V123 K164 I166 H204 L242 L251	D117-F246 HydrophobicContact CB-CD1 4.08Å; D117-F246 HydrophobicContact CB-CE1 4.47Å; V123-F246 HydrophobicContact CB-CE1 4.5Å; V123-F246 HydrophobicContact CG1-CD1 4.22Å; V123-F246 HydrophobicContact CG1-CE1 3.75Å; V123-F246 HydrophobicContact CG1-CZ 4.42Å; V123-F246 HydrophobicContact CG2-CD1 4.09Å; V123-F246 HydrophobicContact CG2-CE1 3.88Å; K164-F246 HydrophobicContact CB-CE1 3.88Å; K164-F246 HydrophobicContact CB-CZ 3.9Å; K164-F246 HydrophobicContact CD-CE1 3.6Å; K164-F246 HydrophobicContact CD-CZ 3.74Å; K164-F246 HydrophobicContact CG-CE1 4.39Å; K164-F246 HydrophobicContact CG-CZ 4.48Å; I166-F246 HydrophobicContact CD1-CD2 4.35Å; I166-F246 HydrophobicContact CD1-CE2 3.89Å; I166-F246 HydrophobicContact CD1-CZ 4.02Å; I166-F246 HydrophobicContact CG1-CE2 4.12Å; I166-F246 HydrophobicContact CG1-CZ 4.02Å; H204-F246 AromaticContact CD2-CE2 3.95Å; H204-F246 AromaticContact CD2-CZ 3.75Å; H204-F246 AromaticContact CE1-CE2 3.97Å; H204-F246 AromaticContact CG-CE2 3.93Å; H204-F246 AromaticContact ND1-CE2 3.91Å; H204-F246 AromaticContact NE2-CZ 3.82Å; L242-F246 HydrophobicContact CD2-CD2 4.23Å; L242-F246 HydrophobicContact CD2-CE2 4.01Å; L242-F246 WeakPolarHBondContact O-CD2 3.32Å; L242-F246 PolarHBondContact O-N 3Å; L242-F246 VanDerWaalsContact O-N 3.08Å; F246-L251 HydrophobicContact CB-CD1 3.79Å; F246-L251 HydrophobicContact CB-CD2 3.89Å; F246-L251 HydrophobicContact CB-CG 3.67Å; F246-L251 HydrophobicContact CD1-CD2 4.42Å; F246-L251 HydrophobicContact CD2-CD1 4.33Å; F246-L251 HydrophobicContact CD2-CD2 4.19Å; F246-L251 HydrophobicContact CG-CD1 4.36Å; F246-L251 HydrophobicContact CG-CD2 3.92Å; F246-L251 HydrophobicContact CG-CG 4.26Å
247	S	94.9	Very high	96.1	Very high	41 Å²	41	55 Å²	55	29%	0.287	30%	0.302	S	S	.	.			trans	-66.6	150.6	174.8	-54.7	0	0	0	0	110.8	D249 V250	S247-D249 VanDerWaalsContact C-N 3.27Å; S247-D249 WeakPolarHBondContact CB-OD1 3.44Å; S247-D249 PolarHBondContact O-N 3.35Å; S247-V250 WeakPolarHBondContact O-CB 3.39Å; S247-V250 PolarHBondContact O-N 3.1Å
248	P	94.1	Very high	96.3	Very high	68 Å²	68	56.3 Å²	56.3	44%	0.442	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-39.2	-178.2	-27.6	35.5	0	0	0	113.8	V250 L251 G257 E258	P248-V250 PolarHBondContact O-N 3.12Å; P248-V250 VanDerWaalsContact O-N 3.15Å; P248-L251 PolarHBondContact O-N 3.41Å; P248-G257 CarbonylContact O-C 3.33Å; P248-G257 WeakPolarHBondContact O-CA 3.46Å; P248-E258 HydrophobicContact CB-CG 4.35Å; P248-E258 PolarHBondContact O-N 3.12Å
249	D	95.5	Very high	96.2	Very high	89 Å²	89	56.6 Å²	56.6	48%	0.476	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.4	179.2	63.9	-58.7	0	0	0	114.2	S247	S247-D249 VanDerWaalsContact C-N 3.27Å; S247-D249 WeakPolarHBondContact CB-OD1 3.44Å; S247-D249 PolarHBondContact O-N 3.35Å
250	V	96.8	Very high	96.3	Very high	4 Å²	4	56 Å²	56	2%	0.024	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-42.2	179.7	178.9	0	0	0	0	111.4	L113 Q115 R116 V123 S247 P248	L113-V250 HydrophobicContact CD1-CG1 4.07Å; L113-V250 VanDerWaalsContact CD1-O 3.26Å; L113-V250 WeakPolarHBondContact CD1-O 3.41Å; Q115-V250 HydrophobicContact CB-CB 4.39Å; Q115-V250 HydrophobicContact CB-CG1 4.34Å; Q115-V250 HydrophobicContact CB-CG2 4.12Å; R116-V250 VanDerWaalsContact O-CG2 3.26Å; R116-V250 WeakPolarHBondContact O-CG2 3.39Å; V123-V250 HydrophobicContact CG2-CG1 4.07Å; S247-V250 WeakPolarHBondContact O-CB 3.39Å; S247-V250 PolarHBondContact O-N 3.1Å; P248-V250 PolarHBondContact O-N 3.12Å; P248-V250 VanDerWaalsContact O-N 3.15Å
251	L	98.1	Very high	96.5	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	28%	0.283	C	S	.	.	S	Bend	trans	-84.8	146.4	-171.5	-66.6	-178.5	0	0	0	112.1	L113 I166 L242 F246 P248 G257 E258 G259	L113-L251 HydrophobicContact CD1-CD2 4.17Å; I166-L251 HydrophobicContact CD1-CD2 3.72Å; L242-L251 HydrophobicContact CB-CD1 4.14Å; L242-L251 HydrophobicContact CD1-CD1 4.24Å; F246-L251 HydrophobicContact CB-CD1 3.79Å; F246-L251 HydrophobicContact CB-CD2 3.89Å; F246-L251 HydrophobicContact CB-CG 3.67Å; F246-L251 HydrophobicContact CD1-CD2 4.42Å; F246-L251 HydrophobicContact CD2-CD1 4.33Å; F246-L251 HydrophobicContact CD2-CD2 4.19Å; F246-L251 HydrophobicContact CG-CD1 4.36Å; F246-L251 HydrophobicContact CG-CD2 3.92Å; F246-L251 HydrophobicContact CG-CG 4.26Å; P248-L251 PolarHBondContact O-N 3.41Å; L251-G257 CarbonylContact O-C 3.53Å; L251-G257 VanDerWaalsContact O-CA 3.26Å; L251-G257 WeakPolarHBondContact O-CA 3.39Å; L251-E258 PolarHBondContact O-N 2.86Å; L251-G259 WeakPolarHBondContact O-CA 3.29Å; L251-G259 PolarHBondContact O-N 3.14Å
