A0A5K4EZY5_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZY5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 617 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	45.6	Very low	43 Å²	43	38.5 Å²	38.5	21%	0.212	21%	0.206	C	C	.	.				0	20	0	-84.2	163.6	141.3	0	0	112.5	V160 S197 D348 M582	M1-V160 HydrophobicContact CE-CG1 4.22Å; M1-S197 WeakPolarHBondContact CE-OG 3.46Å; M1-S197 WeakPolarHBondContact SD-CB 3.37Å; M1-S197 PolarHBondContact SD-OG 2.99Å; M1-D348 PolarHBondContact N-OD2 3.18Å; M1-M582 HydrophobicContact CE-CE 3.53Å; M1-M582 HydrophobicContact CE-SD 4.02Å
2	T	29.7	Very low	46.2	Very low	22 Å²	22	41.8 Å²	41.8	14%	0.135	21%	0.214	C	C	.	.			trans	-120.2	71.4	-172.6	60.9	0	0	0	0	107.9	V194 F248	T2-V194 HydrophobicContact CG2-CG2 3.61Å; T2-F248 HydrophobicContact CG2-CE1 3.94Å; T2-F248 HydrophobicContact CG2-CZ 3.73Å
3	S	31.6	Very low	47.2	Very low	70 Å²	70	40 Å²	40	49%	0.49	21%	0.205	S	C	.	.	S	Bend	trans	-163.9	111.7	-178.5	-179.5	0	0	0	0	109.6
4	F	38.1	Very low	47.8	Very low	122 Å²	122	44.8 Å²	44.8	54%	0.535	22%	0.224	S	C	.	.			trans	37.1	102.3	163.9	-60.6	-82.5	0	0	0	117.1
5	G	37.9	Very low	48	Very low	23 Å²	23	50.9 Å²	50.9	24%	0.237	25%	0.251	C	S	.	.			trans	-54.7	128.5	164.1	0	0	0	0	0	110.3	H7 Y8	G5-H7 PolarHBondContact O-N 3.28Å; G5-Y8 VanDerWaalsContact O-CD2 3.29Å; G5-Y8 WeakPolarHBondContact O-CD2 3.21Å; G5-Y8 WeakPolarHBondContact O-CE2 3.39Å
6	P	40.2	Very low	47.9	Very low	5 Å²	5	50.8 Å²	50.8	3%	0.032	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	25.8	-169.4	33.6	-37.7	0	0	0	113.4
7	H	47.4	Very low	47.8	Very low	26 Å²	26	51.2 Å²	51.2	12%	0.12	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-8.8	-167.4	-79.1	-51	0	0	0	114.6	G5 D11 W113 K172	G5-H7 PolarHBondContact O-N 3.28Å; H7-D11 WeakPolarHBondContact CB-OD2 3.31Å; H7-D11 WeakPolarHBondContact O-CB 3.28Å; H7-D11 PolarHBondContact O-N 3.3Å; H7-D11 VanDerWaalsContact O-OD2 3.13Å; H7-W113 AromaticContact CE1-CD1 3.44Å; H7-W113 VanDerWaalsContact CE1-CD1 3.44Å; H7-W113 AromaticContact CE1-CG 3.59Å; H7-W113 AromaticContact NE2-CD1 3.62Å; H7-W113 AromaticContact NE2-CD2 3.75Å; H7-W113 AromaticContact NE2-CG 3.52Å; H7-W113 AromaticContact NE2-NE1 3.88Å; H7-K172 PolarHBondContact ND1-NZ 3.43Å
8	Y	54.4	Low	47.4	Very low	67 Å²	67	51.4 Å²	51.4	26%	0.263	26%	0.264	S	S	.	.	H	α-helix	trans	-72.1	-39.7	-171.9	-61	-69.1	0	0	0	114	G5 Y12 P81 R177	G5-Y8 VanDerWaalsContact O-CD2 3.29Å; G5-Y8 WeakPolarHBondContact O-CD2 3.21Å; G5-Y8 WeakPolarHBondContact O-CE2 3.39Å; Y8-Y12 WeakPolarHBondContact O-CB 3.42Å; Y8-Y12 PolarHBondContact O-N 3.22Å; Y8-P81 HydrophobicContact CD1-CG 4.05Å; Y8-P81 HydrophobicContact CE1-CG 3.87Å; Y8-R177 WeakPolarHBondContact OH-CD 3.47Å; Y8-R177 VanDerWaalsContact OH-CZ 3.23Å; Y8-R177 PolarHBondContact OH-NE 2.75Å; Y8-R177 PolarHBondContact OH-NH1 3.31Å
9	I	57.6	Low	46.7	Very low	17 Å²	17	53.3 Å²	53.3	9%	0.087	28%	0.279	C	S	.	.	H	α-helix	trans	-68.9	-49.3	-176.5	-62.1	175.9	0	0	0	110.2	Y12 I13 Y84 Y88 I568 E572	I9-Y12 PolarHBondContact O-N 3.3Å; I9-I13 HydrophobicContact CG2-CD1 3.8Å; I9-I13 VanDerWaalsContact O-CG1 3.23Å; I9-I13 WeakPolarHBondContact O-CG1 3.39Å; I9-I13 PolarHBondContact O-N 3.09Å; I9-Y84 HydrophobicContact CG1-CE2 4.08Å; I9-Y88 HydrophobicContact CD1-CE2 4.44Å; I9-Y88 WeakPolarHBondContact CD1-OH 3.45Å; I9-Y88 HydrophobicContact CG1-CE2 4.43Å; I9-I568 HydrophobicContact CD1-CB 4.36Å; I9-I568 HydrophobicContact CD1-CG2 3.37Å; I9-E572 VanDerWaalsContact CD1-OE1 3.27Å; I9-E572 WeakPolarHBondContact CD1-OE1 3.08Å
10	C	67.9	Low	46.3	Very low	2 Å²	2	60.3 Å²	60.3	1%	0.014	31%	0.307	C	S	.	.	H	α-helix	trans	-70.5	-39.3	-178.2	-67.4	0	0	0	0	113.5	Y12 I13 K14 C106 I569	C10-Y12 VanDerWaalsContact C-N 3.33Å; C10-I13 PolarHBondContact O-N 3Å; C10-K14 WeakPolarHBondContact O-CB 3.31Å; C10-K14 PolarHBondContact O-N 3.39Å; C10-C106 WeakPolarHBondContact CA-SG 3.42Å; C10-C106 HydrophobicContact CB-CB 3.56Å; C10-C106 WeakPolarHBondContact CB-SG 3.39Å; C10-C106 WeakPolarHBondContact SG-CA 3.02Å; C10-C106 WeakPolarHBondContact SG-CB 3.07Å; C10-C106 CovalentContact SG-SG 2.05Å; C10-C106 PolarHBondContact SG-SG 3.44Å; C10-I569 WeakPolarHBondContact SG-CD1 3.26Å
11	D	61.9	Low	45.8	Very low	26 Å²	26	61.6 Å²	61.6	14%	0.139	32%	0.322	C	S	.	.	H	α-helix	trans	-67.4	-37.8	175.8	-67.7	-27.3	0	0	0	110.3	H7 K14 H15 K172	H7-D11 WeakPolarHBondContact CB-OD2 3.31Å; H7-D11 WeakPolarHBondContact O-CB 3.28Å; H7-D11 PolarHBondContact O-N 3.3Å; H7-D11 VanDerWaalsContact O-OD2 3.13Å; D11-K14 PolarHBondContact O-N 3.25Å; D11-H15 PolarHBondContact O-CD2 3.15Å; D11-H15 PolarHBondContact O-N 3.47Å; D11-K172 IonicContact OD1-NZ 2.77Å; D11-K172 PolarHBondContact OD1-NZ 3.07Å; D11-K172 IonicContact OD2-NZ 2.77Å; D11-K172 PolarHBondContact OD2-NZ 3.21Å
12	Y	53.8	Low	46	Very low	79 Å²	79	65.4 Å²	65.4	31%	0.31	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-46.5	172.8	179.8	-94.7	0	0	0	112.7	Y8 I9 C10 K14 H15 S16 T80 Y84 F94	Y8-Y12 WeakPolarHBondContact O-CB 3.42Å; Y8-Y12 PolarHBondContact O-N 3.22Å; I9-Y12 PolarHBondContact O-N 3.3Å; C10-Y12 VanDerWaalsContact C-N 3.33Å; Y12-K14 VanDerWaalsContact C-N 3.28Å; Y12-K14 PolarHBondContact O-N 3.26Å; Y12-H15 PolarHBondContact O-N 3.3Å; Y12-S16 WeakPolarHBondContact O-CB 3.42Å; Y12-S16 PolarHBondContact O-N 3.34Å; Y12-S16 PolarHBondContact O-OG 2.98Å; Y12-T80 HydrophobicContact CD2-CG2 4.38Å; Y12-T80 HydrophobicContact CE2-CG2 4.13Å; Y12-Y84 AromaticContact CD1-CE1 3.52Å; Y12-Y84 HydrophobicContact CD1-CE1 3.52Å; Y12-Y84 AromaticContact CD1-CZ 3.51Å; Y12-Y84 WeakPolarHBondContact CD1-OH 3.38Å; Y12-Y84 HydrophobicContact CD2-CD1 4.31Å; Y12-Y84 AromaticContact CD2-CE1 3.85Å; Y12-Y84 HydrophobicContact CD2-CE1 3.85Å; Y12-Y84 AromaticContact CE1-CE1 3.59Å; Y12-Y84 HydrophobicContact CE1-CE1 3.59Å; Y12-Y84 HydrophobicContact CE2-CD1 4.31Å; Y12-Y84 AromaticContact CE2-CE1 3.95Å; Y12-Y84 HydrophobicContact CE2-CE1 3.95Å; Y12-Y84 HydrophobicContact CG-CD1 4.47Å; Y12-Y84 AromaticContact CG-CE1 3.63Å; Y12-Y84 HydrophobicContact CG-CE1 3.63Å; Y12-Y84 HydrophobicContact CG-CE2 4.35Å; Y12-Y84 AromaticContact CG-CZ 3.56Å; Y12-Y84 AromaticContact CZ-CE1 3.82Å; Y12-F94 HydrophobicContact CE1-CE2 4.31Å; Y12-F94 AromaticContact CE1-CZ 3.62Å; Y12-F94 HydrophobicContact CE1-CZ 3.62Å
13	I	58.5	Low	46.4	Very low	18 Å²	18	67.6 Å²	67.6	9%	0.092	35%	0.354	C	S	.	.	H	α-helix	trans	-59.9	-41.9	177.7	-71	167.7	0	0	0	110.4	I9 C10 S16 T17 I98 I102	I9-I13 HydrophobicContact CG2-CD1 3.8Å; I9-I13 VanDerWaalsContact O-CG1 3.23Å; I9-I13 WeakPolarHBondContact O-CG1 3.39Å; I9-I13 PolarHBondContact O-N 3.09Å; C10-I13 PolarHBondContact O-N 3Å; I13-S16 WeakPolarHBondContact CA-OG 3.43Å; I13-S16 PolarHBondContact O-N 3.36Å; I13-S16 PolarHBondContact O-OG 3.4Å; I13-T17 PolarHBondContact O-N 3.16Å; I13-T17 VanDerWaalsContact O-N 3.09Å; I13-T17 PolarHBondContact O-OG1 3.12Å; I13-I98 HydrophobicContact CG1-CD1 4.4Å; I13-I98 HydrophobicContact CG2-CD1 3.82Å; I13-I102 HydrophobicContact CD1-CG2 3.7Å
14	K	56.1	Low	46.7	Very low	107 Å²	107	71 Å²	71	47%	0.465	36%	0.362	S	S	.	.	H	α-helix	trans	-65.9	-39.4	-179.8	-165.3	177.3	-167.3	167.7	0	112.6	C10 D11 Y12 D110	C10-K14 WeakPolarHBondContact O-CB 3.31Å; C10-K14 PolarHBondContact O-N 3.39Å; D11-K14 PolarHBondContact O-N 3.25Å; Y12-K14 VanDerWaalsContact C-N 3.28Å; Y12-K14 PolarHBondContact O-N 3.26Å; K14-D110 IonicContact NZ-OD2 2.83Å; K14-D110 PolarHBondContact NZ-OD2 3.35Å
15	H	50.9	Low	46.9	Very low	137 Å²	137	68.1 Å²	68.1	63%	0.634	36%	0.357	S	S	*	.	H	α-helix	trans	-72.8	-26.6	175.8	-77.4	-62.1	0	0	0	113.5	D11 Y12	D11-H15 PolarHBondContact O-CD2 3.15Å; D11-H15 PolarHBondContact O-N 3.47Å; Y12-H15 PolarHBondContact O-N 3.3Å
16	S	46.4	Very low	47.1	Very low	49 Å²	49	68.8 Å²	68.8	34%	0.343	36%	0.357	S	S	.	.	H	α-helix	trans	-90.9	-15.4	-178.7	46.2	0	0	0	0	114.8	Y12 I13	Y12-S16 WeakPolarHBondContact O-CB 3.42Å; Y12-S16 PolarHBondContact O-N 3.34Å; Y12-S16 PolarHBondContact O-OG 2.98Å; I13-S16 WeakPolarHBondContact CA-OG 3.43Å; I13-S16 PolarHBondContact O-N 3.36Å; I13-S16 PolarHBondContact O-OG 3.4Å
17	T	46.6	Very low	47	Very low	57 Å²	57	74.2 Å²	74.2	35%	0.35	39%	0.385	S	S	.	.	H	α-helix	trans	-132.3	-6	-169.5	55.4	0	0	0	0	118.2	I13 I98	I13-T17 PolarHBondContact O-N 3.16Å; I13-T17 VanDerWaalsContact O-N 3.09Å; I13-T17 PolarHBondContact O-OG1 3.12Å; T17-I98 HydrophobicContact CG2-CD1 3.6Å
18	I	39.6	Very low	46.9	Very low	56 Å²	56	78.6 Å²	78.6	29%	0.287	41%	0.408	S	S	.	.			trans	-137.1	106.9	-167.7	-56.8	-179.9	0	0	0	113.5	K20 F22	I18-K20 PolarHBondContact O-N 3.09Å; I18-F22 HydrophobicContact CG2-CB 4.17Å
19	P	35	Very low	46.3	Very low	87 Å²	87	78.3 Å²	78.3	57%	0.565	42%	0.416	S	S	*	.			trans	-60	133.4	152.8	-10.5	25.1	0	0	0	107.9	S21 F22	P19-S21 PolarHBondContact O-N 3.48Å; P19-F22 PolarHBondContact O-N 2.81Å
20	K	38.4	Very low	45.8	Very low	193 Å²	193	79.8 Å²	79.8	84%	0.839	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-15.9	-177.8	-76.9	177.8	175.5	175.4	0	115.3	I18	I18-K20 PolarHBondContact O-N 3.09Å
21	S	35.4	Very low	44.7	Very low	88 Å²	88	84 Å²	84	62%	0.615	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-18.2	174.8	53.6	0	0	0	0	115.3	P19	P19-S21 PolarHBondContact O-N 3.48Å
22	F	38	Very low	43.8	Very low	122 Å²	122	89.4 Å²	89.4	54%	0.535	47%	0.472	S	S	.	.	H	α-helix	trans	-87.3	-27.3	-174.2	-157.7	-98	0	0	0	113.4	I18 P19 E24 S25 T26	I18-F22 HydrophobicContact CG2-CB 4.17Å; P19-F22 PolarHBondContact O-N 2.81Å; F22-E24 PolarHBondContact O-N 3.32Å; F22-S25 PolarHBondContact O-OG 2.92Å; F22-T26 WeakPolarHBondContact CD1-OG1 3.2Å; F22-T26 WeakPolarHBondContact O-CB 3.47Å; F22-T26 PolarHBondContact O-N 3.2Å; F22-T26 PolarHBondContact O-OG1 3.14Å