252	P	98	Very high	96.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	27%	0.27	C	S	.	.			trans	-62.5	158.3	167.1	-22.2	33.5	0	0	0	112.4	L113 I125 E254 Y255 G256 G257 L260 I262	L113-P252 HydrophobicContact CD2-CG 3.91Å; I125-P252 HydrophobicContact CD1-CG 4.13Å; P252-E254 VanDerWaalsContact CB-OE2 3.31Å; P252-E254 WeakPolarHBondContact CB-OE2 3.46Å; P252-E254 PolarHBondContact O-N 3.39Å; P252-Y255 HydrophobicContact CB-CD2 4.06Å; P252-Y255 HydrophobicContact CG-CD2 4.02Å; P252-Y255 CarbonylContact O-C 3.53Å; P252-Y255 WeakPolarHBondContact O-CA 3.46Å; P252-Y255 PolarHBondContact O-N 2.82Å; P252-G256 PolarHBondContact O-N 3.22Å; P252-G257 PolarHBondContact O-N 3.19Å; P252-G257 VanDerWaalsContact O-N 3.15Å; P252-L260 WeakPolarHBondContact CA-O 3.33Å; P252-L260 VanDerWaalsContact CB-O 3.22Å; P252-L260 WeakPolarHBondContact CB-O 3.4Å; P252-I262 HydrophobicContact CB-CB 4.27Å; P252-I262 HydrophobicContact CG-CB 4.47Å; P252-I262 HydrophobicContact CG-CD1 4.2Å
253	P	97.9	Very high	96.6	Very high	72 Å²	72	51.4 Å²	51.4	47%	0.468	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-56.6	-34.4	177.1	-26.4	36.7	0	0	0	113.9	Y255 G256 G257 G259	P253-Y255 PolarHBondContact O-N 2.84Å; P253-Y255 VanDerWaalsContact O-N 3.15Å; P253-G256 PolarHBondContact O-N 3.36Å; P253-G257 WeakPolarHBondContact CA-O 3.21Å; P253-G259 WeakPolarHBondContact CD-O 3.45Å
254	E	97.4	Very high	96.8	Very high	91 Å²	91	53.5 Å²	53.5	43%	0.425	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-61.9	-23.8	176.9	-61.6	82.8	177.2	0	0	112.8	H239 P252 I262	H239-E254 PolarHBondContact NE2-O 3.21Å; H239-E254 VanDerWaalsContact NE2-O 3.1Å; P252-E254 VanDerWaalsContact CB-OE2 3.31Å; P252-E254 WeakPolarHBondContact CB-OE2 3.46Å; P252-E254 PolarHBondContact O-N 3.39Å; E254-I262 VanDerWaalsContact CD-CG2 3.42Å; E254-I262 HydrophobicContact CG-CG2 3.9Å; E254-I262 WeakPolarHBondContact OE1-CG2 3.4Å; E254-I262 PolarHBondContact OE2-N 3.21Å
255	Y	97.8	Very high	97	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.016	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-105.8	11.2	177.5	-59.3	-83.2	0	0	0	113.2	I125 I166 D168 V206 F238 H239 L242 P252 P253 I262	I125-Y255 HydrophobicContact CD1-CD2 3.89Å; I125-Y255 HydrophobicContact CD1-CE2 3.77Å; I125-Y255 HydrophobicContact CG2-CE1 4.48Å; I125-Y255 HydrophobicContact CG2-CE2 4.03Å; I125-Y255 WeakPolarHBondContact CG2-OH 3.31Å; I166-Y255 HydrophobicContact CG2-CE1 4.5Å; D168-Y255 HydrophobicContact CB-CE1 4.05Å; V206-Y255 HydrophobicContact CG2-CE1 4.26Å; F238-Y255 AromaticContact CE2-CD1 3.89Å; F238-Y255 HydrophobicContact CE2-CD1 3.89Å; F238-Y255 HydrophobicContact CZ-CD1 4.41Å; H239-Y255 VanDerWaalsContact CD2-C 3.41Å; L242-Y255 HydrophobicContact CD1-CD1 4.38Å; P252-Y255 HydrophobicContact CB-CD2 4.06Å; P252-Y255 HydrophobicContact CG-CD2 4.02Å; P252-Y255 CarbonylContact O-C 3.53Å; P252-Y255 WeakPolarHBondContact O-CA 3.46Å; P252-Y255 PolarHBondContact O-N 2.82Å; P253-Y255 PolarHBondContact O-N 2.84Å; P253-Y255 VanDerWaalsContact O-N 3.15Å; Y255-I262 HydrophobicContact CE2-CB 4.43Å; Y255-I262 HydrophobicContact CE2-CD1 3.94Å; Y255-I262 HydrophobicContact CE2-CG1 4.02Å
256	G	95.9	Very high	97.1	Very high	48 Å²	48	45.6 Å²	45.6	50%	0.495	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	19	172.9	0	0	0	0	0	114.8	H239 P252 P253	H239-G256 PolarHBondContact CD2-N 3.36Å; P252-G256 PolarHBondContact O-N 3.22Å; P253-G256 PolarHBondContact O-N 3.36Å
257	G	96.7	Very high	97.1	Very high	12 Å²	12	51.2 Å²	51.2	12%	0.124	29%	0.288	C	S	.	.	S	Bend	trans	-105.7	-168.6	173.2	0	0	0	0	0	113.9	P248 L251 P252 P253	P248-G257 CarbonylContact O-C 3.33Å; P248-G257 WeakPolarHBondContact O-CA 3.46Å; L251-G257 CarbonylContact O-C 3.53Å; L251-G257 VanDerWaalsContact O-CA 3.26Å; L251-G257 WeakPolarHBondContact O-CA 3.39Å; P252-G257 PolarHBondContact O-N 3.19Å; P252-G257 VanDerWaalsContact O-N 3.15Å; P253-G257 WeakPolarHBondContact CA-O 3.21Å
258	E	97	Very high	97.3	Very high	162 Å²	162	51.8 Å²	51.8	76%	0.757	30%	0.295	S	S	*	.	S	Bend	trans	-121.6	6.7	-177.6	-59.9	179.4	176	0	0	111.5	P248 L251	P248-E258 HydrophobicContact CB-CG 4.35Å; P248-E258 PolarHBondContact O-N 3.12Å; L251-E258 PolarHBondContact O-N 2.86Å
259	G	95.6	Very high	97.5	Very high	16 Å²	16	49.2 Å²	49.2	17%	0.165	28%	0.277	C	S	.	.	S	Bend	trans	-72.4	-170	177.4	0	0	0	0	0	113.4	L251 P253	L251-G259 WeakPolarHBondContact O-CA 3.29Å; L251-G259 PolarHBondContact O-N 3.14Å; P253-G259 WeakPolarHBondContact CD-O 3.45Å
260	L	96.4	Very high	97.7	Very high	73 Å²	73	45.7 Å²	45.7	38%	0.382	26%	0.258	S	S	.	.	S	Bend	trans	-64.6	147.1	177.2	-63.1	179.3	0	0	0	111.6	P114 P252 V265	P114-L260 HydrophobicContact CG-CD1 3.86Å; P252-L260 WeakPolarHBondContact CA-O 3.33Å; P252-L260 VanDerWaalsContact CB-O 3.22Å; P252-L260 WeakPolarHBondContact CB-O 3.4Å; L260-V265 HydrophobicContact CB-CG2 3.6Å
261	G	98.1	Very high	97.7	Very high	23 Å²	23	50.3 Å²	50.3	24%	0.237	28%	0.28	C	S	.	.			trans	-61.3	145.5	179.1	0	0	0	0	0	112.8	E263 E264 V265	G261-E263 VanDerWaalsContact C-N 3.27Å; G261-E263 PolarHBondContact O-N 2.7Å; G261-E263 VanDerWaalsContact O-N 3.17Å; G261-E264 WeakPolarHBondContact O-CB 3.4Å; G261-E264 PolarHBondContact O-N 2.62Å; G261-E264 VanDerWaalsContact O-N 3.13Å; G261-V265 WeakPolarHBondContact O-CG2 3.33Å; G261-V265 PolarHBondContact O-N 2.95Å; G261-V265 VanDerWaalsContact O-N 3.12Å
262	I	98.2	Very high	97.8	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-35.5	-171.1	-170.6	54.8	0	0	0	113.7	A111 I125 P252 E254 Y255 C266	A111-I262 HydrophobicContact CB-CD1 3.93Å; I125-I262 HydrophobicContact CB-CD1 4.38Å; I125-I262 HydrophobicContact CD1-CD1 4.11Å; I125-I262 HydrophobicContact CG2-CD1 4.17Å; P252-I262 HydrophobicContact CB-CB 4.27Å; P252-I262 HydrophobicContact CG-CB 4.47Å; P252-I262 HydrophobicContact CG-CD1 4.2Å; E254-I262 VanDerWaalsContact CD-CG2 3.42Å; E254-I262 HydrophobicContact CG-CG2 3.9Å; E254-I262 WeakPolarHBondContact OE1-CG2 3.4Å; E254-I262 PolarHBondContact OE2-N 3.21Å; Y255-I262 HydrophobicContact CE2-CB 4.43Å; Y255-I262 HydrophobicContact CE2-CD1 3.94Å; Y255-I262 HydrophobicContact CE2-CG1 4.02Å; I262-C266 WeakPolarHBondContact O-CB 3.44Å; I262-C266 PolarHBondContact O-N 3.06Å; I262-C266 PolarHBondContact O-SG 3.35Å
263	E	97.9	Very high	97.8	Very high	129 Å²	129	53.3 Å²	53.3	60%	0.603	29%	0.294	S	S	*	.	H	α-helix	trans	-68.4	-41.6	179.7	-64.9	-171.7	168.7	0	0	111.8	G261 C266 Q267	G261-E263 VanDerWaalsContact C-N 3.27Å; G261-E263 PolarHBondContact O-N 2.7Å; G261-E263 VanDerWaalsContact O-N 3.17Å; E263-C266 PolarHBondContact O-N 3.3Å; E263-Q267 WeakPolarHBondContact O-CB 3.32Å; E263-Q267 PolarHBondContact O-N 2.98Å
264	E	98.1	Very high	97.8	Very high	110 Å²	110	52.9 Å²	52.9	51%	0.514	28%	0.284	S	S	.	.	H	α-helix	trans	-61.7	-45.4	176.4	-176.2	-178.9	178.2	0	0	110.8	G261 C266 Q267 A268	G261-E264 WeakPolarHBondContact O-CB 3.4Å; G261-E264 PolarHBondContact O-N 2.62Å; G261-E264 VanDerWaalsContact O-N 3.13Å; E264-C266 PolarHBondContact O-N 3.2Å; E264-Q267 PolarHBondContact O-N 2.99Å; E264-A268 WeakPolarHBondContact O-CB 3.48Å; E264-A268 PolarHBondContact O-N 2.83Å
265	V	98.2	Very high	97.9	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.024	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-39.2	178.5	-174.9	0	0	0	0	111.6	A111 V112 L113 L260 G261 Q267 A268 W269	A111-V265 HydrophobicContact CB-CB 4.28Å; A111-V265 HydrophobicContact CB-CG1 3.8Å; V112-V265 VanDerWaalsContact O-CG1 3.26Å; V112-V265 WeakPolarHBondContact O-CG1 3.33Å; L113-V265 HydrophobicContact CD2-CG1 3.95Å; L260-V265 HydrophobicContact CB-CG2 3.6Å; G261-V265 WeakPolarHBondContact O-CG2 3.33Å; G261-V265 PolarHBondContact O-N 2.95Å; G261-V265 VanDerWaalsContact O-N 3.12Å; V265-Q267 VanDerWaalsContact C-N 3.33Å; V265-Q267 PolarHBondContact O-N 3.25Å; V265-A268 PolarHBondContact O-N 3.18Å; V265-W269 WeakPolarHBondContact O-CB 3.46Å; V265-W269 PolarHBondContact O-N 3.3Å
266	C	98.7	Very high	97.9	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-43	173.7	-71	0	0	0	0	111.6	S108 I262 E263 E264 T270	S108-C266 VanDerWaalsContact CB-SG 3.58Å; S108-C266 WeakPolarHBondContact OG-CB 3.08Å; I262-C266 WeakPolarHBondContact O-CB 3.44Å; I262-C266 PolarHBondContact O-N 3.06Å; I262-C266 PolarHBondContact O-SG 3.35Å; E263-C266 PolarHBondContact O-N 3.3Å; E264-C266 PolarHBondContact O-N 3.2Å; C266-T270 WeakPolarHBondContact O-CB 3.33Å; C266-T270 PolarHBondContact O-N 3.04Å; C266-T270 PolarHBondContact O-OG1 2.87Å
267	Q	98.4	Very high	98	Very high	121 Å²	121	55.1 Å²	55.1	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-65.2	-46.2	178.4	-177.8	176.2	-5.2	0	0	111.4	E263 E264 V265 W269 T270 Q271	E263-Q267 WeakPolarHBondContact O-CB 3.32Å; E263-Q267 PolarHBondContact O-N 2.98Å; E264-Q267 PolarHBondContact O-N 2.99Å; V265-Q267 VanDerWaalsContact C-N 3.33Å; V265-Q267 PolarHBondContact O-N 3.25Å; Q267-W269 PolarHBondContact O-N 2.99Å; Q267-T270 WeakPolarHBondContact O-CB 3.46Å; Q267-T270 PolarHBondContact O-N 3.33Å; Q267-Q271 WeakPolarHBondContact O-CG 3.49Å; Q267-Q271 PolarHBondContact O-N 2.86Å
268	A	98.5	Very high	98	Very high	53 Å²	53	59.8 Å²	59.8	44%	0.438	31%	0.306	S	S	.	.	H	α-helix	trans	-59.1	-46	176.9	0	0	0	0	0	111.3	E264 V265 T270 Q271 E272	E264-A268 WeakPolarHBondContact O-CB 3.48Å; E264-A268 PolarHBondContact O-N 2.83Å; V265-A268 PolarHBondContact O-N 3.18Å; A268-T270 VanDerWaalsContact C-N 3.35Å; A268-T270 PolarHBondContact O-N 3.37Å; A268-Q271 WeakPolarHBondContact O-CB 3.2Å; A268-Q271 PolarHBondContact O-N 3.14Å; A268-E272 PolarHBondContact O-N 3.36Å