23	S	39	Very low	43.4	Very low	68 Å²	68	91.8 Å²	91.8	48%	0.476	48%	0.484	S	S	.	.	H	α-helix	trans	-70.9	-29.7	178.6	54.6	0	0	0	0	113.3	L27	S23-L27 PolarHBondContact O-N 3.48Å
24	E	38.3	Very low	42.7	Very low	143 Å²	143	96 Å²	96	67%	0.668	51%	0.505	S	S	*	.	H	α-helix	trans	-79.3	-39.7	178.3	-70.8	-175.9	161.3	0	0	112.1	F22 L28	F22-E24 PolarHBondContact O-N 3.32Å; E24-L28 PolarHBondContact O-N 2.95Å
25	S	40.6	Very low	42.1	Very low	60 Å²	60	96 Å²	96	42%	0.42	51%	0.51	S	S	.	.	H	α-helix	trans	-69.1	-36.9	177.8	62.6	0	0	0	0	112.6	F22 S29	F22-S25 PolarHBondContact O-OG 2.92Å; S25-S29 WeakPolarHBondContact O-CB 3.37Å; S25-S29 PolarHBondContact O-N 2.97Å; S25-S29 PolarHBondContact O-OG 3.07Å
26	T	42.2	Very low	41.8	Very low	38 Å²	38	95 Å²	95	23%	0.233	51%	0.51	C	S	.	.	H	α-helix	trans	-72.9	-35	-179.7	-41.3	0	0	0	0	111.8	F22 S29 T30 F100	F22-T26 WeakPolarHBondContact CD1-OG1 3.2Å; F22-T26 WeakPolarHBondContact O-CB 3.47Å; F22-T26 PolarHBondContact O-N 3.2Å; F22-T26 PolarHBondContact O-OG1 3.14Å; T26-S29 WeakPolarHBondContact CA-OG 3.37Å; T26-S29 PolarHBondContact O-OG 3.43Å; T26-S29 VanDerWaalsContact O-OG 3.08Å; T26-T30 WeakPolarHBondContact O-CB 3.44Å; T26-T30 PolarHBondContact O-N 3.3Å; T26-T30 PolarHBondContact O-OG1 2.99Å; T26-F100 HydrophobicContact CG2-CE2 4.43Å
27	L	39.4	Very low	41.6	Very low	119 Å²	119	97.1 Å²	97.1	62%	0.623	51%	0.514	S	S	*	.	H	α-helix	trans	-67.7	-41	175.7	-151.9	94.3	0	0	0	111.1	S23 T30 I31	S23-L27 PolarHBondContact O-N 3.48Å; L27-T30 PolarHBondContact O-N 3.26Å; L27-I31 HydrophobicContact CD2-CD1 4.4Å; L27-I31 HydrophobicContact CG-CD1 4.49Å; L27-I31 WeakPolarHBondContact O-CD1 3.43Å; L27-I31 VanDerWaalsContact O-CG1 3.24Å; L27-I31 WeakPolarHBondContact O-CG1 3.47Å; L27-I31 PolarHBondContact O-N 3.02Å; L27-I31 VanDerWaalsContact O-N 3.07Å
28	L	44.3	Very low	41.2	Very low	117 Å²	117	98.4 Å²	98.4	61%	0.613	53%	0.526	S	S	*	.	H	α-helix	trans	-66.2	-43.6	175.5	-84.6	158.8	0	0	0	112.3	E24 T30 I31 E32	E24-L28 PolarHBondContact O-N 2.95Å; L28-T30 VanDerWaalsContact C-N 3.32Å; L28-T30 PolarHBondContact O-N 3.21Å; L28-I31 PolarHBondContact O-N 2.99Å; L28-E32 PolarHBondContact O-N 3.09Å
29	S	43	Very low	41.2	Very low	61 Å²	61	102 Å²	102	43%	0.427	55%	0.546	S	S	.	.	H	α-helix	trans	-68	-31.2	177.6	71	0	0	0	0	112.7	S25 T26 F33	S25-S29 WeakPolarHBondContact O-CB 3.37Å; S25-S29 PolarHBondContact O-N 2.97Å; S25-S29 PolarHBondContact O-OG 3.07Å; T26-S29 WeakPolarHBondContact CA-OG 3.37Å; T26-S29 PolarHBondContact O-OG 3.43Å; T26-S29 VanDerWaalsContact O-OG 3.08Å; S29-F33 VanDerWaalsContact O-CB 3.23Å; S29-F33 WeakPolarHBondContact O-CB 3.25Å; S29-F33 PolarHBondContact O-N 3.24Å
30	T	45.9	Very low	41.4	Very low	49 Å²	49	103.1 Å²	103.1	30%	0.301	55%	0.547	S	S	.	.	H	α-helix	trans	-73.3	-36.5	176.1	-45.9	0	0	0	0	111.2	T26 L27 L28 F33 I34	T26-T30 WeakPolarHBondContact O-CB 3.44Å; T26-T30 PolarHBondContact O-N 3.3Å; T26-T30 PolarHBondContact O-OG1 2.99Å; L27-T30 PolarHBondContact O-N 3.26Å; L28-T30 VanDerWaalsContact C-N 3.32Å; L28-T30 PolarHBondContact O-N 3.21Å; T30-F33 PolarHBondContact O-N 3.33Å; T30-I34 HydrophobicContact CG2-CD1 4.12Å; T30-I34 WeakPolarHBondContact O-CB 3.48Å; T30-I34 WeakPolarHBondContact O-CD1 3.33Å; T30-I34 WeakPolarHBondContact O-CG1 3.41Å; T30-I34 PolarHBondContact O-N 3.31Å
31	I	44.7	Very low	41.2	Very low	90 Å²	90	100.8 Å²	100.8	46%	0.462	54%	0.541	S	S	.	.	H	α-helix	trans	-68.4	-40.6	173.4	-69	166.7	0	0	0	111	L27 L28 N35	L27-I31 HydrophobicContact CD2-CD1 4.4Å; L27-I31 HydrophobicContact CG-CD1 4.49Å; L27-I31 WeakPolarHBondContact O-CD1 3.43Å; L27-I31 VanDerWaalsContact O-CG1 3.24Å; L27-I31 WeakPolarHBondContact O-CG1 3.47Å; L27-I31 PolarHBondContact O-N 3.02Å; L27-I31 VanDerWaalsContact O-N 3.07Å; L28-I31 PolarHBondContact O-N 2.99Å; I31-N35 WeakPolarHBondContact O-CB 3.45Å; I31-N35 PolarHBondContact O-N 2.83Å
32	E	44	Very low	41.2	Very low	139 Å²	139	106.2 Å²	106.2	65%	0.65	56%	0.557	S	S	*	*	H	α-helix	trans	-65.1	-40.3	172.6	-85.8	-174.9	151.5	0	0	112.4	L28 N35 N36	L28-E32 PolarHBondContact O-N 3.09Å; E32-N35 PolarHBondContact O-N 3.23Å; E32-N36 WeakPolarHBondContact O-CB 3.38Å; E32-N36 PolarHBondContact O-N 3.42Å
33	F	44.7	Very low	41.1	Very low	129 Å²	129	109.5 Å²	109.5	57%	0.566	57%	0.571	S	S	*	*	H	α-helix	trans	-66.3	-41.2	177.4	-174.4	-97.9	0	0	0	112.4	S29 T30 N36 Q37	S29-F33 VanDerWaalsContact O-CB 3.23Å; S29-F33 WeakPolarHBondContact O-CB 3.25Å; S29-F33 PolarHBondContact O-N 3.24Å; T30-F33 PolarHBondContact O-N 3.33Å; F33-N36 PolarHBondContact O-N 3.4Å; F33-Q37 HydrophobicContact CD1-CG 4.14Å; F33-Q37 HydrophobicContact CE1-CG 3.8Å; F33-Q37 HydrophobicContact CE2-CG 4.29Å; F33-Q37 HydrophobicContact CZ-CG 3.88Å; F33-Q37 WeakPolarHBondContact O-CB 3.5Å; F33-Q37 VanDerWaalsContact O-CG 3.27Å; F33-Q37 WeakPolarHBondContact O-CG 3.34Å; F33-Q37 PolarHBondContact O-N 3.37Å
34	I	45.1	Very low	40.8	Very low	106 Å²	106	113.1 Å²	113.1	54%	0.544	58%	0.584	S	S	.	*	H	α-helix	trans	-65.9	-39.7	175.4	-68.7	166.6	0	0	0	110.7	T30 S38	T30-I34 HydrophobicContact CG2-CD1 4.12Å; T30-I34 WeakPolarHBondContact O-CB 3.48Å; T30-I34 WeakPolarHBondContact O-CD1 3.33Å; T30-I34 WeakPolarHBondContact O-CG1 3.41Å; T30-I34 PolarHBondContact O-N 3.31Å; I34-S38 PolarHBondContact O-N 3.23Å; I34-S38 VanDerWaalsContact O-N 3.11Å
35	N	43	Very low	40.4	Very low	107 Å²	107	114.8 Å²	114.8	57%	0.572	60%	0.596	S	S	*	*	H	α-helix	trans	-68.1	-35	174.8	-85	-16.7	0	0	0	113	I31 E32	I31-N35 WeakPolarHBondContact O-CB 3.45Å; I31-N35 PolarHBondContact O-N 2.83Å; E32-N35 PolarHBondContact O-N 3.23Å
36	N	43.7	Very low	39.9	Very low	117 Å²	117	116.2 Å²	116.2	63%	0.626	61%	0.606	S	S	*	*	H	α-helix	trans	-77.1	-28.5	177.5	-115.6	-11.3	0	0	0	113.2	E32 F33	E32-N36 WeakPolarHBondContact O-CB 3.38Å; E32-N36 PolarHBondContact O-N 3.42Å; F33-N36 PolarHBondContact O-N 3.4Å
37	Q	43.4	Very low	39.5	Very low	93 Å²	93	120.3 Å²	120.3	44%	0.435	63%	0.632	S	S	.	*	H	α-helix	trans	-79.3	-26.9	176.1	-73.9	-73.4	-24.3	0	0	112.6	F33 N39 N40 M41	F33-Q37 HydrophobicContact CD1-CG 4.14Å; F33-Q37 HydrophobicContact CE1-CG 3.8Å; F33-Q37 HydrophobicContact CE2-CG 4.29Å; F33-Q37 HydrophobicContact CZ-CG 3.88Å; F33-Q37 WeakPolarHBondContact O-CB 3.5Å; F33-Q37 VanDerWaalsContact O-CG 3.27Å; F33-Q37 WeakPolarHBondContact O-CG 3.34Å; F33-Q37 PolarHBondContact O-N 3.37Å; Q37-N39 PolarHBondContact O-N 2.92Å; Q37-N40 PolarHBondContact O-N 3.26Å; Q37-M41 WeakPolarHBondContact O-CG 3.38Å
38	S	38.2	Very low	39.1	Very low	84 Å²	84	123 Å²	123	59%	0.587	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-26.8	173.3	179.7	0	0	0	0	113.4	I34	I34-S38 PolarHBondContact O-N 3.23Å; I34-S38 VanDerWaalsContact O-N 3.11Å
39	N	39.9	Very low	38.5	Very low	132 Å²	132	124.7 Å²	124.7	71%	0.706	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-5.7	-177.6	-76.1	-19	0	0	0	114.5	Q37	Q37-N39 PolarHBondContact O-N 2.92Å
40	N	39.3	Very low	38	Very low	111 Å²	111	128.7 Å²	128.7	59%	0.594	67%	0.667	S	S	*	*	S	Bend	trans	-118	6	-175.3	-76.8	-40.9	0	0	0	114.3	Q37 E42	Q37-N40 PolarHBondContact O-N 3.26Å; N40-E42 VanDerWaalsContact C-N 3.29Å; N40-E42 PolarHBondContact O-N 2.97Å
41	M	32.4	Very low	37.4	Very low	144 Å²	144	134.9 Å²	134.9	71%	0.709	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	4	-170.6	-90.3	-73.6	-66.4	0	0	116.2	Q37	Q37-M41 WeakPolarHBondContact O-CG 3.38Å
42	E	36.8	Very low	36.8	Very low	202 Å²	202	138.3 Å²	138.3	94%	0.944	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-3.6	176.3	-92.8	-172	160.5	0	0	115	N40	N40-E42 VanDerWaalsContact C-N 3.29Å; N40-E42 PolarHBondContact O-N 2.97Å
43	K	36.3	Very low	36.1	Very low	191 Å²	191	142.2 Å²	142.2	83%	0.83	72%	0.72	S	S	*	*	S	Bend	trans	-125.4	2.8	-170	-121.4	176	-176.7	177	0	117.3
44	L	31.8	Very low	35.5	Very low	144 Å²	144	146.9 Å²	146.9	75%	0.754	74%	0.736	S	S	*	*			trans	-118	35.5	-171.1	-113.4	91	0	0	0	114.5
45	L	29.7	Very low	34.9	Very low	177 Å²	177	147 Å²	147	93%	0.927	74%	0.741	S	S	*	*	S	Bend	trans	-94.1	14.6	178.8	-119	145.9	0	0	0	114.4
46	S	29.4	Very low	34.3	Very low	91 Å²	91	148.2 Å²	148.2	64%	0.636	75%	0.748	S	S	*	*	S	Bend	trans	-140.3	143.6	175.9	58.5	0	0	0	0	111.4
47	T	33.6	Very low	33.6	Very low	124 Å²	124	150.1 Å²	150.1	76%	0.761	76%	0.758	S	S	*	*			trans	80.6	76.8	162.3	42.9	0	0	0	0	120.2	H49	T47-H49 VanDerWaalsContact C-N 3.33Å; T47-H49 PolarHBondContact O-N 3.09Å
48	N	31.1	Very low	32.9	Very low	174 Å²	174	151.8 Å²	151.8	93%	0.93	77%	0.774	S	S	*	*				25.7	18.9	122.2	-89	-7.1	0	0	0	125
49	H	32.7	Very low	32.3	Very low	153 Å²	153	153 Å²	153	71%	0.708	78%	0.779	S	S	*	*			trans	-117.6	15	-171.3	-109.3	-65.6	0	0	0	119.8	T47	T47-H49 VanDerWaalsContact C-N 3.33Å; T47-H49 PolarHBondContact O-N 3.09Å
50	L	32.6	Very low	31.6	Very low	145 Å²	145	156.6 Å²	156.6	76%	0.759	78%	0.784	S	S	*	*			trans	-99.5	-1.8	-173	-75.9	170.2	0	0	0	117.4	Q52	L50-Q52 PolarHBondContact O-N 3.13Å
51	L	32.2	Very low	31.1	Very low	179 Å²	179	159.5 Å²	159.5	94%	0.937	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	1	-176.1	-134.9	94.4	0	0	0	115.7
52	Q	32.7	Very low	30.8	Very low	163 Å²	163	157.4 Å²	157.4	76%	0.762	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	8	-169.3	-144.3	167.5	0.7	0	0	114.6	L50	L50-Q52 PolarHBondContact O-N 3.13Å
53	R	29.8	Very low	30.4	Very low	220 Å²	220	152.8 Å²	152.8	83%	0.83	79%	0.787	S	S	*	*	S	Bend	trans	-111	-0.3	-176.1	-139.4	176.3	-168.8	167.7	2.7	115
54	Y	31.5	Very low	29.9	Very low	228 Å²	228	148.9 Å²	148.9	89%	0.894	78%	0.784	S	S	*	*	S	Bend	trans	-104.1	3.8	-176.6	-104.9	-83.9	0	0	0	114.8
55	T	32.8	Very low	29.9	Very low	108 Å²	108	147.8 Å²	147.8	66%	0.663	79%	0.788	S	S	*	*	S	Bend	trans	-101.4	2.6	-174.7	45.6	0	0	0	0	115.6