269	W	98.7	Very high	98	Very high	14 Å²	14	53.6 Å²	53.6	5%	0.053	28%	0.278	C	S	.	.	H	α-helix	trans	-68	-34.7	177.9	-168.7	-113.7	0	0	0	113	H110 V112 T148 I151 I152 V265 Q267 Q271 E272 L273	H110-W269 AromaticContact CD2-CD1 3.52Å; H110-W269 AromaticContact CD2-NE1 3.57Å; H110-W269 AromaticContact NE2-CD1 3.75Å; H110-W269 AromaticContact NE2-NE1 3.45Å; H110-W269 PolarHBondContact NE2-NE1 3.22Å; V112-W269 HydrophobicContact CB-CD2 3.59Å; V112-W269 HydrophobicContact CB-CE3 3.65Å; V112-W269 HydrophobicContact CB-CG 4.05Å; V112-W269 HydrophobicContact CB-CH2 4.35Å; V112-W269 HydrophobicContact CB-CZ2 4.31Å; V112-W269 HydrophobicContact CB-CZ3 4.03Å; V112-W269 HydrophobicContact CG1-CE3 4.42Å; V112-W269 HydrophobicContact CG1-CZ3 4.35Å; V112-W269 HydrophobicContact CG2-CD2 3.44Å; V112-W269 VanDerWaalsContact CG2-CD2 3.44Å; V112-W269 HydrophobicContact CG2-CE3 3.96Å; V112-W269 HydrophobicContact CG2-CG 3.85Å; V112-W269 HydrophobicContact CG2-CH2 4.11Å; V112-W269 HydrophobicContact CG2-CZ2 3.63Å; V112-W269 HydrophobicContact CG2-CZ3 4.25Å; T148-W269 HydrophobicContact CG2-CZ2 3.69Å; T148-W269 PolarHBondContact OG1-NE1 2.94Å; I151-W269 HydrophobicContact CB-CH2 4.42Å; I151-W269 HydrophobicContact CG2-CH2 3.91Å; I152-W269 HydrophobicContact CG2-CH2 3.75Å; I152-W269 HydrophobicContact CG2-CZ2 4.14Å; V265-W269 WeakPolarHBondContact O-CB 3.46Å; V265-W269 PolarHBondContact O-N 3.3Å; Q267-W269 PolarHBondContact O-N 2.99Å; W269-Q271 VanDerWaalsContact C-N 3.32Å; W269-Q271 PolarHBondContact O-N 2.82Å; W269-E272 HydrophobicContact CE3-CB 3.97Å; W269-E272 HydrophobicContact CE3-CG 3.97Å; W269-E272 HydrophobicContact CH2-CG 4.12Å; W269-E272 HydrophobicContact CZ3-CB 4.2Å; W269-E272 HydrophobicContact CZ3-CG 3.65Å; W269-E272 PolarHBondContact O-N 3.11Å; W269-L273 WeakPolarHBondContact O-CG 3.15Å; W269-L273 PolarHBondContact O-N 2.85Å
270	T	98.7	Very high	98.1	Very high	14 Å²	14	52.9 Å²	52.9	9%	0.086	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-44.6	172.5	-62.7	0	0	0	0	110.7	F102 L105 C266 Q267 A268 L273 F274	F102-T270 HydrophobicContact CE2-CG2 4.43Å; L105-T270 HydrophobicContact CB-CG2 3.87Å; L105-T270 HydrophobicContact CD1-CG2 4.22Å; C266-T270 WeakPolarHBondContact O-CB 3.33Å; C266-T270 PolarHBondContact O-N 3.04Å; C266-T270 PolarHBondContact O-OG1 2.87Å; Q267-T270 WeakPolarHBondContact O-CB 3.46Å; Q267-T270 PolarHBondContact O-N 3.33Å; A268-T270 VanDerWaalsContact C-N 3.35Å; A268-T270 PolarHBondContact O-N 3.37Å; T270-L273 PolarHBondContact O-N 3.01Å; T270-F274 HydrophobicContact CG2-CD2 3.97Å; T270-F274 HydrophobicContact CG2-CE2 3.87Å; T270-F274 VanDerWaalsContact O-CD2 3.25Å; T270-F274 WeakPolarHBondContact O-CD2 3.1Å; T270-F274 PolarHBondContact O-N 2.94Å; T270-F274 VanDerWaalsContact O-N 3.13Å
271	Q	98.5	Very high	98.2	Very high	102 Å²	102	54.2 Å²	54.2	48%	0.477	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-43.6	176.4	-71	174.8	-5.5	0	0	112	Q267 A268 W269 L273 F274 Q275	Q267-Q271 WeakPolarHBondContact O-CG 3.49Å; Q267-Q271 PolarHBondContact O-N 2.86Å; A268-Q271 WeakPolarHBondContact O-CB 3.2Å; A268-Q271 PolarHBondContact O-N 3.14Å; W269-Q271 VanDerWaalsContact C-N 3.32Å; W269-Q271 PolarHBondContact O-N 2.82Å; Q271-L273 VanDerWaalsContact C-N 3.34Å; Q271-L273 PolarHBondContact O-N 2.91Å; Q271-F274 PolarHBondContact O-N 3.26Å; Q271-F274 VanDerWaalsContact O-N 3.13Å; Q271-Q275 WeakPolarHBondContact O-CG 3.13Å; Q271-Q275 PolarHBondContact O-N 2.89Å
272	E	98.5	Very high	98.1	Very high	67 Å²	67	57 Å²	57	31%	0.313	28%	0.28	S	S	.	.	H	α-helix	trans	-57.9	-44.8	175.3	-178.8	59.1	-138.4	0	0	111.9	A268 W269 F274 Q275 S276	A268-E272 PolarHBondContact O-N 3.36Å; W269-E272 HydrophobicContact CE3-CB 3.97Å; W269-E272 HydrophobicContact CE3-CG 3.97Å; W269-E272 HydrophobicContact CH2-CG 4.12Å; W269-E272 HydrophobicContact CZ3-CB 4.2Å; W269-E272 HydrophobicContact CZ3-CG 3.65Å; W269-E272 PolarHBondContact O-N 3.11Å; E272-F274 VanDerWaalsContact C-N 3.3Å; E272-F274 PolarHBondContact O-N 2.85Å; E272-Q275 PolarHBondContact O-N 3.19Å; E272-S276 WeakPolarHBondContact O-CB 3.29Å; E272-S276 PolarHBondContact O-N 2.99Å; E272-S276 PolarHBondContact O-OG 3.11Å; E272-S276 PolarHBondContact OE1-OG 3.09Å
273	L	98.5	Very high	98.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-42.3	175.7	-73.7	168.4	0	0	0	111.7	P98 L105 M147 I151 W269 T270 Q271 S276 E277 L280	P98-L273 HydrophobicContact CB-CB 4.01Å; P98-L273 HydrophobicContact CG-CB 4.41Å; P98-L273 WeakPolarHBondContact CG-O 3.48Å; L105-L273 HydrophobicContact CD1-CD1 3.96Å; L105-L273 HydrophobicContact CD2-CD1 3.89Å; M147-L273 HydrophobicContact CB-CD2 3.89Å; I151-L273 HydrophobicContact CD1-CD2 3.71Å; W269-L273 WeakPolarHBondContact O-CG 3.15Å; W269-L273 PolarHBondContact O-N 2.85Å; T270-L273 PolarHBondContact O-N 3.01Å; Q271-L273 VanDerWaalsContact C-N 3.34Å; Q271-L273 PolarHBondContact O-N 2.91Å; L273-S276 CarbonylContact O-C 3.41Å; L273-S276 PolarHBondContact O-N 3.07Å; L273-E277 PolarHBondContact O-N 2.91Å; L273-E277 VanDerWaalsContact O-N 3.12Å; L273-L280 HydrophobicContact CD2-CD1 4.35Å
274	F	98.5	Very high	98	Very high	63 Å²	63	51.4 Å²	51.4	28%	0.276	26%	0.257	S	S	.	.	H	α-helix	trans	-67.5	-40.3	176.3	-85.7	-75.6	0	0	0	113	P98 S99 F102 T270 Q271 E272 S276 E277	P98-F274 HydrophobicContact CB-CD1 4.26Å; P98-F274 HydrophobicContact CB-CD2 4.19Å; P98-F274 HydrophobicContact CB-CE1 4.18Å; P98-F274 HydrophobicContact CB-CE2 4.07Å; P98-F274 HydrophobicContact CB-CG 4.27Å; P98-F274 HydrophobicContact CB-CZ 4.07Å; P98-F274 HydrophobicContact CG-CD1 3.78Å; P98-F274 HydrophobicContact CG-CD2 4.42Å; P98-F274 HydrophobicContact CG-CE1 4.02Å; P98-F274 HydrophobicContact CG-CG 4Å; P98-F274 HydrophobicContact CG-CZ 4.41Å; S99-F274 WeakPolarHBondContact OG-CE1 3.44Å; F102-F274 HydrophobicContact CB-CZ 4.02Å; F102-F274 HydrophobicContact CD1-CZ 4.38Å; F102-F274 AromaticContact CD2-CE2 3.4Å; F102-F274 HydrophobicContact CD2-CE2 3.4Å; F102-F274 VanDerWaalsContact CD2-CE2 3.4Å; F102-F274 AromaticContact CD2-CZ 3.44Å; F102-F274 HydrophobicContact CD2-CZ 3.44Å; F102-F274 VanDerWaalsContact CD2-CZ 3.44Å; F102-F274 AromaticContact CE2-CE2 3.58Å; F102-F274 HydrophobicContact CE2-CE2 3.58Å; F102-F274 AromaticContact CE2-CZ 3.84Å; F102-F274 HydrophobicContact CE2-CZ 3.84Å; F102-F274 HydrophobicContact CG-CE2 4.17Å; F102-F274 AromaticContact CG-CZ 3.72Å; F102-F274 HydrophobicContact CG-CZ 3.72Å; F102-F274 HydrophobicContact CZ-CE2 4.44Å; F102-F274 HydrophobicContact CZ-CZ 4.42Å; T270-F274 HydrophobicContact CG2-CD2 3.97Å; T270-F274 HydrophobicContact CG2-CE2 3.87Å; T270-F274 VanDerWaalsContact O-CD2 3.25Å; T270-F274 WeakPolarHBondContact O-CD2 3.1Å; T270-F274 PolarHBondContact O-N 2.94Å; T270-F274 VanDerWaalsContact O-N 3.13Å; Q271-F274 PolarHBondContact O-N 3.26Å; Q271-F274 VanDerWaalsContact O-N 3.13Å; E272-F274 VanDerWaalsContact C-N 3.3Å; E272-F274 PolarHBondContact O-N 2.85Å; F274-S276 PolarHBondContact O-N 3.3Å; F274-E277 VanDerWaalsContact O-CB 3.27Å; F274-E277 WeakPolarHBondContact O-CB 3.39Å; F274-E277 PolarHBondContact O-N 3.2Å; F274-E277 VanDerWaalsContact O-N 3.12Å
275	Q	98.4	Very high	97.8	Very high	147 Å²	147	50.3 Å²	50.3	69%	0.687	27%	0.266	S	S	*	.	H	α-helix	trans	-61.5	-34.3	173.9	-70.6	174.7	5.3	0	0	111.3	Q271 E272	Q271-Q275 WeakPolarHBondContact O-CG 3.13Å; Q271-Q275 PolarHBondContact O-N 2.89Å; E272-Q275 PolarHBondContact O-N 3.19Å
276	S	98	Very high	97.6	Very high	17 Å²	17	53.3 Å²	53.3	12%	0.119	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	4.1	176.4	-72.9	0	0	0	0	114.7	E272 L273 F274 N278 L279 L280	E272-S276 WeakPolarHBondContact O-CB 3.29Å; E272-S276 PolarHBondContact O-N 2.99Å; E272-S276 PolarHBondContact O-OG 3.11Å; E272-S276 PolarHBondContact OE1-OG 3.09Å; L273-S276 CarbonylContact O-C 3.41Å; L273-S276 PolarHBondContact O-N 3.07Å; F274-S276 PolarHBondContact O-N 3.3Å; S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact O-N 3Å; S276-L279 WeakPolarHBondContact O-CB 3.41Å; S276-L279 PolarHBondContact O-N 3.04Å; S276-L279 VanDerWaalsContact O-N 3.16Å; S276-L280 WeakPolarHBondContact O-CG 3.42Å; S276-L280 PolarHBondContact O-N 2.82Å
277	E	97.8	Very high	97.1	Very high	27 Å²	27	58.3 Å²	58.3	13%	0.126	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-39.3	-171.1	176	163.5	-156.6	0	0	113.4	S97 P98 S99 L273 F274 L280 K281	S97-E277 PolarHBondContact OG-OE1 3.04Å; P98-E277 HydrophobicContact CG-CB 3.92Å; P98-E277 HydrophobicContact CG-CG 4.16Å; S99-E277 WeakPolarHBondContact CB-OE1 3.42Å; S99-E277 PolarHBondContact OG-OE1 2.85Å; S99-E277 PolarHBondContact OG-OE2 3.31Å; S99-E277 VanDerWaalsContact OG-OE2 3.12Å; L273-E277 PolarHBondContact O-N 2.91Å; L273-E277 VanDerWaalsContact O-N 3.12Å; F274-E277 VanDerWaalsContact O-CB 3.27Å; F274-E277 WeakPolarHBondContact O-CB 3.39Å; F274-E277 PolarHBondContact O-N 3.2Å; F274-E277 VanDerWaalsContact O-N 3.12Å; E277-L280 PolarHBondContact O-N 2.6Å; E277-K281 HydrophobicContact CG-CD 4.1Å; E277-K281 HydrophobicContact CG-CG 4.44Å; E277-K281 WeakPolarHBondContact O-CG 3.49Å; E277-K281 PolarHBondContact O-N 3.41Å; E277-K281 WeakPolarHBondContact OE1-CE 3.38Å; E277-K281 IonicContact OE1-NZ 3.99Å; E277-K281 PolarHBondContact OE1-NZ 3.02Å