56	N	30	Very low	29.6	Very low	132 Å²	132	145 Å²	145	71%	0.706	78%	0.784	S	S	*	*	S	Bend	trans	-121.5	0.8	-167.8	-79.2	9.2	0	0	0	118	T58	N56-T58 PolarHBondContact O-N 3.36Å
57	D	29.2	Very low	29.5	Very low	157 Å²	157	145.9 Å²	145.9	84%	0.84	79%	0.789	S	S	*	*			trans	-105.9	72.9	-179.9	-67.5	-22.3	0	0	0	111.4
58	T	28	Very low	29	Very low	128 Å²	128	147.2 Å²	147.2	79%	0.785	79%	0.791	S	S	*	*			trans	-126.4	77	166.6	39	0	0	0	0	109.4	N56	N56-T58 PolarHBondContact O-N 3.36Å
59	T	27	Very low	28.6	Very low	110 Å²	110	150.5 Å²	150.5	68%	0.675	79%	0.792	S	S	*	*			trans	-158.5	118.1	173.6	21.3	0	0	0	0	111.7
60	Y	24.6	Very low	28.3	Very low	208 Å²	208	149.9 Å²	149.9	82%	0.816	79%	0.793	S	S	*	*			trans	65.2	117.1	160.3	-66.5	-90.6	0	0	0	118.4
61	I	29.7	Very low	28	Very low	171 Å²	171	152.5 Å²	152.5	88%	0.877	80%	0.798	S	S	*	*				-162.2	107.3	122.2	-84.8	139.4	0	0	0	107.4
62	S	25.5	Very low	27.9	Very low	101 Å²	101	151.1 Å²	151.1	71%	0.706	79%	0.787	S	S	*	*			trans	-86.6	133	159.9	51.4	0	0	0	0	108.9
63	S	28.4	Very low	27.9	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	79%	0.791	S	S	*	*				162.7	130.9	129.4	49.4	0	0	0	0	113.5
64	S	26	Very low	27.9	Very low	109 Å²	109	148.5 Å²	148.5	76%	0.762	79%	0.789	S	S	*	*			trans	53.7	104.1	143.8	60.8	0	0	0	0	120
65	S	30.7	Very low	27.7	Very low	121 Å²	121	144.2 Å²	144.2	85%	0.846	78%	0.781	S	S	*	*				-163	112.8	124	33	0	0	0	0	110.6
66	S	24.5	Very low	27.6	Very low	120 Å²	120	145.1 Å²	145.1	84%	0.839	78%	0.781	S	S	*	*			trans	-62	124.7	168	42.9	0	0	0	0	111.6
67	S	26.3	Very low	27.7	Very low	108 Å²	108	143.9 Å²	143.9	76%	0.755	78%	0.779	S	S	*	*			trans	-175.8	136.7	141	45.1	0	0	0	0	112.6
68	L	24.2	Very low	27.6	Very low	152 Å²	152	142.1 Å²	142.1	80%	0.796	77%	0.769	S	S	*	*			trans	69	87.4	168.4	-81.4	87.7	0	0	0	119.1	I70	L68-I70 HydrophobicContact CD2-CD1 4.35Å; L68-I70 PolarHBondContact O-N 3.34Å
69	Y	22.9	Very low	27.8	Very low	244 Å²	244	142.5 Å²	142.5	96%	0.957	77%	0.766	S	S	*	*			trans	-70.2	112	149.9	-91.9	-100	0	0	0	109.7
70	I	25.4	Very low	28.1	Very low	139 Å²	139	140.6 Å²	140.6	71%	0.713	75%	0.754	S	S	*	*			trans	-123.2	123.5	155.2	-63.5	180	0	0	0	106.6	L68 E72	L68-I70 HydrophobicContact CD2-CD1 4.35Å; L68-I70 PolarHBondContact O-N 3.34Å; I70-E72 PolarHBondContact O-N 3Å
71	K	26.2	Very low	28.6	Very low	200 Å²	200	131.8 Å²	131.8	87%	0.87	72%	0.722	S	S	*	*			trans	-55.6	109.6	-175.7	-71	170.7	170.3	178.6	0	111.7
72	E	31.1	Very low	29	Very low	151 Å²	151	126.8 Å²	126.8	71%	0.706	70%	0.697	S	S	*	*			trans	-98.3	-1.5	-179.4	-138.5	164.1	-164.9	0	0	113.4	I70 Q74	I70-E72 PolarHBondContact O-N 3Å; E72-Q74 VanDerWaalsContact C-N 3.33Å; E72-Q74 PolarHBondContact O-N 3.25Å
73	D	31.7	Very low	29.5	Very low	158 Å²	158	125 Å²	125	85%	0.845	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	4.7	-174.5	-79.1	-24.7	0	0	0	115.6
74	Q	29.8	Very low	29.8	Very low	169 Å²	169	121.5 Å²	121.5	79%	0.79	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.1	-1.5	-176.3	-66.8	-116.6	-46.6	0	0	114.9	E72	E72-Q74 VanDerWaalsContact C-N 3.33Å; E72-Q74 PolarHBondContact O-N 3.25Å
75	L	27.5	Very low	30.1	Very low	139 Å²	139	120.4 Å²	120.4	73%	0.728	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-16.4	-177	-164.3	61.5	0	0	0	114
76	N	30.2	Very low	30.4	Very low	126 Å²	126	117.8 Å²	117.8	67%	0.674	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-2.3	-174.6	-71.1	-23.4	0	0	0	114.7
77	T	32.3	Very low	31.1	Very low	106 Å²	106	117 Å²	117	65%	0.65	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	0.6	-176.1	35.6	0	0	0	0	114.8
78	L	28.3	Very low	31.8	Very low	120 Å²	120	113.5 Å²	113.5	63%	0.628	57%	0.571	S	S	*	*	S	Bend	trans	-107.8	5.2	-169.6	-107.5	129.1	0	0	0	116.2
79	L	31	Very low	32.5	Very low	137 Å²	137	110.8 Å²	110.8	72%	0.717	55%	0.554	S	S	*	*	S	Bend	trans	-134.3	11.8	-165.8	-86	153.2	0	0	0	117
80	T	33.6	Very low	33.1	Very low	69 Å²	69	105.2 Å²	105.2	42%	0.423	54%	0.541	S	S	.	.			trans	-106.3	122.3	-178.9	52.2	0	0	0	0	113	Y12 I82	Y12-T80 HydrophobicContact CD2-CG2 4.38Å; Y12-T80 HydrophobicContact CE2-CG2 4.13Å; T80-I82 PolarHBondContact O-N 3.01Å
81	P	36.1	Very low	33.6	Very low	24 Å²	24	102.9 Å²	102.9	16%	0.156	52%	0.524	C	S	.	.			trans	-66.5	117.5	162	-15.6	29.8	0	0	0	109.1	Y8 E83 Y84 I328	Y8-P81 HydrophobicContact CD1-CG 4.05Å; Y8-P81 HydrophobicContact CE1-CG 3.87Å; P81-E83 PolarHBondContact O-N 3.04Å; P81-Y84 WeakPolarHBondContact O-CB 3.16Å; P81-Y84 PolarHBondContact O-N 3.41Å; P81-I328 HydrophobicContact CB-CD1 3.91Å
82	I	36.8	Very low	33.8	Very low	66 Å²	66	97.3 Å²	97.3	34%	0.338	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.8	-172.5	-65.5	156.1	0	0	0	113.8	T80 Y84 N85 M257	T80-I82 PolarHBondContact O-N 3.01Å; I82-Y84 PolarHBondContact O-N 2.9Å; I82-Y84 VanDerWaalsContact O-N 3.16Å; I82-N85 PolarHBondContact O-N 3.37Å; I82-M257 HydrophobicContact CB-CB 4.11Å; I82-M257 HydrophobicContact CD1-CB 4.23Å; I82-M257 WeakPolarHBondContact CD1-O 3.45Å
83	E	37.4	Very low	34.1	Very low	64 Å²	64	96.1 Å²	96.1	30%	0.299	51%	0.514	S	S	.	.	H	α-helix	trans	-59.7	-22.7	167.9	-101	-177.8	169	0	0	112.8	P81 S86 M257 K336	P81-E83 PolarHBondContact O-N 3.04Å; E83-S86 PolarHBondContact O-OG 3.23Å; E83-S86 VanDerWaalsContact O-OG 3.07Å; E83-M257 HydrophobicContact CB-CE 3.88Å; E83-M257 HydrophobicContact CB-SD 4.14Å; E83-M257 HydrophobicContact CG-CE 3.74Å; E83-M257 HydrophobicContact CG-SD 3.85Å; E83-M257 WeakPolarHBondContact OE2-CE 3.49Å; E83-K336 IonicContact OE1-NZ 3.22Å; E83-K336 PolarHBondContact OE1-NZ 3.21Å
84	Y	34.5	Very low	34.7	Very low	29 Å²	29	93.4 Å²	93.4	11%	0.114	49%	0.494	C	S	.	.	H	α-helix	trans	-66.9	-32.9	177.3	-156.7	-98.4	0	0	0	113.2	I9 Y12 P81 I82 S86 Y88	I9-Y84 HydrophobicContact CG1-CE2 4.08Å; Y12-Y84 AromaticContact CD1-CE1 3.52Å; Y12-Y84 HydrophobicContact CD1-CE1 3.52Å; Y12-Y84 AromaticContact CD1-CZ 3.51Å; Y12-Y84 WeakPolarHBondContact CD1-OH 3.38Å; Y12-Y84 HydrophobicContact CD2-CD1 4.31Å; Y12-Y84 AromaticContact CD2-CE1 3.85Å; Y12-Y84 HydrophobicContact CD2-CE1 3.85Å; Y12-Y84 AromaticContact CE1-CE1 3.59Å; Y12-Y84 HydrophobicContact CE1-CE1 3.59Å; Y12-Y84 HydrophobicContact CE2-CD1 4.31Å; Y12-Y84 AromaticContact CE2-CE1 3.95Å; Y12-Y84 HydrophobicContact CE2-CE1 3.95Å; Y12-Y84 HydrophobicContact CG-CD1 4.47Å; Y12-Y84 AromaticContact CG-CE1 3.63Å; Y12-Y84 HydrophobicContact CG-CE1 3.63Å; Y12-Y84 HydrophobicContact CG-CE2 4.35Å; Y12-Y84 AromaticContact CG-CZ 3.56Å; Y12-Y84 AromaticContact CZ-CE1 3.82Å; P81-Y84 WeakPolarHBondContact O-CB 3.16Å; P81-Y84 PolarHBondContact O-N 3.41Å; I82-Y84 PolarHBondContact O-N 2.9Å; I82-Y84 VanDerWaalsContact O-N 3.16Å; Y84-S86 VanDerWaalsContact C-N 3.33Å; Y84-S86 PolarHBondContact O-N 2.95Å; Y84-Y88 HydrophobicContact CD1-CD2 4.23Å; Y84-Y88 HydrophobicContact CD1-CG 4.49Å; Y84-Y88 HydrophobicContact CD2-CD2 4.43Å; Y84-Y88 HydrophobicContact CE1-CD2 4.04Å; Y84-Y88 HydrophobicContact CE1-CG 4.12Å; Y84-Y88 HydrophobicContact CE2-CD2 4.26Å; Y84-Y88 HydrophobicContact CE2-CE2 4.12Å; Y84-Y88 HydrophobicContact CG-CD2 4.41Å; Y84-Y88 WeakPolarHBondContact O-CB 3.24Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.48Å; Y84-Y88 PolarHBondContact O-N 3.43Å
85	N	32.1	Very low	35.3	Very low	87 Å²	87	91.9 Å²	91.9	47%	0.465	49%	0.492	S	S	.	.	H	α-helix	trans	-71.7	-25.7	-177.2	-103.3	6.3	0	0	0	113	I82 H89	I82-N85 PolarHBondContact O-N 3.37Å; N85-H89 WeakPolarHBondContact O-CB 3.29Å; N85-H89 PolarHBondContact O-CD2 2.79Å; N85-H89 VanDerWaalsContact O-CD2 3.26Å; N85-H89 PolarHBondContact O-N 3.44Å
86	S	36	Very low	36.5	Very low	65 Å²	65	92.6 Å²	92.6	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-74.1	-28.3	-178.9	70.8	0	0	0	0	114.2	E83 Y84	E83-S86 PolarHBondContact O-OG 3.23Å; E83-S86 VanDerWaalsContact O-OG 3.07Å; Y84-S86 VanDerWaalsContact C-N 3.33Å; Y84-S86 PolarHBondContact O-N 2.95Å
87	I	40.4	Very low	37.7	Very low	105 Å²	105	93.6 Å²	93.6	54%	0.538	50%	0.501	S	S	.	.	H	α-helix	trans	-91.1	-24.1	180	-60.3	173.1	0	0	0	110.7	I568	I87-I568 HydrophobicContact CG2-CD1 4.21Å
88	Y	39.5	Very low	39.3	Very low	33 Å²	33	90.6 Å²	90.6	13%	0.129	48%	0.481	C	S	.	.	H	α-helix	trans	-115.6	2.4	-172	-70.2	-92.8	0	0	0	115.1	I9 Y84 D90 Y91	I9-Y88 HydrophobicContact CD1-CE2 4.44Å; I9-Y88 WeakPolarHBondContact CD1-OH 3.45Å; I9-Y88 HydrophobicContact CG1-CE2 4.43Å; Y84-Y88 HydrophobicContact CD1-CD2 4.23Å; Y84-Y88 HydrophobicContact CD1-CG 4.49Å; Y84-Y88 HydrophobicContact CD2-CD2 4.43Å; Y84-Y88 HydrophobicContact CE1-CD2 4.04Å; Y84-Y88 HydrophobicContact CE1-CG 4.12Å; Y84-Y88 HydrophobicContact CE2-CD2 4.26Å; Y84-Y88 HydrophobicContact CE2-CE2 4.12Å; Y84-Y88 HydrophobicContact CG-CD2 4.41Å; Y84-Y88 WeakPolarHBondContact O-CB 3.24Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.48Å; Y84-Y88 PolarHBondContact O-N 3.43Å; Y88-D90 PolarHBondContact O-N 2.93Å; Y88-D90 VanDerWaalsContact O-N 3.08Å; Y88-Y91 AromaticContact CD1-CD2 3.21Å; Y88-Y91 HydrophobicContact CD1-CD2 3.21Å; Y88-Y91 AromaticContact CD1-CE2 3.24Å; Y88-Y91 HydrophobicContact CD1-CE2 3.24Å; Y88-Y91 AromaticContact CD1-CG 3.97Å; Y88-Y91 HydrophobicContact CD1-CG 3.97Å; Y88-Y91 AromaticContact CE1-CD2 3.84Å; Y88-Y91 HydrophobicContact CE1-CD2 3.84Å; Y88-Y91 AromaticContact CE1-CE2 3.32Å; Y88-Y91 HydrophobicContact CE1-CE2 3.32Å; Y88-Y91 AromaticContact CE1-CZ 3.83Å; Y88-Y91 HydrophobicContact CG-CD2 4.08Å; Y88-Y91 HydrophobicContact CG-CE2 4.33Å; Y88-Y91 WeakPolarHBondContact O-CB 3.26Å; Y88-Y91 PolarHBondContact O-N 2.93Å