278	N	97.6	Very high	96.8	Very high	110 Å²	110	52.7 Å²	52.7	59%	0.588	29%	0.286	S	S	*	.	H	α-helix	trans	-63.5	-46.3	177.8	-174	24.8	0	0	0	111.2	S276 L280 K281 Q282	S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact O-N 3Å; N278-L280 VanDerWaalsContact C-N 3.34Å; N278-L280 PolarHBondContact O-N 3.09Å; N278-K281 PolarHBondContact O-N 2.77Å; N278-Q282 PolarHBondContact ND2-NE2 3.25Å; N278-Q282 VanDerWaalsContact O-CG 3.31Å; N278-Q282 WeakPolarHBondContact O-CG 3.24Å; N278-Q282 PolarHBondContact O-N 3.37Å; N278-Q282 PolarHBondContact OD1-NE2 3.35Å; N278-Q282 VanDerWaalsContact OD1-NE2 3.16Å
279	L	97.1	Very high	96.4	Very high	32 Å²	32	50.2 Å²	50.2	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-46.2	175.9	172.3	63.2	0	0	0	111.1	S276 K281 Q282 I283 I291	S276-L279 WeakPolarHBondContact O-CB 3.41Å; S276-L279 PolarHBondContact O-N 3.04Å; S276-L279 VanDerWaalsContact O-N 3.16Å; L279-K281 PolarHBondContact O-N 2.86Å; L279-Q282 WeakPolarHBondContact O-CB 3.47Å; L279-Q282 PolarHBondContact O-N 3.38Å; L279-I283 HydrophobicContact CD1-CD1 3.96Å; L279-I283 HydrophobicContact CD1-CG1 4.15Å; L279-I283 HydrophobicContact CG-CD1 3.87Å; L279-I283 HydrophobicContact CG-CG1 4.45Å; L279-I283 WeakPolarHBondContact O-CG1 3.46Å; L279-I283 PolarHBondContact O-N 3.18Å; L279-I291 HydrophobicContact CD1-CB 4.13Å; L279-I291 HydrophobicContact CD1-CG2 3.93Å
280	L	98.1	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-43.5	179.2	-71.2	170.8	0	0	0	111.9	L96 M147 E150 I151 L273 S276 E277 N278 Q282 I283 A284	L96-L280 HydrophobicContact CB-CB 3.97Å; L96-L280 HydrophobicContact CB-CD2 4.48Å; L96-L280 WeakPolarHBondContact CB-O 3.08Å; L96-L280 CarbonylContact O-C 3.5Å; L96-L280 VanDerWaalsContact O-CB 3.29Å; L96-L280 WeakPolarHBondContact O-CB 3.39Å; M147-L280 HydrophobicContact CB-CD1 3.99Å; M147-L280 HydrophobicContact CB-CD2 3.97Å; M147-L280 HydrophobicContact CG-CD1 4.01Å; M147-L280 HydrophobicContact CG-CD2 4.11Å; M147-L280 HydrophobicContact SD-CD1 3.96Å; E150-L280 HydrophobicContact CB-CD2 4.09Å; I151-L280 HydrophobicContact CD1-CD1 4.29Å; I151-L280 HydrophobicContact CG1-CD2 4.25Å; L273-L280 HydrophobicContact CD2-CD1 4.35Å; S276-L280 WeakPolarHBondContact O-CG 3.42Å; S276-L280 PolarHBondContact O-N 2.82Å; E277-L280 PolarHBondContact O-N 2.6Å; N278-L280 VanDerWaalsContact C-N 3.34Å; N278-L280 PolarHBondContact O-N 3.09Å; L280-Q282 VanDerWaalsContact C-N 3.34Å; L280-Q282 PolarHBondContact O-N 3.1Å; L280-I283 PolarHBondContact O-N 3.45Å; L280-A284 WeakPolarHBondContact O-CB 3.38Å; L280-A284 PolarHBondContact O-N 2.89Å
281	K	97.7	Very high	95.9	Very high	102 Å²	102	50.4 Å²	50.4	44%	0.443	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-41.4	174.9	-75.6	175.5	-179.5	166.1	0	112	L96 E277 N278 L279 A284 A285	L96-K281 PolarHBondContact O-N 3Å; E277-K281 HydrophobicContact CG-CD 4.1Å; E277-K281 HydrophobicContact CG-CG 4.44Å; E277-K281 WeakPolarHBondContact O-CG 3.49Å; E277-K281 PolarHBondContact O-N 3.41Å; E277-K281 WeakPolarHBondContact OE1-CE 3.38Å; E277-K281 IonicContact OE1-NZ 3.99Å; E277-K281 PolarHBondContact OE1-NZ 3.02Å; N278-K281 PolarHBondContact O-N 2.77Å; L279-K281 PolarHBondContact O-N 2.86Å; K281-A284 PolarHBondContact O-N 3.1Å; K281-A285 WeakPolarHBondContact O-CB 3.44Å; K281-A285 PolarHBondContact O-N 3.14Å
282	Q	96.9	Very high	94.8	Very high	80 Å²	80	48.5 Å²	48.5	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-47	175	-69.3	172.5	13.2	0	0	111.1	N278 L279 L280 A284 A285 H286 I291	N278-Q282 PolarHBondContact ND2-NE2 3.25Å; N278-Q282 VanDerWaalsContact O-CG 3.31Å; N278-Q282 WeakPolarHBondContact O-CG 3.24Å; N278-Q282 PolarHBondContact O-N 3.37Å; N278-Q282 PolarHBondContact OD1-NE2 3.35Å; N278-Q282 VanDerWaalsContact OD1-NE2 3.16Å; L279-Q282 WeakPolarHBondContact O-CB 3.47Å; L279-Q282 PolarHBondContact O-N 3.38Å; L280-Q282 VanDerWaalsContact C-N 3.34Å; L280-Q282 PolarHBondContact O-N 3.1Å; Q282-A284 VanDerWaalsContact C-N 3.27Å; Q282-A284 PolarHBondContact O-N 3.15Å; Q282-A285 PolarHBondContact O-N 3.33Å; Q282-H286 WeakPolarHBondContact O-CB 3.28Å; Q282-H286 PolarHBondContact O-N 3.08Å; Q282-I291 HydrophobicContact CB-CD1 3.77Å; Q282-I291 HydrophobicContact CB-CG1 3.84Å; Q282-I291 HydrophobicContact CB-CG2 4.39Å
283	I	96.6	Very high	92.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.4	-42.1	176.1	-69.5	168.9	0	0	0	110.9	R86 L96 E150 L279 L280 G289 I291	R86-I283 PolarHBondContact NH2-O 3.33Å; L96-I283 HydrophobicContact CD1-CB 4.46Å; L96-I283 HydrophobicContact CD1-CG2 3.93Å; E150-I283 HydrophobicContact CB-CD1 4.17Å; E150-I283 HydrophobicContact CG-CG2 4.16Å; L279-I283 HydrophobicContact CD1-CD1 3.96Å; L279-I283 HydrophobicContact CD1-CG1 4.15Å; L279-I283 HydrophobicContact CG-CD1 3.87Å; L279-I283 HydrophobicContact CG-CG1 4.45Å; L279-I283 WeakPolarHBondContact O-CG1 3.46Å; L279-I283 PolarHBondContact O-N 3.18Å; L280-I283 PolarHBondContact O-N 3.45Å; I283-G289 WeakPolarHBondContact O-CA 3.48Å; I283-I291 HydrophobicContact CB-CG1 4.38Å; I283-I291 HydrophobicContact CG1-CB 4.35Å; I283-I291 HydrophobicContact CG1-CG1 3.66Å
284	A	96.2	Very high	90.3	Very high	16 Å²	16	54 Å²	54	13%	0.132	30%	0.3	C	S	.	.	H	α-helix	trans	-65.6	-41.2	178.5	0	0	0	0	0	112.5	L96 L280 K281 Q282	L96-A284 HydrophobicContact CB-CB 3.96Å; L96-A284 HydrophobicContact CD1-CB 4.2Å; L96-A284 HydrophobicContact CG-CB 3.86Å; L280-A284 WeakPolarHBondContact O-CB 3.38Å; L280-A284 PolarHBondContact O-N 2.89Å; K281-A284 PolarHBondContact O-N 3.1Å; Q282-A284 VanDerWaalsContact C-N 3.27Å; Q282-A284 PolarHBondContact O-N 3.15Å
285	A	94.8	Very high	87.4	Confident	86 Å²	86	57.2 Å²	57.2	71%	0.711	33%	0.325	S	S	*	.	H	α-helix	trans	-75.9	-26.8	-179.4	0	0	0	0	0	113.2	K281 Q282	K281-A285 WeakPolarHBondContact O-CB 3.44Å; K281-A285 PolarHBondContact O-N 3.14Å; Q282-A285 PolarHBondContact O-N 3.33Å
286	H	93	Very high	84.4	Confident	68 Å²	68	52.2 Å²	52.2	32%	0.315	31%	0.312	S	S	.	.	S	Bend	trans	-74.6	132.1	-178	-164.5	-92.6	0	0	0	111.4	R86 Q282 T288 G289 D290 I291	R86-H286 PolarHBondContact NH2-O 2.91Å; Q282-H286 WeakPolarHBondContact O-CB 3.28Å; Q282-H286 PolarHBondContact O-N 3.08Å; H286-T288 PolarHBondContact CE1-OG1 3.05Å; H286-T288 PolarHBondContact ND1-N 3.08Å; H286-T288 PolarHBondContact ND1-OG1 2.8Å; H286-T288 PolarHBondContact O-N 3.21Å; H286-G289 PolarHBondContact ND1-N 3.05Å; H286-G289 PolarHBondContact O-N 3.47Å; H286-G289 VanDerWaalsContact O-N 3.07Å; H286-D290 PolarHBondContact CE1-O 2.72Å; H286-D290 PolarHBondContact ND1-N 3.21Å; H286-I291 HydrophobicContact CB-CD1 3.58Å
287	P	89.1	Confident	81.4	Confident	105 Å²	105	56 Å²	56	68%	0.682	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.4	-177.5	-28.3	34.6	0	0	0	113.5
288	T	90.8	Very high	78.2	Confident	3 Å²	3	58 Å²	58	2%	0.018	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-10.3	-179.9	68.2	0	0	0	0	114.3	V53 F56 Y82 L83 H286 D290	V53-T288 HydrophobicContact CB-CG2 4.48Å; V53-T288 HydrophobicContact CG1-CG2 3.9Å; V53-T288 HydrophobicContact CG2-CG2 3.68Å; F56-T288 HydrophobicContact CE1-CG2 3.69Å; F56-T288 HydrophobicContact CZ-CG2 4.09Å; Y82-T288 VanDerWaalsContact CE1-O 3.29Å; Y82-T288 WeakPolarHBondContact CE1-O 3.37Å; L83-T288 HydrophobicContact CD2-CG2 4.06Å; H286-T288 PolarHBondContact CE1-OG1 3.05Å; H286-T288 PolarHBondContact ND1-N 3.08Å; H286-T288 PolarHBondContact ND1-OG1 2.8Å; H286-T288 PolarHBondContact O-N 3.21Å; T288-D290 PolarHBondContact O-N 3.36Å; T288-D290 VanDerWaalsContact OG1-CB 3.25Å; T288-D290 WeakPolarHBondContact OG1-CB 3.41Å; T288-D290 PolarHBondContact OG1-N 3.12Å; T288-D290 VanDerWaalsContact OG1-N 3.16Å
289	G	91.8	Very high	75.1	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.01	35%	0.354	C	S	.	.			trans	70.3	1.1	-167.7	0	0	0	0	0	115.4	I283 H286 I291	I283-G289 WeakPolarHBondContact O-CA 3.48Å; H286-G289 PolarHBondContact ND1-N 3.05Å; H286-G289 PolarHBondContact O-N 3.47Å; H286-G289 VanDerWaalsContact O-N 3.07Å; G289-I291 PolarHBondContact O-N 3.1Å
290	D	94.1	Very high	72.1	Confident	11 Å²	11	62.5 Å²	62.5	6%	0.059	38%	0.375	C	S	.	.			trans	-74.3	89.9	173.3	-172.2	0.9	0	0	0	111.2	F56 S57 F60 H286 T288	F56-D290 WeakPolarHBondContact CA-OD2 3.39Å; F56-D290 HydrophobicContact CD1-CB 4.48Å; S57-D290 WeakPolarHBondContact CB-OD1 3.39Å; S57-D290 PolarHBondContact N-OD2 3.06Å; S57-D290 PolarHBondContact OG-OD1 3.25Å; S57-D290 PolarHBondContact OG-OD2 3.16Å; F60-D290 HydrophobicContact CB-CB 4.23Å; F60-D290 VanDerWaalsContact CB-CG 3.43Å; F60-D290 VanDerWaalsContact CB-OD1 3.22Å; F60-D290 WeakPolarHBondContact CB-OD1 3.48Å; F60-D290 HydrophobicContact CD1-CB 3.91Å; F60-D290 HydrophobicContact CD2-CB 3.82Å; F60-D290 HydrophobicContact CE1-CB 4.16Å; F60-D290 HydrophobicContact CE2-CB 4.08Å; F60-D290 HydrophobicContact CG-CB 3.73Å; F60-D290 VanDerWaalsContact CG-CG 3.47Å; F60-D290 HydrophobicContact CZ-CB 4.23Å; H286-D290 PolarHBondContact CE1-O 2.72Å; H286-D290 PolarHBondContact ND1-N 3.21Å; T288-D290 PolarHBondContact O-N 3.36Å; T288-D290 VanDerWaalsContact OG1-CB 3.25Å; T288-D290 WeakPolarHBondContact OG1-CB 3.41Å; T288-D290 PolarHBondContact OG1-N 3.12Å; T288-D290 VanDerWaalsContact OG1-N 3.16Å