89	H	39	Very low	41.5	Very low	96 Å²	96	87.7 Å²	87.7	44%	0.444	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18	177.2	-121.3	-67.9	0	0	0	114.6	N85 Y262	N85-H89 WeakPolarHBondContact O-CB 3.29Å; N85-H89 PolarHBondContact O-CD2 2.79Å; N85-H89 VanDerWaalsContact O-CD2 3.26Å; N85-H89 PolarHBondContact O-N 3.44Å; H89-Y262 HydrophobicContact CB-CE1 4.49Å; H89-Y262 HydrophobicContact CB-CE2 4.27Å; H89-Y262 VanDerWaalsContact CB-OH 3.27Å; H89-Y262 WeakPolarHBondContact CB-OH 3.09Å; H89-Y262 AromaticContact CD2-CE2 3.68Å; H89-Y262 AromaticContact CD2-CZ 3.91Å; H89-Y262 AromaticContact CG-CZ 3.88Å
90	D	35.4	Very low	43.7	Very low	127 Å²	127	86.6 Å²	86.6	68%	0.679	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	11.9	171.8	-73	-22	0	0	0	113	Y88 K565	Y88-D90 PolarHBondContact O-N 2.93Å; Y88-D90 VanDerWaalsContact O-N 3.08Å; D90-K565 VanDerWaalsContact C-NZ 3.33Å; D90-K565 PolarHBondContact O-NZ 2.98Å
91	Y	37	Very low	45.9	Very low	89 Å²	89	86.7 Å²	86.7	35%	0.349	46%	0.463	S	S	.	.	S	Bend	trans	-81.7	122.2	162	-91.3	-99.6	0	0	0	107.5	Y88 K565	Y88-Y91 AromaticContact CD1-CD2 3.21Å; Y88-Y91 HydrophobicContact CD1-CD2 3.21Å; Y88-Y91 AromaticContact CD1-CE2 3.24Å; Y88-Y91 HydrophobicContact CD1-CE2 3.24Å; Y88-Y91 AromaticContact CD1-CG 3.97Å; Y88-Y91 HydrophobicContact CD1-CG 3.97Å; Y88-Y91 AromaticContact CE1-CD2 3.84Å; Y88-Y91 HydrophobicContact CE1-CD2 3.84Å; Y88-Y91 AromaticContact CE1-CE2 3.32Å; Y88-Y91 HydrophobicContact CE1-CE2 3.32Å; Y88-Y91 AromaticContact CE1-CZ 3.83Å; Y88-Y91 HydrophobicContact CG-CD2 4.08Å; Y88-Y91 HydrophobicContact CG-CE2 4.33Å; Y88-Y91 WeakPolarHBondContact O-CB 3.26Å; Y88-Y91 PolarHBondContact O-N 2.93Å; Y91-K565 HydrophobicContact CD2-CD 4.12Å; Y91-K565 HydrophobicContact CE2-CB 3.98Å; Y91-K565 HydrophobicContact CE2-CD 3.67Å; Y91-K565 HydrophobicContact CE2-CG 4.09Å; Y91-K565 WeakPolarHBondContact OH-CB 3.33Å
92	P	30.5	Very low	48	Very low	84 Å²	84	86.4 Å²	86.4	55%	0.545	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-54.4	144.7	168.7	24.4	-31.5	0	0	0	108.5	F94	P92-F94 PolarHBondContact O-N 3.28Å
93	P	38.3	Very low	50.1	Low	126 Å²	126	85.6 Å²	85.6	82%	0.818	46%	0.455	S	S	*	.	S	Bend	trans	-53.4	118.9	174.9	24.4	-31.8	0	0	0	107.2	D95	P93-D95 PolarHBondContact O-N 3.39Å
94	F	43.5	Very low	52.4	Low	100 Å²	100	86 Å²	86	44%	0.439	46%	0.459	S	S	.	.			trans	-5.2	90	-177.1	-67.6	-93.9	0	0	0	115.4	Y12 P92 N96 I98	Y12-F94 HydrophobicContact CE1-CE2 4.31Å; Y12-F94 AromaticContact CE1-CZ 3.62Å; Y12-F94 HydrophobicContact CE1-CZ 3.62Å; P92-F94 PolarHBondContact O-N 3.28Å; F94-N96 PolarHBondContact O-N 3.38Å; F94-I98 HydrophobicContact CE1-CD1 4.35Å
95	D	41.7	Very low	54.8	Low	138 Å²	138	86.2 Å²	86.2	74%	0.738	46%	0.462	S	S	*	.			trans	-64.3	130	149.4	-102.9	-26.9	0	0	0	106.7	P93 N97	P93-D95 PolarHBondContact O-N 3.39Å; D95-N97 PolarHBondContact O-N 3.47Å
96	N	52.7	Low	57.3	Low	154 Å²	154	82.5 Å²	82.5	82%	0.824	44%	0.442	S	S	*	.	S	Bend	trans	-58.1	17.4	-165.6	-73.8	-39.5	0	0	0	117.9	F94	F94-N96 PolarHBondContact O-N 3.38Å
97	N	56.2	Low	59.7	Low	146 Å²	146	82.7 Å²	82.7	78%	0.781	44%	0.444	S	S	*	.			trans	-133.1	76.6	-174.4	-71.8	-34.2	0	0	0	112.8	D95 P99	D95-N97 PolarHBondContact O-N 3.47Å; N97-P99 WeakPolarHBondContact O-CD 3.46Å
98	I	66.3	Low	62.1	Low	43 Å²	43	81 Å²	81	22%	0.221	44%	0.435	C	S	.	.			trans	-61.8	125.8	160.4	-59.1	-178.8	0	0	0	107.6	I13 T17 F94 F100 I102 I103	I13-I98 HydrophobicContact CG1-CD1 4.4Å; I13-I98 HydrophobicContact CG2-CD1 3.82Å; T17-I98 HydrophobicContact CG2-CD1 3.6Å; F94-I98 HydrophobicContact CE1-CD1 4.35Å; I98-F100 PolarHBondContact O-N 2.72Å; I98-I102 HydrophobicContact CG2-CB 4.05Å; I98-I102 HydrophobicContact CG2-CG2 4.24Å; I98-I103 HydrophobicContact CB-CD1 4.48Å; I98-I103 HydrophobicContact CG2-CD1 4.45Å; I98-I103 HydrophobicContact CG2-CG1 4.03Å
99	P	74.2	Confident	64.5	Low	59 Å²	59	79.4 Å²	79.4	38%	0.383	43%	0.429	S	S	.	.			trans	-56.1	130.7	178.7	-23.1	30.6	0	0	0	111.2	N97 S101 I102	N97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-S101 PolarHBondContact O-N 3.23Å; P99-I102 HydrophobicContact CB-CD1 4.46Å; P99-I102 HydrophobicContact CB-CG1 4.22Å; P99-I102 HydrophobicContact CG-CD1 4.1Å; P99-I102 HydrophobicContact CG-CG1 4.41Å; P99-I102 WeakPolarHBondContact O-CB 3.2Å; P99-I102 PolarHBondContact O-N 3.12Å
100	F	77.1	Confident	66.7	Low	114 Å²	114	75.5 Å²	75.5	50%	0.5	41%	0.411	S	S	.	.	H	α-helix	trans	-52.9	-30.9	-179	-171.5	-113.8	0	0	0	113.2	T26 I98 I102 I103 I104	T26-F100 HydrophobicContact CG2-CE2 4.43Å; I98-F100 PolarHBondContact O-N 2.72Å; F100-I102 VanDerWaalsContact C-N 3.31Å; F100-I102 PolarHBondContact O-N 2.81Å; F100-I103 PolarHBondContact O-N 2.94Å; F100-I104 HydrophobicContact CD1-CD1 3.34Å; F100-I104 HydrophobicContact CD1-CG1 4.07Å; F100-I104 HydrophobicContact CE1-CD1 3.24Å; F100-I104 HydrophobicContact CE1-CG1 3.86Å; F100-I104 HydrophobicContact CG-CD1 4.23Å; F100-I104 HydrophobicContact CZ-CD1 4.04Å; F100-I104 HydrophobicContact CZ-CG1 4.18Å; F100-I104 WeakPolarHBondContact O-CG1 2.73Å; F100-I104 PolarHBondContact O-N 3.33Å
101	S	80.1	Confident	69.4	Low	72 Å²	72	76.2 Å²	76.2	50%	0.503	41%	0.405	S	S	.	.	H	α-helix	trans	-59.3	-36.9	174.4	55	0	0	0	0	113.5	P99 L105	P99-S101 PolarHBondContact O-N 3.23Å; S101-L105 WeakPolarHBondContact O-CB 3.03Å; S101-L105 WeakPolarHBondContact O-CD1 3.33Å; S101-L105 WeakPolarHBondContact O-CG 3.37Å; S101-L105 PolarHBondContact O-N 2.86Å
102	I	79.8	Confident	72.1	Confident	17 Å²	17	73.4 Å²	73.4	9%	0.087	40%	0.396	C	S	.	.	H	α-helix	trans	-69	-44.4	177.7	-56.9	-170.7	0	0	0	110	I13 I98 P99 F100 I104 L105 C106 I569	I13-I102 HydrophobicContact CD1-CG2 3.7Å; I98-I102 HydrophobicContact CG2-CB 4.05Å; I98-I102 HydrophobicContact CG2-CG2 4.24Å; P99-I102 HydrophobicContact CB-CD1 4.46Å; P99-I102 HydrophobicContact CB-CG1 4.22Å; P99-I102 HydrophobicContact CG-CD1 4.1Å; P99-I102 HydrophobicContact CG-CG1 4.41Å; P99-I102 WeakPolarHBondContact O-CB 3.2Å; P99-I102 PolarHBondContact O-N 3.12Å; F100-I102 VanDerWaalsContact C-N 3.31Å; F100-I102 PolarHBondContact O-N 2.81Å; I102-I104 VanDerWaalsContact C-N 3.34Å; I102-I104 PolarHBondContact O-N 3.11Å; I102-L105 PolarHBondContact O-N 3.1Å; I102-C106 PolarHBondContact O-N 3.25Å; I102-I569 HydrophobicContact CG1-CG2 4.18Å; I102-I569 HydrophobicContact CG2-CB 4.43Å; I102-I569 HydrophobicContact CG2-CG1 4.18Å; I102-I569 HydrophobicContact CG2-CG2 4.38Å
103	I	80	Confident	74.9	Confident	49 Å²	49	69.4 Å²	69.4	25%	0.251	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-44	178	-61	172.8	0	0	0	110.6	I98 F100 C106 S107	I98-I103 HydrophobicContact CB-CD1 4.48Å; I98-I103 HydrophobicContact CG2-CD1 4.45Å; I98-I103 HydrophobicContact CG2-CG1 4.03Å; F100-I103 PolarHBondContact O-N 2.94Å; I103-C106 PolarHBondContact O-N 3.24Å; I103-S107 WeakPolarHBondContact O-CB 3.31Å; I103-S107 PolarHBondContact O-N 3.32Å; I103-S107 PolarHBondContact O-OG 3.08Å
104	I	85.3	Confident	77.4	Confident	73 Å²	73	66 Å²	66	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-50.6	175	-69.2	164.7	0	0	0	110.7	F100 I102 C106 S107 I108	F100-I104 HydrophobicContact CD1-CD1 3.34Å; F100-I104 HydrophobicContact CD1-CG1 4.07Å; F100-I104 HydrophobicContact CE1-CD1 3.24Å; F100-I104 HydrophobicContact CE1-CG1 3.86Å; F100-I104 HydrophobicContact CG-CD1 4.23Å; F100-I104 HydrophobicContact CZ-CD1 4.04Å; F100-I104 HydrophobicContact CZ-CG1 4.18Å; F100-I104 WeakPolarHBondContact O-CG1 2.73Å; F100-I104 PolarHBondContact O-N 3.33Å; I102-I104 VanDerWaalsContact C-N 3.34Å; I102-I104 PolarHBondContact O-N 3.11Å; I104-C106 VanDerWaalsContact C-N 3.32Å; I104-C106 PolarHBondContact O-N 2.93Å; I104-S107 WeakPolarHBondContact O-CB 3.35Å; I104-S107 PolarHBondContact O-N 3.47Å; I104-S107 VanDerWaalsContact O-N 3.14Å; I104-I108 HydrophobicContact CG2-CD1 3.64Å; I104-I108 HydrophobicContact CG2-CG1 4.25Å; I104-I108 VanDerWaalsContact O-CG1 3.3Å; I104-I108 WeakPolarHBondContact O-CG1 3.38Å; I104-I108 PolarHBondContact O-N 3.27Å
105	L	85.8	Confident	79.7	Confident	34 Å²	34	68 Å²	68	18%	0.178	35%	0.351	C	S	.	.	H	α-helix	trans	-57.3	-45.2	180	-86.1	152.6	0	0	0	111.6	S101 I102 S107 I108 I109 I569 F573	S101-L105 WeakPolarHBondContact O-CB 3.03Å; S101-L105 WeakPolarHBondContact O-CD1 3.33Å; S101-L105 WeakPolarHBondContact O-CG 3.37Å; S101-L105 PolarHBondContact O-N 2.86Å; I102-L105 PolarHBondContact O-N 3.1Å; L105-S107 PolarHBondContact O-N 3.38Å; L105-I108 PolarHBondContact O-N 3.09Å; L105-I109 VanDerWaalsContact O-CG1 3.32Å; L105-I109 WeakPolarHBondContact O-CG1 3.29Å; L105-I109 PolarHBondContact O-N 2.6Å; L105-I569 HydrophobicContact CB-CD1 4.45Å; L105-I569 HydrophobicContact CB-CG1 3.77Å; L105-I569 HydrophobicContact CD1-CG1 4.37Å; L105-I569 HydrophobicContact CD1-CG2 4.2Å; L105-F573 HydrophobicContact CD2-CB 3.64Å; L105-F573 HydrophobicContact CD2-CD1 3.92Å; L105-F573 HydrophobicContact CD2-CD2 4.11Å; L105-F573 HydrophobicContact CD2-CG 3.6Å
106	C	84.6	Confident	82.3	Confident	8 Å²	8	63.9 Å²	63.9	5%	0.054	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-42.2	175.5	-79.2	0	0	0	0	113	C10 I102 I103 I104 I108 I109 D110 I569	C10-C106 WeakPolarHBondContact CA-SG 3.42Å; C10-C106 HydrophobicContact CB-CB 3.56Å; C10-C106 WeakPolarHBondContact CB-SG 3.39Å; C10-C106 WeakPolarHBondContact SG-CA 3.02Å; C10-C106 WeakPolarHBondContact SG-CB 3.07Å; C10-C106 CovalentContact SG-SG 2.05Å; C10-C106 PolarHBondContact SG-SG 3.44Å; I102-C106 PolarHBondContact O-N 3.25Å; I103-C106 PolarHBondContact O-N 3.24Å; I104-C106 VanDerWaalsContact C-N 3.32Å; I104-C106 PolarHBondContact O-N 2.93Å; C106-I108 VanDerWaalsContact C-N 3.28Å; C106-I108 PolarHBondContact O-N 3.41Å; C106-I109 PolarHBondContact O-N 3.32Å; C106-D110 WeakPolarHBondContact O-CB 3.41Å; C106-D110 PolarHBondContact O-N 3.34Å; C106-I569 WeakPolarHBondContact SG-CD1 3.25Å