291	I	91.6	Very high	69.1	Low	21 Å²	21	66.4 Å²	66.4	11%	0.108	40%	0.402	C	S	.	.			trans	-93.4	103.3	171	-57.8	-53.3	0	0	0	108.6	L279 Q282 I283 H286 G289 T293	L279-I291 HydrophobicContact CD1-CB 4.13Å; L279-I291 HydrophobicContact CD1-CG2 3.93Å; Q282-I291 HydrophobicContact CB-CD1 3.77Å; Q282-I291 HydrophobicContact CB-CG1 3.84Å; Q282-I291 HydrophobicContact CB-CG2 4.39Å; I283-I291 HydrophobicContact CB-CG1 4.38Å; I283-I291 HydrophobicContact CG1-CB 4.35Å; I283-I291 HydrophobicContact CG1-CG1 3.66Å; H286-I291 HydrophobicContact CB-CD1 3.58Å; G289-I291 PolarHBondContact O-N 3.1Å; I291-T293 PolarHBondContact O-N 3.33Å
292	S	76.3	Confident	66.2	Low	63 Å²	63	68.9 Å²	68.9	44%	0.441	42%	0.415	S	S	.	.			trans	-63.6	116.1	166.1	-176.9	0	0	0	0	108.4	N294	S292-N294 PolarHBondContact O-N 2.93Å; S292-N294 PolarHBondContact OG-N 3.15Å
293	T	57.7	Low	63.2	Low	86 Å²	86	71.9 Å²	71.9	53%	0.528	43%	0.429	S	S	.	.			trans	-84	6.2	172.8	43.1	0	0	0	0	112.6	R154 I291 T295	R154-T293 PolarHBondContact NH2-OG1 3.15Å; I291-T293 PolarHBondContact O-N 3.33Å; T293-T295 PolarHBondContact O-N 3.33Å; T293-T295 VanDerWaalsContact O-N 3.15Å
294	N	44.3	Very low	60.3	Low	95 Å²	95	77.8 Å²	77.8	51%	0.508	46%	0.461	S	S	.	.			trans	-82.1	93	173.6	-77.8	-1.6	0	0	0	109.8	S292 G296 D297	S292-N294 PolarHBondContact O-N 2.93Å; S292-N294 PolarHBondContact OG-N 3.15Å; N294-G296 PolarHBondContact O-N 3.37Å; N294-G296 VanDerWaalsContact O-N 3.1Å; N294-D297 HydrophobicContact CB-CB 4.38Å; N294-D297 WeakPolarHBondContact CB-OD2 3.31Å; N294-D297 PolarHBondContact ND2-OD2 3.28Å
295	T	38.3	Very low	57.6	Low	132 Å²	132	84.5 Å²	84.5	81%	0.81	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	1.3	151.3	29.3	0	0	0	0	113.1	T293	T293-T295 PolarHBondContact O-N 3.33Å; T293-T295 VanDerWaalsContact O-N 3.15Å
296	G	34.6	Very low	54.9	Low	41 Å²	41	85.5 Å²	85.5	42%	0.423	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-17.1	177.3	0	0	0	0	0	116.2	N294	N294-G296 PolarHBondContact O-N 3.37Å; N294-G296 VanDerWaalsContact O-N 3.1Å
297	D	35.3	Very low	52.3	Low	98 Å²	98	89.8 Å²	89.8	52%	0.524	51%	0.509	S	S	.	.	S	Bend	trans	-95.1	-11	-175.5	-69.3	-35.3	0	0	0	113.4	N294	N294-D297 HydrophobicContact CB-CB 4.38Å; N294-D297 WeakPolarHBondContact CB-OD2 3.31Å; N294-D297 PolarHBondContact ND2-OD2 3.28Å
298	A	30.8	Very low	49.9	Very low	68 Å²	68	90.1 Å²	90.1	56%	0.562	51%	0.509	S	S	*	.	S	Bend	trans	-81.9	-11.7	176	0	0	0	0	0	113.7
299	L	32.2	Very low	47.6	Very low	118 Å²	118	97.4 Å²	97.4	62%	0.618	55%	0.547	S	S	*	.	S	Bend	trans	-95.3	-10.2	-179.8	-72.2	167.2	0	0	0	113.5
300	I	34.9	Very low	45.3	Very low	118 Å²	118	103 Å²	103	61%	0.605	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-11.4	-178.3	-57.4	175.4	0	0	0	111.8
301	S	34.4	Very low	42.7	Very low	82 Å²	82	111.6 Å²	111.6	57%	0.573	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-18	176.9	53.9	0	0	0	0	115
302	E	35.7	Very low	40.1	Very low	155 Å²	155	118 Å²	118	72%	0.724	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-22.7	-177.9	-70.3	-166.5	167	0	0	114.5	T306	E302-T306 PolarHBondContact O-OG1 3.31Å
303	E	35.5	Very low	38.3	Very low	143 Å²	143	120.8 Å²	120.8	67%	0.668	71%	0.705	S	S	*	*	S	Bend	trans	-82.7	-16.5	179.6	-75.6	-173.3	159.8	0	0	114.2
304	N	36	Very low	37.3	Very low	124 Å²	124	122.6 Å²	122.6	66%	0.663	72%	0.715	S	S	*	*	S	Bend	trans	-93.6	-6.2	-179.7	-100.3	-6.8	0	0	0	115
305	E	37.9	Very low	36.9	Very low	157 Å²	157	124.1 Å²	124.1	73%	0.734	73%	0.726	S	S	*	*	S	Bend	trans	-95.9	-14.2	172	-87.1	-172.4	159.5	0	0	113.4
306	T	37.8	Very low	36.9	Very low	107 Å²	107	123.6 Å²	123.6	66%	0.656	72%	0.721	S	S	*	*	S	Bend	trans	-95.1	-10.9	179	22.8	0	0	0	0	114.6	E302	E302-T306 PolarHBondContact O-OG1 3.31Å
307	M	39.3	Very low	37	Very low	157 Å²	157	128.8 Å²	128.8	77%	0.773	74%	0.74	S	S	*	*	S	Bend	trans	-99	-3.7	-180	-96.9	-177.2	134.2	0	0	115.6
308	T	38.3	Very low	37.1	Very low	113 Å²	113	130.9 Å²	130.9	69%	0.693	75%	0.754	S	S	*	*	S	Bend	trans	-102.8	8.4	177.5	42.2	0	0	0	0	114.8
309	L	43.2	Very low	37.6	Very low	156 Å²	156	135.4 Å²	135.4	82%	0.817	77%	0.768	S	S	*	*	S	Bend	trans	-117.3	10.2	178.6	-75.4	170.3	0	0	0	114.7
310	T	43.3	Very low	38	Very low	118 Å²	118	136.7 Å²	136.7	72%	0.724	78%	0.779	S	S	*	*	S	Bend	trans	-128.2	2.9	179.9	42.4	0	0	0	0	116.8
311	E	39.4	Very low	38.2	Very low	191 Å²	191	138.3 Å²	138.3	89%	0.893	79%	0.794	S	S	*	*			trans	-141.8	108.8	168.4	-69.8	-170.4	159.7	0	0	111.1
312	G	37.9	Very low	38.6	Very low	156 Å²	156	143.4 Å²	143.4	100%	1.608	81%	0.814	S	S	*	*			trans	147.7	0	174.7	0	0	0	0	0	113.9

Retrieved 312 of 312 residues in 457.6 ms (Link to these results)

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