107	S	87.3	Confident	84.4	Confident	69 Å²	69	56.6 Å²	56.6	48%	0.483	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-38.3	176.4	-58.5	0	0	0	0	111.6	I103 I104 L105 Y111	I103-S107 WeakPolarHBondContact O-CB 3.31Å; I103-S107 PolarHBondContact O-N 3.32Å; I103-S107 PolarHBondContact O-OG 3.08Å; I104-S107 WeakPolarHBondContact O-CB 3.35Å; I104-S107 PolarHBondContact O-N 3.47Å; I104-S107 VanDerWaalsContact O-N 3.14Å; L105-S107 PolarHBondContact O-N 3.38Å; S107-Y111 VanDerWaalsContact O-CB 3.3Å; S107-Y111 WeakPolarHBondContact O-CB 3.44Å; S107-Y111 PolarHBondContact O-N 3.41Å
108	I	90.8	Very high	86.2	Confident	70 Å²	70	51.3 Å²	51.3	36%	0.359	26%	0.263	S	S	.	.	H	α-helix	trans	-67.1	-46.8	175.5	-65.6	167.1	0	0	0	110.7	I104 L105 C106 D110 Y111 L112 F573	I104-I108 HydrophobicContact CG2-CD1 3.64Å; I104-I108 HydrophobicContact CG2-CG1 4.25Å; I104-I108 VanDerWaalsContact O-CG1 3.3Å; I104-I108 WeakPolarHBondContact O-CG1 3.38Å; I104-I108 PolarHBondContact O-N 3.27Å; L105-I108 PolarHBondContact O-N 3.09Å; C106-I108 VanDerWaalsContact C-N 3.28Å; C106-I108 PolarHBondContact O-N 3.41Å; I108-D110 VanDerWaalsContact C-N 3.34Å; I108-D110 PolarHBondContact O-N 2.95Å; I108-Y111 PolarHBondContact O-N 3.42Å; I108-L112 HydrophobicContact CG2-CD1 3.92Å; I108-L112 HydrophobicContact CG2-CG 4.24Å; I108-L112 WeakPolarHBondContact O-CB 3.34Å; I108-L112 VanDerWaalsContact O-CG 3.25Å; I108-L112 WeakPolarHBondContact O-CG 3.5Å; I108-L112 PolarHBondContact O-N 3.02Å; I108-F573 HydrophobicContact CG2-CD2 4.31Å; I108-F573 HydrophobicContact CG2-CE2 3.64Å
109	I	88.5	Confident	87.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-46.6	178	-67.4	166.8	0	0	0	110.5	L105 C106 Y111 L112 W113 I569 E572 F573	L105-I109 VanDerWaalsContact O-CG1 3.32Å; L105-I109 WeakPolarHBondContact O-CG1 3.29Å; L105-I109 PolarHBondContact O-N 2.6Å; C106-I109 PolarHBondContact O-N 3.32Å; I109-Y111 PolarHBondContact O-N 3.44Å; I109-L112 PolarHBondContact O-N 3.14Å; I109-W113 PolarHBondContact O-N 3.3Å; I109-I569 HydrophobicContact CD1-CD1 3.87Å; I109-E572 HydrophobicContact CD1-CB 4.27Å; I109-F573 HydrophobicContact CD1-CB 4.01Å; I109-F573 HydrophobicContact CG1-CB 4.22Å; I109-F573 HydrophobicContact CG1-CD2 3.95Å
110	D	86.7	Confident	88.8	Confident	14 Å²	14	51.5 Å²	51.5	8%	0.075	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-47.6	175.7	-92.8	1	0	0	0	111.4	K14 C106 I108 L112 W113 N114 K172	K14-D110 IonicContact NZ-OD2 2.83Å; K14-D110 PolarHBondContact NZ-OD2 3.35Å; C106-D110 WeakPolarHBondContact O-CB 3.41Å; C106-D110 PolarHBondContact O-N 3.34Å; I108-D110 VanDerWaalsContact C-N 3.34Å; I108-D110 PolarHBondContact O-N 2.95Å; D110-L112 PolarHBondContact O-N 2.96Å; D110-W113 PolarHBondContact O-N 3.09Å; D110-N114 VanDerWaalsContact O-CB 3.31Å; D110-N114 WeakPolarHBondContact O-CB 3.26Å; D110-N114 PolarHBondContact O-N 2.93Å; D110-N114 PolarHBondContact O-ND2 3.47Å; D110-K172 WeakPolarHBondContact OD1-CE 3.43Å; D110-K172 IonicContact OD1-NZ 3.39Å; D110-K172 PolarHBondContact OD1-NZ 3.1Å
111	Y	91.7	Very high	89.8	Confident	141 Å²	141	48.1 Å²	48.1	55%	0.553	25%	0.246	S	C	*	.	H	α-helix	trans	-59.6	-46.4	177.6	-176.9	-89	0	0	0	111.6	S107 I108 I109 W113 N114 Y115	S107-Y111 VanDerWaalsContact O-CB 3.3Å; S107-Y111 WeakPolarHBondContact O-CB 3.44Å; S107-Y111 PolarHBondContact O-N 3.41Å; I108-Y111 PolarHBondContact O-N 3.42Å; I109-Y111 PolarHBondContact O-N 3.44Å; Y111-W113 PolarHBondContact O-N 2.97Å; Y111-N114 PolarHBondContact O-N 3.11Å; Y111-Y115 HydrophobicContact CD1-CD2 4.26Å; Y111-Y115 AromaticContact CD2-CD2 3.53Å; Y111-Y115 HydrophobicContact CD2-CD2 3.53Å; Y111-Y115 AromaticContact CD2-CE2 3.51Å; Y111-Y115 HydrophobicContact CD2-CE2 3.51Å; Y111-Y115 HydrophobicContact CE1-CD2 4.19Å; Y111-Y115 AromaticContact CE2-CD2 3.45Å; Y111-Y115 HydrophobicContact CE2-CD2 3.45Å; Y111-Y115 VanDerWaalsContact CE2-CD2 3.45Å; Y111-Y115 AromaticContact CE2-CE2 3.48Å; Y111-Y115 HydrophobicContact CE2-CE2 3.48Å; Y111-Y115 VanDerWaalsContact CE2-CE2 3.48Å; Y111-Y115 HydrophobicContact CE2-CG 4.46Å; Y111-Y115 AromaticContact CG-CD2 3.94Å; Y111-Y115 HydrophobicContact CG-CD2 3.94Å; Y111-Y115 HydrophobicContact CG-CE2 4.31Å; Y111-Y115 AromaticContact CZ-CD2 3.8Å; Y111-Y115 VanDerWaalsContact O-CD2 3.28Å; Y111-Y115 WeakPolarHBondContact O-CD2 3.19Å; Y111-Y115 PolarHBondContact O-N 3.39Å; Y111-Y115 VanDerWaalsContact O-N 3.14Å
112	L	92.5	Very high	90.6	Very high	30 Å²	30	49.8 Å²	49.8	16%	0.157	25%	0.249	C	C	.	.	H	α-helix	trans	-59.4	-49.7	179.2	-72.3	173.1	0	0	0	111.4	I108 I109 D110 N114 I116 P117 F573 I577 L580	I108-L112 HydrophobicContact CG2-CD1 3.92Å; I108-L112 HydrophobicContact CG2-CG 4.24Å; I108-L112 WeakPolarHBondContact O-CB 3.34Å; I108-L112 VanDerWaalsContact O-CG 3.25Å; I108-L112 WeakPolarHBondContact O-CG 3.5Å; I108-L112 PolarHBondContact O-N 3.02Å; I109-L112 PolarHBondContact O-N 3.14Å; D110-L112 PolarHBondContact O-N 2.96Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 3.21Å; L112-I116 HydrophobicContact CD2-CG1 3.91Å; L112-I116 VanDerWaalsContact O-CB 3.22Å; L112-I116 WeakPolarHBondContact O-CB 3.09Å; L112-I116 WeakPolarHBondContact O-CG1 3.29Å; L112-I116 PolarHBondContact O-N 3.5Å; L112-P117 WeakPolarHBondContact O-CD 3.12Å; L112-F573 HydrophobicContact CD1-CE2 4.06Å; L112-I577 HydrophobicContact CD1-CD1 3.7Å; L112-L580 HydrophobicContact CB-CD1 4.1Å
113	W	89.9	Confident	91.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-70.5	-25.9	-179.2	-87.6	100.3	0	0	0	114.4	H7 I109 D110 Y111 P117 R168 C576 E579	H7-W113 AromaticContact CE1-CD1 3.44Å; H7-W113 VanDerWaalsContact CE1-CD1 3.44Å; H7-W113 AromaticContact CE1-CG 3.59Å; H7-W113 AromaticContact NE2-CD1 3.62Å; H7-W113 AromaticContact NE2-CD2 3.75Å; H7-W113 AromaticContact NE2-CG 3.52Å; H7-W113 AromaticContact NE2-NE1 3.88Å; I109-W113 PolarHBondContact O-N 3.3Å; D110-W113 PolarHBondContact O-N 3.09Å; Y111-W113 PolarHBondContact O-N 2.97Å; W113-P117 HydrophobicContact CD2-CG 4.33Å; W113-P117 HydrophobicContact CE3-CG 3.56Å; W113-P117 HydrophobicContact CZ3-CG 3.92Å; W113-P117 VanDerWaalsContact O-CD 3.31Å; W113-P117 WeakPolarHBondContact O-CD 3.15Å; W113-P117 VanDerWaalsContact O-CG 3.3Å; W113-P117 WeakPolarHBondContact O-CG 3.22Å; W113-R168 HydrophobicContact CH2-CB 4.08Å; W113-R168 HydrophobicContact CZ3-CB 3.78Å; W113-C576 PolarHBondContact NE1-SG 3.21Å; W113-E579 VanDerWaalsContact CZ2-OE2 3.25Å; W113-E579 WeakPolarHBondContact CZ2-OE2 3.33Å
114	N	90.4	Very high	92.3	Very high	56 Å²	56	49.5 Å²	49.5	30%	0.299	25%	0.247	S	C	.	.	H	α-helix	trans	-76.2	-38.6	177	-74.4	-34.7	0	0	0	112.5	D110 Y111 L112	D110-N114 VanDerWaalsContact O-CB 3.31Å; D110-N114 WeakPolarHBondContact O-CB 3.26Å; D110-N114 PolarHBondContact O-N 2.93Å; D110-N114 PolarHBondContact O-ND2 3.47Å; Y111-N114 PolarHBondContact O-N 3.11Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 3.21Å
115	Y	93.2	Very high	92.9	Very high	142 Å²	142	48.1 Å²	48.1	56%	0.557	24%	0.242	S	C	*	.	H	α-helix	trans	-109.8	-31.2	-169.2	-63.8	-70.5	0	0	0	115.2	Y111 P118	Y111-Y115 HydrophobicContact CD1-CD2 4.26Å; Y111-Y115 AromaticContact CD2-CD2 3.53Å; Y111-Y115 HydrophobicContact CD2-CD2 3.53Å; Y111-Y115 AromaticContact CD2-CE2 3.51Å; Y111-Y115 HydrophobicContact CD2-CE2 3.51Å; Y111-Y115 HydrophobicContact CE1-CD2 4.19Å; Y111-Y115 AromaticContact CE2-CD2 3.45Å; Y111-Y115 HydrophobicContact CE2-CD2 3.45Å; Y111-Y115 VanDerWaalsContact CE2-CD2 3.45Å; Y111-Y115 AromaticContact CE2-CE2 3.48Å; Y111-Y115 HydrophobicContact CE2-CE2 3.48Å; Y111-Y115 VanDerWaalsContact CE2-CE2 3.48Å; Y111-Y115 HydrophobicContact CE2-CG 4.46Å; Y111-Y115 AromaticContact CG-CD2 3.94Å; Y111-Y115 HydrophobicContact CG-CD2 3.94Å; Y111-Y115 HydrophobicContact CG-CE2 4.31Å; Y111-Y115 AromaticContact CZ-CD2 3.8Å; Y111-Y115 VanDerWaalsContact O-CD2 3.28Å; Y111-Y115 WeakPolarHBondContact O-CD2 3.19Å; Y111-Y115 PolarHBondContact O-N 3.39Å; Y111-Y115 VanDerWaalsContact O-N 3.14Å; Y115-P118 WeakPolarHBondContact O-CG 3.46Å
116	I	95.8	Very high	93.4	Very high	51 Å²	51	50.1 Å²	50.1	26%	0.262	25%	0.252	S	S	.	.	H	α-helix	trans	-79.5	-45.5	-174.7	-55.4	-60.8	0	0	0	112.8	L112 L119 I120 L580	L112-I116 HydrophobicContact CD2-CG1 3.91Å; L112-I116 VanDerWaalsContact O-CB 3.22Å; L112-I116 WeakPolarHBondContact O-CB 3.09Å; L112-I116 WeakPolarHBondContact O-CG1 3.29Å; L112-I116 PolarHBondContact O-N 3.5Å; I116-L119 WeakPolarHBondContact O-CB 3.4Å; I116-L119 PolarHBondContact O-N 3.24Å; I116-I120 HydrophobicContact CG2-CD1 3.56Å; I116-I120 HydrophobicContact CG2-CG1 4.01Å; I116-I120 WeakPolarHBondContact O-CG1 3.33Å; I116-I120 PolarHBondContact O-N 3.16Å; I116-L580 HydrophobicContact CB-CD1 4.37Å; I116-L580 HydrophobicContact CB-CD2 4.38Å; I116-L580 HydrophobicContact CG2-CD1 4.23Å; I116-L580 HydrophobicContact CG2-CD2 4.04Å
117	P	95.6	Very high	94	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-52.1	-48.9	176.6	-30.2	37.1	0	0	0	116.2	L112 W113 L119 I120 F121 L165 W169 L580	L112-P117 WeakPolarHBondContact O-CD 3.12Å; W113-P117 HydrophobicContact CD2-CG 4.33Å; W113-P117 HydrophobicContact CE3-CG 3.56Å; W113-P117 HydrophobicContact CZ3-CG 3.92Å; W113-P117 VanDerWaalsContact O-CD 3.31Å; W113-P117 WeakPolarHBondContact O-CD 3.15Å; W113-P117 VanDerWaalsContact O-CG 3.3Å; W113-P117 WeakPolarHBondContact O-CG 3.22Å; P117-L119 VanDerWaalsContact C-N 3.27Å; P117-L119 PolarHBondContact O-N 3.42Å; P117-I120 PolarHBondContact O-N 2.66Å; P117-F121 WeakPolarHBondContact O-CB 3.48Å; P117-F121 PolarHBondContact O-N 3.37Å; P117-L165 HydrophobicContact CB-CD1 3.73Å; P117-L165 HydrophobicContact CB-CG 4.18Å; P117-L165 HydrophobicContact CG-CD1 4.21Å; P117-W169 HydrophobicContact CB-CB 3.85Å; P117-W169 HydrophobicContact CB-CG 3.89Å; P117-L580 HydrophobicContact CG-CD2 4.14Å
118	P	95.9	Very high	94.5	Very high	34 Å²	34	46.6 Å²	46.6	22%	0.221	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-34.2	179.3	20.6	-30.2	0	0	0	112.7	Y115 L122 W169	Y115-P118 WeakPolarHBondContact O-CG 3.46Å; P118-L122 WeakPolarHBondContact O-CB 3.31Å; P118-L122 PolarHBondContact O-N 3.48Å; P118-W169 HydrophobicContact CB-CD2 4.33Å; P118-W169 HydrophobicContact CB-CE3 4.44Å; P118-W169 HydrophobicContact CB-CH2 3.7Å; P118-W169 HydrophobicContact CB-CZ2 3.51Å; P118-W169 HydrophobicContact CB-CZ3 4.15Å; P118-W169 HydrophobicContact CG-CH2 4.41Å; P118-W169 HydrophobicContact CG-CZ2 3.72Å
119	L	96.8	Very high	94.8	Very high	94 Å²	94	47.9 Å²	47.9	49%	0.492	24%	0.235	S	C	.	.	H	α-helix	trans	-66.8	-48.3	176.2	-177.3	65.6	0	0	0	111.1	I116 P117 F121 L122 I123	I116-L119 WeakPolarHBondContact O-CB 3.4Å; I116-L119 PolarHBondContact O-N 3.24Å; P117-L119 VanDerWaalsContact C-N 3.27Å; P117-L119 PolarHBondContact O-N 3.42Å; L119-F121 VanDerWaalsContact C-N 3.32Å; L119-F121 PolarHBondContact O-N 3.16Å; L119-L122 PolarHBondContact O-N 2.91Å; L119-I123 HydrophobicContact CD1-CD1 3.78Å; L119-I123 HydrophobicContact CD1-CG1 4.27Å; L119-I123 HydrophobicContact CG-CD1 3.79Å; L119-I123 VanDerWaalsContact O-CB 3.28Å; L119-I123 WeakPolarHBondContact O-CB 3.45Å; L119-I123 VanDerWaalsContact O-CG1 3.23Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 3.28Å
120	I	97.4	Very high	95.2	Very high	13 Å²	13	50.1 Å²	50.1	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-44	176.5	-66.1	171.4	0	0	0	110.2	I116 P117 G124 L161 L165 L580 I584 A587	I116-I120 HydrophobicContact CG2-CD1 3.56Å; I116-I120 HydrophobicContact CG2-CG1 4.01Å; I116-I120 WeakPolarHBondContact O-CG1 3.33Å; I116-I120 PolarHBondContact O-N 3.16Å; P117-I120 PolarHBondContact O-N 2.66Å; I120-G124 WeakPolarHBondContact O-CA 3.38Å; I120-G124 PolarHBondContact O-N 3.15Å; I120-L161 HydrophobicContact CG2-CD2 4.23Å; I120-L165 HydrophobicContact CB-CD2 3.8Å; I120-L165 HydrophobicContact CG2-CD2 3.57Å; I120-L580 HydrophobicContact CD1-CD2 4.14Å; I120-I584 HydrophobicContact CD1-CD1 4.31Å; I120-I584 HydrophobicContact CD1-CG1 3.69Å; I120-I584 HydrophobicContact CG1-CG1 4.09Å; I120-A587 HydrophobicContact CG2-CB 3.9Å
121	F	97.7	Very high	95.6	Very high	42 Å²	42	49.5 Å²	49.5	18%	0.184	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-51.4	179.4	-174.3	-98.8	0	0	0	111.3	P117 L119 I123 G124 T125 L161 F162 L165 L166	P117-F121 WeakPolarHBondContact O-CB 3.48Å; P117-F121 PolarHBondContact O-N 3.37Å; L119-F121 VanDerWaalsContact C-N 3.32Å; L119-F121 PolarHBondContact O-N 3.16Å; F121-I123 PolarHBondContact O-N 3.05Å; F121-G124 PolarHBondContact O-N 2.84Å; F121-T125 WeakPolarHBondContact O-CB 3.42Å; F121-T125 PolarHBondContact O-N 3.23Å; F121-T125 PolarHBondContact O-OG1 3.32Å; F121-T125 VanDerWaalsContact O-OG1 3.11Å; F121-L161 HydrophobicContact CD2-CB 4Å; F121-L161 HydrophobicContact CE2-CB 4.19Å; F121-F162 HydrophobicContact CZ-CD2 4.49Å; F121-L165 HydrophobicContact CB-CD2 4.05Å; F121-L166 HydrophobicContact CD2-CB 3.87Å; F121-L166 HydrophobicContact CE1-CD1 4.46Å; F121-L166 HydrophobicContact CE1-CD2 4.41Å; F121-L166 HydrophobicContact CE2-CB 3.69Å; F121-L166 HydrophobicContact CE2-CD2 4Å; F121-L166 HydrophobicContact CE2-CG 4.3Å; F121-L166 HydrophobicContact CZ-CB 4.27Å; F121-L166 HydrophobicContact CZ-CD1 4.47Å; F121-L166 HydrophobicContact CZ-CD2 3.77Å; F121-L166 HydrophobicContact CZ-CG 4.39Å
122	L	97	Very high	95.8	Very high	107 Å²	107	46.2 Å²	46.2	56%	0.56	23%	0.23	S	C	*	.	H	α-helix	trans	-59.4	-48.7	178.8	-173	88	0	0	0	112.2	P118 L119 G124 I126	P118-L122 WeakPolarHBondContact O-CB 3.31Å; P118-L122 PolarHBondContact O-N 3.48Å; L119-L122 PolarHBondContact O-N 2.91Å; L122-G124 VanDerWaalsContact C-N 3.33Å; L122-G124 PolarHBondContact O-N 2.76Å; L122-I126 HydrophobicContact CG-CD1 4.07Å; L122-I126 VanDerWaalsContact O-CG1 3.27Å; L122-I126 WeakPolarHBondContact O-CG1 3.39Å; L122-I126 PolarHBondContact O-N 3.48Å; L122-I126 VanDerWaalsContact O-N 3.13Å
123	I	96.9	Very high	96	Very high	60 Å²	60	47.7 Å²	47.7	31%	0.308	24%	0.237	S	C	.	.	H	α-helix	trans	-60	-45.8	178.2	-74.3	177.8	0	0	0	110.2	L119 F121 G127 Y591	L119-I123 HydrophobicContact CD1-CD1 3.78Å; L119-I123 HydrophobicContact CD1-CG1 4.27Å; L119-I123 HydrophobicContact CG-CD1 3.79Å; L119-I123 VanDerWaalsContact O-CB 3.28Å; L119-I123 WeakPolarHBondContact O-CB 3.45Å; L119-I123 VanDerWaalsContact O-CG1 3.23Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 3.28Å; F121-I123 PolarHBondContact O-N 3.05Å; I123-G127 PolarHBondContact O-N 3.46Å; I123-Y591 HydrophobicContact CG2-CD2 4.4Å; I123-Y591 HydrophobicContact CG2-CE2 3.4Å; I123-Y591 VanDerWaalsContact CG2-CE2 3.4Å; I123-Y591 VanDerWaalsContact CG2-OH 3.32Å; I123-Y591 WeakPolarHBondContact CG2-OH 3.46Å; I123-Y591 PolarHBondContact O-OH 3.32Å
124	G	97.8	Very high	96.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-51.2	-179.9	0	0	0	0	0	112.7	I120 F121 L122 I126 G127 N128	I120-G124 WeakPolarHBondContact O-CA 3.38Å; I120-G124 PolarHBondContact O-N 3.15Å; F121-G124 PolarHBondContact O-N 2.84Å; L122-G124 VanDerWaalsContact C-N 3.33Å; L122-G124 PolarHBondContact O-N 2.76Å; G124-I126 PolarHBondContact O-N 3.36Å; G124-G127 PolarHBondContact O-N 2.86Å; G124-G127 VanDerWaalsContact O-N 3.13Å; G124-N128 WeakPolarHBondContact O-CB 3.23Å; G124-N128 PolarHBondContact O-N 2.92Å; G124-N128 PolarHBondContact O-ND2 2.91Å
125	T	97.9	Very high	96.3	Very high	44 Å²	44	45.4 Å²	45.4	27%	0.27	23%	0.225	S	C	.	.	H	α-helix	trans	-59	-44.9	179.5	-62.4	0	0	0	0	112	F121 G127 L129 E158	F121-T125 WeakPolarHBondContact O-CB 3.42Å; F121-T125 PolarHBondContact O-N 3.23Å; F121-T125 PolarHBondContact O-OG1 3.32Å; F121-T125 VanDerWaalsContact O-OG1 3.11Å; T125-G127 PolarHBondContact O-N 3.35Å; T125-L129 VanDerWaalsContact O-CB 3.22Å; T125-L129 WeakPolarHBondContact O-CB 3.23Å; T125-L129 PolarHBondContact O-N 2.97Å; T125-E158 VanDerWaalsContact CA-OE2 3.32Å; T125-E158 WeakPolarHBondContact CA-OE2 3.46Å; T125-E158 WeakPolarHBondContact CB-OE1 3.29Å; T125-E158 WeakPolarHBondContact CG2-OE1 3.38Å; T125-E158 PolarHBondContact OG1-OE1 3.16Å
126	I	97.2	Very high	96.2	Very high	76 Å²	76	44.1 Å²	44.1	39%	0.39	22%	0.22	S	C	.	.	H	α-helix	trans	-62.5	-45.3	176.6	-67.1	170.4	0	0	0	110.5	L122 G124 F130	L122-I126 HydrophobicContact CG-CD1 4.07Å; L122-I126 VanDerWaalsContact O-CG1 3.27Å; L122-I126 WeakPolarHBondContact O-CG1 3.39Å; L122-I126 PolarHBondContact O-N 3.48Å; L122-I126 VanDerWaalsContact O-N 3.13Å; G124-I126 PolarHBondContact O-N 3.36Å; I126-F130 HydrophobicContact CG2-CD2 3.84Å; I126-F130 HydrophobicContact CG2-CE2 3.58Å; I126-F130 WeakPolarHBondContact O-CD2 3.23Å; I126-F130 PolarHBondContact O-N 2.97Å
127	G	97.4	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-47.6	-179.6	0	0	0	0	0	113.3	I123 G124 T125 F130 T131 F590	I123-G127 PolarHBondContact O-N 3.46Å; G124-G127 PolarHBondContact O-N 2.86Å; G124-G127 VanDerWaalsContact O-N 3.13Å; T125-G127 PolarHBondContact O-N 3.35Å; G127-F130 PolarHBondContact O-N 3.33Å; G127-T131 WeakPolarHBondContact O-CB 3.27Å; G127-T131 PolarHBondContact O-N 3.46Å; G127-T131 PolarHBondContact O-OG1 2.94Å; G127-F590 WeakPolarHBondContact O-CB 3.49Å; G127-F590 WeakPolarHBondContact O-CD2 3.47Å
128	N	97.6	Very high	95.6	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-37.5	-179	-73.8	-28	0	0	0	111.5	G124 T131 F132 H586	G124-N128 WeakPolarHBondContact O-CB 3.23Å; G124-N128 PolarHBondContact O-N 2.92Å; G124-N128 PolarHBondContact O-ND2 2.91Å; N128-T131 WeakPolarHBondContact O-CB 3.37Å; N128-T131 PolarHBondContact O-N 3.36Å; N128-F132 WeakPolarHBondContact O-CB 3.03Å; N128-F132 PolarHBondContact O-N 3.02Å; N128-H586 PolarHBondContact ND2-O 3.27Å
129	L	96.9	Very high	94.9	Very high	97 Å²	97	50.8 Å²	50.8	51%	0.508	24%	0.241	S	C	.	.	H	α-helix	trans	-59.2	-51.1	172.4	179	63	0	0	0	112	T125 T131 F132 L133	T125-L129 VanDerWaalsContact O-CB 3.22Å; T125-L129 WeakPolarHBondContact O-CB 3.23Å; T125-L129 PolarHBondContact O-N 2.97Å; L129-T131 VanDerWaalsContact C-N 3.32Å; L129-T131 PolarHBondContact O-N 3.06Å; L129-F132 PolarHBondContact O-N 3.39Å; L129-L133 HydrophobicContact CD1-CD1 4.36Å; L129-L133 HydrophobicContact CG-CD1 4.28Å; L129-L133 VanDerWaalsContact O-CG 3.32Å; L129-L133 WeakPolarHBondContact O-CG 3.3Å; L129-L133 PolarHBondContact O-N 2.86Å
130	F	96.2	Very high	94	Very high	48 Å²	48	52 Å²	52	21%	0.211	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-37.1	177.9	-74.2	-53.3	0	0	0	112.3	I126 G127 L133 I134 F590 F604 F607	I126-F130 HydrophobicContact CG2-CD2 3.84Å; I126-F130 HydrophobicContact CG2-CE2 3.58Å; I126-F130 WeakPolarHBondContact O-CD2 3.23Å; I126-F130 PolarHBondContact O-N 2.97Å; G127-F130 PolarHBondContact O-N 3.33Å; F130-L133 PolarHBondContact O-N 3.35Å; F130-I134 WeakPolarHBondContact O-CB 3.41Å; F130-I134 WeakPolarHBondContact O-CG1 3.28Å; F130-I134 PolarHBondContact O-N 3.14Å; F130-F590 HydrophobicContact CB-CD2 3.82Å; F130-F590 HydrophobicContact CB-CE2 3.41Å; F130-F590 VanDerWaalsContact CB-CE2 3.41Å; F130-F590 HydrophobicContact CB-CZ 4.04Å; F130-F590 HydrophobicContact CD2-CE2 4.29Å; F130-F590 HydrophobicContact CD2-CZ 4.05Å; F130-F590 HydrophobicContact CG-CE2 4.18Å; F130-F590 HydrophobicContact CG-CZ 4.35Å; F130-F604 HydrophobicContact CB-CE2 4.28Å; F130-F604 AromaticContact CD1-CE2 3.8Å; F130-F604 HydrophobicContact CD1-CE2 3.8Å; F130-F604 HydrophobicContact CD2-CE2 4.13Å; F130-F604 HydrophobicContact CE1-CE2 4.12Å; F130-F604 HydrophobicContact CE2-CE2 4.41Å; F130-F604 AromaticContact CG-CE2 3.82Å; F130-F604 HydrophobicContact CG-CE2 3.82Å; F130-F604 HydrophobicContact CZ-CE2 4.42Å; F130-F607 HydrophobicContact CD1-CE1 4.23Å; F130-F607 HydrophobicContact CE1-CD1 4.42Å; F130-F607 AromaticContact CE1-CE1 3.91Å; F130-F607 HydrophobicContact CE1-CE1 3.91Å
131	T	95.9	Very high	93	Very high	1 Å²	1	53 Å²	53	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-58	-50.1	174.8	-64.1	0	0	0	0	111.1	G127 N128 L129 L133 I134 F135 F590 Y593	G127-T131 WeakPolarHBondContact O-CB 3.27Å; G127-T131 PolarHBondContact O-N 3.46Å; G127-T131 PolarHBondContact O-OG1 2.94Å; N128-T131 WeakPolarHBondContact O-CB 3.37Å; N128-T131 PolarHBondContact O-N 3.36Å; L129-T131 VanDerWaalsContact C-N 3.32Å; L129-T131 PolarHBondContact O-N 3.06Å; T131-L133 PolarHBondContact O-N 3Å; T131-I134 PolarHBondContact O-N 3.43Å; T131-F135 HydrophobicContact CG2-CD2 3.56Å; T131-F135 HydrophobicContact CG2-CE2 3.85Å; T131-F135 WeakPolarHBondContact O-CB 3.39Å; T131-F135 WeakPolarHBondContact O-CD2 3.16Å; T131-F135 PolarHBondContact O-N 3.26Å; T131-F590 WeakPolarHBondContact OG1-CB 3.48Å; T131-Y593 HydrophobicContact CG2-CD2 3.92Å; T131-Y593 HydrophobicContact CG2-CE2 3.46Å; T131-Y593 VanDerWaalsContact CG2-CE2 3.46Å
132	F	96.5	Very high	91.6	Very high	72 Å²	72	54.3 Å²	54.3	32%	0.316	27%	0.267	S	S	.	.	H	α-helix	trans	-55	-53.5	175.9	169.4	-100.7	0	0	0	111.4	N128 L129 I134 F135 Y136 L151 S154 I155	N128-F132 WeakPolarHBondContact O-CB 3.03Å; N128-F132 PolarHBondContact O-N 3.02Å; L129-F132 PolarHBondContact O-N 3.39Å; F132-I134 VanDerWaalsContact C-N 3.34Å; F132-I134 PolarHBondContact O-N 3.47Å; F132-F135 PolarHBondContact O-N 3.31Å; F132-Y136 WeakPolarHBondContact O-CB 3.44Å; F132-Y136 PolarHBondContact O-N 2.88Å; F132-L151 HydrophobicContact CD2-CD1 4.2Å; F132-L151 HydrophobicContact CD2-CG 4.1Å; F132-L151 HydrophobicContact CE2-CD1 4.28Å; F132-L151 HydrophobicContact CE2-CG 4.4Å; F132-S154 WeakPolarHBondContact CA-OG 3.12Å; F132-S154 PolarHBondContact N-OG 3.04Å; F132-I155 HydrophobicContact CD2-CD1 4Å; F132-I155 HydrophobicContact CD2-CG1 3.92Å; F132-I155 HydrophobicContact CE2-CD1 3.97Å; F132-I155 HydrophobicContact CE2-CG1 4.34Å
133	L	94.9	Very high	90.5	Very high	60 Å²	60	50.1 Å²	50.1	31%	0.314	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-42.3	-177.3	-67.8	173.5	0	0	0	112.5	L129 F130 T131 K137 F607	L129-L133 HydrophobicContact CD1-CD1 4.36Å; L129-L133 HydrophobicContact CG-CD1 4.28Å; L129-L133 VanDerWaalsContact O-CG 3.32Å; L129-L133 WeakPolarHBondContact O-CG 3.3Å; L129-L133 PolarHBondContact O-N 2.86Å; F130-L133 PolarHBondContact O-N 3.35Å; T131-L133 PolarHBondContact O-N 3Å; L133-K137 PolarHBondContact O-N 3.01Å; L133-F607 HydrophobicContact CD1-CE2 4.3Å; L133-F607 HydrophobicContact CD1-CZ 3.83Å
134	I	94	Very high	89.7	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-73.6	-45.1	-178.3	-63.6	-59.7	0	0	0	111.3	F130 T131 F132 Y136 K137 L138 F600 E603 F604 F607	F130-I134 WeakPolarHBondContact O-CB 3.41Å; F130-I134 WeakPolarHBondContact O-CG1 3.28Å; F130-I134 PolarHBondContact O-N 3.14Å; T131-I134 PolarHBondContact O-N 3.43Å; F132-I134 VanDerWaalsContact C-N 3.34Å; F132-I134 PolarHBondContact O-N 3.47Å; I134-Y136 VanDerWaalsContact C-N 3.33Å; I134-Y136 PolarHBondContact O-N 2.9Å; I134-K137 PolarHBondContact O-N 3.37Å; I134-L138 HydrophobicContact CG2-CD1 3.77Å; I134-L138 HydrophobicContact CG2-CG 4.37Å; I134-L138 WeakPolarHBondContact O-CB 3.38Å; I134-L138 WeakPolarHBondContact O-CG 3.26Å; I134-L138 PolarHBondContact O-N 3.38Å; I134-F600 HydrophobicContact CB-CD2 4.24Å; I134-F600 HydrophobicContact CB-CE2 3.67Å; I134-F600 HydrophobicContact CB-CZ 4.09Å; I134-F600 HydrophobicContact CG1-CE2 4.31Å; I134-F600 HydrophobicContact CG1-CZ 4.22Å; I134-F600 HydrophobicContact CG2-CD2 3.5Å; I134-F600 HydrophobicContact CG2-CE2 3.48Å; I134-F600 VanDerWaalsContact CG2-CE2 3.48Å; I134-F600 HydrophobicContact CG2-CG 4.19Å; I134-F600 HydrophobicContact CG2-CZ 4.13Å; I134-E603 HydrophobicContact CD1-CB 4.4Å; I134-E603 HydrophobicContact CG2-CB 4.09Å; I134-F604 HydrophobicContact CD1-CB 4.3Å; I134-F604 HydrophobicContact CD1-CD2 4.41Å; I134-F604 HydrophobicContact CG1-CB 4.46Å; I134-F604 HydrophobicContact CG1-CD2 4.36Å; I134-F607 HydrophobicContact CD1-CB 3.9Å; I134-F607 HydrophobicContact CD1-CG 4.27Å
135	F	93	Very high	89.2	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-71.2	-28.9	178.2	-77.5	-64.1	0	0	0	113.1	T131 F132 K137 L138 R139 N147 L150 L151 Y593 F600	T131-F135 HydrophobicContact CG2-CD2 3.56Å; T131-F135 HydrophobicContact CG2-CE2 3.85Å; T131-F135 WeakPolarHBondContact O-CB 3.39Å; T131-F135 WeakPolarHBondContact O-CD2 3.16Å; T131-F135 PolarHBondContact O-N 3.26Å; F132-F135 PolarHBondContact O-N 3.31Å; F135-K137 VanDerWaalsContact C-N 3.29Å; F135-K137 PolarHBondContact O-N 3.41Å; F135-L138 HydrophobicContact CD1-CB 4.37Å; F135-L138 HydrophobicContact CD1-CD1 4.21Å; F135-L138 HydrophobicContact CE1-CD1 4.32Å; F135-L138 CarbonylContact O-C 3.59Å; F135-L138 PolarHBondContact O-N 2.92Å; F135-L138 VanDerWaalsContact O-N 3.1Å; F135-R139 PolarHBondContact O-N 2.94Å; F135-N147 HydrophobicContact CD1-CB 3.85Å; F135-N147 HydrophobicContact CE1-CB 4.46Å; F135-N147 WeakPolarHBondContact CE1-OD1 3.33Å; F135-L150 HydrophobicContact CD1-CB 4.32Å; F135-L150 HydrophobicContact CD1-CD1 4.46Å; F135-L150 HydrophobicContact CD2-CB 3.91Å; F135-L150 HydrophobicContact CE1-CB 4.26Å; F135-L150 HydrophobicContact CE1-CD1 3.67Å; F135-L150 HydrophobicContact CE2-CB 3.83Å; F135-L150 HydrophobicContact CE2-CD1 4.04Å; F135-L150 HydrophobicContact CG-CB 4.16Å; F135-L150 HydrophobicContact CZ-CB 4.03Å; F135-L150 HydrophobicContact CZ-CD1 3.43Å; F135-L150 VanDerWaalsContact CZ-CD1 3.43Å; F135-L150 HydrophobicContact CZ-CG 4.34Å; F135-L151 HydrophobicContact CB-CB 3.98Å; F135-Y593 AromaticContact CE2-CD2 3.77Å; F135-Y593 HydrophobicContact CE2-CD2 3.77Å; F135-Y593 AromaticContact CE2-CE2 3.82Å; F135-Y593 HydrophobicContact CE2-CE2 3.82Å; F135-Y593 HydrophobicContact CE2-CG 4.31Å; F135-Y593 HydrophobicContact CZ-CD2 4.46Å; F135-F600 HydrophobicContact CD2-CD2 4.46Å; F135-F600 HydrophobicContact CD2-CE2 4.12Å; F135-F600 HydrophobicContact CE1-CD2 4.42Å; F135-F600 AromaticContact CE2-CD2 3.83Å; F135-F600 HydrophobicContact CE2-CD2 3.83Å; F135-F600 AromaticContact CE2-CE2 3.73Å; F135-F600 HydrophobicContact CE2-CE2 3.73Å; F135-F600 AromaticContact CZ-CD2 3.8Å; F135-F600 HydrophobicContact CZ-CD2 3.8Å; F135-F600 HydrophobicContact CZ-CE2 4.19Å
136	Y	92.4	Very high	88.8	Confident	116 Å²	116	46.7 Å²	46.7	46%	0.455	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-44.3	171.4	-178.4	-99.2	0	0	0	110.7	F132 I134 R139 L151	F132-Y136 WeakPolarHBondContact O-CB 3.44Å; F132-Y136 PolarHBondContact O-N 2.88Å; I134-Y136 VanDerWaalsContact C-N 3.33Å; I134-Y136 PolarHBondContact O-N 2.9Å; Y136-R139 WeakPolarHBondContact O-CB 3.38Å; Y136-R139 VanDerWaalsContact O-CD 3.22Å; Y136-R139 WeakPolarHBondContact O-CD 3.35Å; Y136-R139 WeakPolarHBondContact O-CG 3.16Å; Y136-L151 HydrophobicContact CD2-CD1 4.07Å; Y136-L151 HydrophobicContact CG-CD1 4.39Å
137	K	90	Very high	88.5	Confident	108 Å²	108	43.5 Å²	43.5	47%	0.47	21%	0.21	S	C	.	.	H	α-helix	trans	-68	-36.9	173.7	-169.1	-177.6	-177.6	-165.7	0	112.4	L133 I134 F135 R139 E603	L133-K137 PolarHBondContact O-N 3.01Å; I134-K137 PolarHBondContact O-N 3.37Å; F135-K137 VanDerWaalsContact C-N 3.29Å; F135-K137 PolarHBondContact O-N 3.41Å; K137-R139 VanDerWaalsContact C-N 3.28Å; K137-R139 PolarHBondContact O-N 3.4Å; K137-E603 WeakPolarHBondContact CE-OE2 3.33Å; K137-E603 IonicContact NZ-OE2 2.77Å; K137-E603 PolarHBondContact NZ-OE2 3.2Å
138	L	87.2	Confident	88.3	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-80	-2.8	-178.5	-70.8	174.3	0	0	0	114.5	I134 F135 T140 T141 N147 K599 E603	I134-L138 HydrophobicContact CG2-CD1 3.77Å; I134-L138 HydrophobicContact CG2-CG 4.37Å; I134-L138 WeakPolarHBondContact O-CB 3.38Å; I134-L138 WeakPolarHBondContact O-CG 3.26Å; I134-L138 PolarHBondContact O-N 3.38Å; F135-L138 HydrophobicContact CD1-CB 4.37Å; F135-L138 HydrophobicContact CD1-CD1 4.21Å; F135-L138 HydrophobicContact CE1-CD1 4.32Å; F135-L138 CarbonylContact O-C 3.59Å; F135-L138 PolarHBondContact O-N 2.92Å; F135-L138 VanDerWaalsContact O-N 3.1Å; L138-T140 PolarHBondContact O-N 3.49Å; L138-T140 VanDerWaalsContact O-N 3.14Å; L138-T141 HydrophobicContact CB-CG2 4.21Å; L138-T141 HydrophobicContact CD2-CG2 3.52Å; L138-T141 WeakPolarHBondContact O-CB 3.45Å; L138-T141 WeakPolarHBondContact O-CG2 3.46Å; L138-T141 PolarHBondContact O-N 3.28Å; L138-T141 PolarHBondContact O-OG1 2.97Å; L138-N147 PolarHBondContact O-ND2 3.36Å; L138-K599 HydrophobicContact CD2-CD 4.41Å; L138-K599 HydrophobicContact CD2-CG 4.3Å; L138-E603 HydrophobicContact CD1-CG 4.49Å; L138-E603 HydrophobicContact CD2-CG 3.64Å; L138-E603 HydrophobicContact CG-CG 4.16Å
139	R	83.1	Confident	88.2	Confident	111 Å²	111	43.8 Å²	43.8	42%	0.419	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.8	-177.6	78.7	-173.3	177.3	166.3	-2.6	114.2	F135 Y136 K137 P144	F135-R139 PolarHBondContact O-N 2.94Å; Y136-R139 WeakPolarHBondContact O-CB 3.38Å; Y136-R139 VanDerWaalsContact O-CD 3.22Å; Y136-R139 WeakPolarHBondContact O-CD 3.35Å; Y136-R139 WeakPolarHBondContact O-CG 3.16Å; K137-R139 VanDerWaalsContact C-N 3.28Å; K137-R139 PolarHBondContact O-N 3.4Å; R139-P144 WeakPolarHBondContact O-CB 3.4Å
140	T	75.9	Confident	88.1	Confident	119 Å²	119	39.1 Å²	39.1	73%	0.73	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	7.3	179.8	57.7	0	0	0	0	113.2	L138	L138-T140 PolarHBondContact O-N 3.49Å; L138-T140 VanDerWaalsContact O-N 3.14Å
141	T	76.9	Confident	88.1	Confident	35 Å²	35	37.8 Å²	37.8	22%	0.215	18%	0.183	C	C	.	.	S	Bend	trans	-81.9	-179.5	179.4	73.6	0	0	0	0	112.7	L138 Y143 P144 N147 K599	L138-T141 HydrophobicContact CB-CG2 4.21Å; L138-T141 HydrophobicContact CD2-CG2 3.52Å; L138-T141 WeakPolarHBondContact O-CB 3.45Å; L138-T141 WeakPolarHBondContact O-CG2 3.46Å; L138-T141 PolarHBondContact O-N 3.28Å; L138-T141 PolarHBondContact O-OG1 2.97Å; T141-Y143 PolarHBondContact O-N 2.99Å; T141-Y143 VanDerWaalsContact O-N 3.16Å; T141-P144 WeakPolarHBondContact O-CD 3.37Å; T141-N147 PolarHBondContact OG1-ND2 2.91Å; T141-K599 PolarHBondContact OG1-NZ 3.38Å
142	L	68.5	Low	88.1	Confident	69 Å²	69	40.6 Å²	40.6	36%	0.361	20%	0.195	S	C	.	.	S	Bend	trans	-55.2	-26.8	-175.9	-172.5	62.3	0	0	0	116.6	P144 Y522	L142-P144 VanDerWaalsContact O-CD 3.24Å; L142-P144 WeakPolarHBondContact O-CD 3.48Å; L142-Y522 HydrophobicContact CD1-CE2 3.61Å; L142-Y522 HydrophobicContact CD2-CD2 3.61Å; L142-Y522 HydrophobicContact CD2-CE2 2.96Å; L142-Y522 VanDerWaalsContact CD2-CZ 3.42Å; L142-Y522 WeakPolarHBondContact CD2-OH 3.28Å; L142-Y522 HydrophobicContact CG-CE2 3.61Å; L142-Y522 WeakPolarHBondContact CG-OH 3.39Å
143	Y	75.1	Confident	88.2	Confident	20 Å²	20	37.2 Å²	37.2	8%	0.078	18%	0.18	C	C	.	.			trans	-119.8	65.6	175.4	-51.3	-68	0	0	0	110.4	T141 S145 N147 Y522 E525 M526 L529	T141-Y143 PolarHBondContact O-N 2.99Å; T141-Y143 VanDerWaalsContact O-N 3.16Å; Y143-S145 VanDerWaalsContact C-N 3.33Å; Y143-S145 PolarHBondContact O-N 3.32Å; Y143-N147 VanDerWaalsContact O-CG 3.27Å; Y143-N147 PolarHBondContact O-N 3.03Å; Y143-N147 PolarHBondContact O-ND2 2.89Å; Y143-Y522 WeakPolarHBondContact CE1-OH 3.39Å; Y143-Y522 AromaticContact CZ-CZ 3.75Å; Y143-Y522 WeakPolarHBondContact OH-CE1 3.35Å; Y143-Y522 PolarHBondContact OH-OH 2.99Å; Y143-E525 HydrophobicContact CE2-CB 4.28Å; Y143-M526 HydrophobicContact CD1-SD 3.9Å; Y143-M526 HydrophobicContact CE1-CE 3.79Å; Y143-M526 HydrophobicContact CE1-CG 4.03Å; Y143-M526 HydrophobicContact CE1-SD 3.07Å; Y143-M526 WeakPolarHBondContact CE1-SD 3.47Å; Y143-M526 HydrophobicContact CE2-SD 4.18Å; Y143-M526 WeakPolarHBondContact OH-CG 3.47Å; Y143-M526 PolarHBondContact OH-SD 3.09Å; Y143-L529 HydrophobicContact CD1-CD2 4.32Å; Y143-L529 HydrophobicContact CD2-CD2 3.88Å; Y143-L529 HydrophobicContact CG-CD2 3.68Å
144	P	80	Confident	88.3	Confident	25 Å²	25	34.6 Å²	34.6	16%	0.162	17%	0.166	C	C	.	.	H	α-helix	trans	-66.1	-36.9	-170.9	26.7	-30.8	0	0	0	111.5	R139 T141 L142 N147 I148 I227	R139-P144 WeakPolarHBondContact O-CB 3.4Å; T141-P144 WeakPolarHBondContact O-CD 3.37Å; L142-P144 VanDerWaalsContact O-CD 3.24Å; L142-P144 WeakPolarHBondContact O-CD 3.48Å; P144-N147 PolarHBondContact O-N 3.05Å; P144-I148 WeakPolarHBondContact O-CD1 3.37Å; P144-I148 VanDerWaalsContact O-CG1 3.23Å; P144-I148 WeakPolarHBondContact O-CG1 3.22Å; P144-I148 PolarHBondContact O-N 3.33Å; P144-I227 HydrophobicContact CB-CD1 3.68Å; P144-I227 HydrophobicContact CB-CG1 3.77Å; P144-I227 HydrophobicContact CG-CD1 3.32Å; P144-I227 HydrophobicContact CG-CG1 3.39Å
145	S	87.5	Confident	88.5	Confident	6 Å²	6	37.6 Å²	37.6	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-51.9	-178.8	64	0	0	0	0	113.3	Y143 N147 I148 Y149 E210 R211 H226	Y143-S145 VanDerWaalsContact C-N 3.33Å; Y143-S145 PolarHBondContact O-N 3.32Å; S145-N147 VanDerWaalsContact C-N 3.3Å; S145-N147 PolarHBondContact O-N 3.28Å; S145-I148 WeakPolarHBondContact O-CB 3.46Å; S145-I148 PolarHBondContact O-N 2.87Å; S145-I148 VanDerWaalsContact O-N 3.09Å; S145-Y149 WeakPolarHBondContact O-CD2 3.43Å; S145-Y149 PolarHBondContact O-N 3.13Å; S145-E210 WeakPolarHBondContact CB-OE1 3.16Å; S145-E210 PolarHBondContact OG-OE1 3.39Å; S145-R211 PolarHBondContact OG-NH2 3.34Å; S145-H226 WeakPolarHBondContact CB-O 3.49Å
146	S	89	Confident	88.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-41.6	175.5	-72.4	0	0	0	0	112.7	I148 Y149 L150 R211	S146-I148 PolarHBondContact O-N 2.95Å; S146-Y149 PolarHBondContact O-N 2.58Å; S146-L150 VanDerWaalsContact O-CG 3.3Å; S146-L150 WeakPolarHBondContact O-CG 3.46Å; S146-L150 PolarHBondContact O-N 2.92Å; S146-R211 PolarHBondContact OG-NE 3.39Å; S146-R211 PolarHBondContact OG-NH1 3.42Å; S146-R211 PolarHBondContact OG-NH2 3.29Å
147	N	90.7	Very high	89	Confident	9 Å²	9	32.9 Å²	32.9	5%	0.048	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-30.5	179.5	-65.2	-16	0	0	0	111.7	F135 L138 T141 Y143 P144 S145 L151	F135-N147 HydrophobicContact CD1-CB 3.85Å; F135-N147 HydrophobicContact CE1-CB 4.46Å; F135-N147 WeakPolarHBondContact CE1-OD1 3.33Å; L138-N147 PolarHBondContact O-ND2 3.36Å; T141-N147 PolarHBondContact OG1-ND2 2.91Å; Y143-N147 VanDerWaalsContact O-CG 3.27Å; Y143-N147 PolarHBondContact O-N 3.03Å; Y143-N147 PolarHBondContact O-ND2 2.89Å; P144-N147 PolarHBondContact O-N 3.05Å; S145-N147 VanDerWaalsContact C-N 3.3Å; S145-N147 PolarHBondContact O-N 3.28Å; N147-L151 VanDerWaalsContact O-CB 3.32Å; N147-L151 WeakPolarHBondContact O-CB 3.37Å; N147-L151 PolarHBondContact O-N 3.04Å
148	I	93.6	Very high	89.3	Confident	7 Å²	7	30 Å²	30	4%	0.036	15%	0.153	C	C	.	.	H	α-helix	trans	-64.8	-51.3	174.4	-71.4	160.2	0	0	0	110.2	P144 S145 S146 L150 L151 F152 I227 Y231 I234	P144-I148 WeakPolarHBondContact O-CD1 3.37Å; P144-I148 VanDerWaalsContact O-CG1 3.23Å; P144-I148 WeakPolarHBondContact O-CG1 3.22Å; P144-I148 PolarHBondContact O-N 3.33Å; S145-I148 WeakPolarHBondContact O-CB 3.46Å; S145-I148 PolarHBondContact O-N 2.87Å; S145-I148 VanDerWaalsContact O-N 3.09Å; S146-I148 PolarHBondContact O-N 2.95Å; I148-L150 VanDerWaalsContact C-N 3.33Å; I148-L150 PolarHBondContact O-N 3.47Å; I148-L151 WeakPolarHBondContact O-CB 3.37Å; I148-L151 PolarHBondContact O-N 3.02Å; I148-F152 HydrophobicContact CG2-CD2 3.8Å; I148-F152 HydrophobicContact CG2-CE2 3.81Å; I148-F152 VanDerWaalsContact O-CD2 3.3Å; I148-F152 WeakPolarHBondContact O-CD2 3.18Å; I148-F152 PolarHBondContact O-N 3.28Å; I148-I227 HydrophobicContact CD1-CG2 3.77Å; I148-Y231 HydrophobicContact CD1-CD2 4.32Å; I148-Y231 HydrophobicContact CD1-CE2 3.62Å; I148-Y231 HydrophobicContact CG1-CE2 4.43Å; I148-Y231 HydrophobicContact CG2-CD1 4.44Å; I148-Y231 HydrophobicContact CG2-CE1 4.1Å; I148-I234 HydrophobicContact CG2-CD1 3.9Å
149	Y	95.2	Very high	89.8	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-43.4	176.1	-66.5	-76.7	0	0	0	112.4	S145 S146 L151 F152 L153 I203 L206 I207 E210 S230 F233 I234	S145-Y149 WeakPolarHBondContact O-CD2 3.43Å; S145-Y149 PolarHBondContact O-N 3.13Å; S146-Y149 PolarHBondContact O-N 2.58Å; Y149-L151 VanDerWaalsContact C-N 3.29Å; Y149-L151 PolarHBondContact O-N 3.48Å; Y149-F152 PolarHBondContact O-N 3.24Å; Y149-L153 VanDerWaalsContact O-CB 3.26Å; Y149-L153 WeakPolarHBondContact O-CB 3.3Å; Y149-L153 PolarHBondContact O-N 3.12Å; Y149-I203 HydrophobicContact CD1-CG2 4.35Å; Y149-L206 HydrophobicContact CD1-CB 4.35Å; Y149-L206 HydrophobicContact CE1-CB 3.82Å; Y149-L206 HydrophobicContact CE1-CD1 4.23Å; Y149-I207 HydrophobicContact CD2-CB 4.31Å; Y149-I207 HydrophobicContact CD2-CD1 4.5Å; Y149-I207 HydrophobicContact CD2-CG1 4.25Å; Y149-I207 HydrophobicContact CG-CB 4.21Å; Y149-E210 WeakPolarHBondContact CE2-OE2 3.3Å; Y149-E210 PolarHBondContact OH-OE2 3.44Å; Y149-E210 VanDerWaalsContact OH-OE2 3.13Å; Y149-S230 VanDerWaalsContact CE2-CB 3.49Å; Y149-S230 WeakPolarHBondContact OH-CA 3.47Å; Y149-F233 WeakPolarHBondContact OH-CD2 3.32Å; Y149-I234 HydrophobicContact CD1-CD1 3.68Å; Y149-I234 HydrophobicContact CD1-CG1 3.75Å; Y149-I234 HydrophobicContact CE1-CD1 4.04Å; Y149-I234 HydrophobicContact CE1-CG1 3.79Å; Y149-I234 HydrophobicContact CG-CD1 4.34Å
150	L	94.6	Very high	90.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-33.8	179.2	-66.3	173.2	0	0	0	112.4	F135 S146 I148 L153 S154 I207 L533 I536 Y593	F135-L150 HydrophobicContact CD1-CB 4.32Å; F135-L150 HydrophobicContact CD1-CD1 4.46Å; F135-L150 HydrophobicContact CD2-CB 3.91Å; F135-L150 HydrophobicContact CE1-CB 4.26Å; F135-L150 HydrophobicContact CE1-CD1 3.67Å; F135-L150 HydrophobicContact CE2-CB 3.83Å; F135-L150 HydrophobicContact CE2-CD1 4.04Å; F135-L150 HydrophobicContact CG-CB 4.16Å; F135-L150 HydrophobicContact CZ-CB 4.03Å; F135-L150 HydrophobicContact CZ-CD1 3.43Å; F135-L150 VanDerWaalsContact CZ-CD1 3.43Å; F135-L150 HydrophobicContact CZ-CG 4.34Å; S146-L150 VanDerWaalsContact O-CG 3.3Å; S146-L150 WeakPolarHBondContact O-CG 3.46Å; S146-L150 PolarHBondContact O-N 2.92Å; I148-L150 VanDerWaalsContact C-N 3.33Å; I148-L150 PolarHBondContact O-N 3.47Å; L150-L153 HydrophobicContact CD2-CD2 4.47Å; L150-S154 PolarHBondContact O-N 3.32Å; L150-S154 VanDerWaalsContact O-N 3.16Å; L150-I207 HydrophobicContact CD1-CD1 4.48Å; L150-I207 HydrophobicContact CD2-CD1 3.94Å; L150-I207 HydrophobicContact CG-CD1 3.85Å; L150-L533 HydrophobicContact CD1-CD2 4.22Å; L150-L533 HydrophobicContact CD2-CD2 3.96Å; L150-L533 HydrophobicContact CG-CD2 4.42Å; L150-I536 HydrophobicContact CD2-CD1 3.71Å; L150-Y593 HydrophobicContact CD2-CE1 4.43Å
151	L	95.6	Very high	91.5	Very high	20 Å²	20	20.9 Å²	20.9	11%	0.105	11%	0.111	C	C	.	.	H	α-helix	trans	-63.9	-50.5	171.5	174.4	138.7	0	0	0	111.3	F132 F135 Y136 N147 I148 Y149 L153 S154 I155	F132-L151 HydrophobicContact CD2-CD1 4.2Å; F132-L151 HydrophobicContact CD2-CG 4.1Å; F132-L151 HydrophobicContact CE2-CD1 4.28Å; F132-L151 HydrophobicContact CE2-CG 4.4Å; F135-L151 HydrophobicContact CB-CB 3.98Å; Y136-L151 HydrophobicContact CD2-CD1 4.07Å; Y136-L151 HydrophobicContact CG-CD1 4.39Å; N147-L151 VanDerWaalsContact O-CB 3.32Å; N147-L151 WeakPolarHBondContact O-CB 3.37Å; N147-L151 PolarHBondContact O-N 3.04Å; I148-L151 WeakPolarHBondContact O-CB 3.37Å; I148-L151 PolarHBondContact O-N 3.02Å; Y149-L151 VanDerWaalsContact C-N 3.29Å; Y149-L151 PolarHBondContact O-N 3.48Å; L151-L153 VanDerWaalsContact C-N 3.32Å; L151-L153 PolarHBondContact O-N 3.22Å; L151-S154 PolarHBondContact O-N 3.48Å; L151-S154 PolarHBondContact O-OG 3.47Å; L151-I155 HydrophobicContact CD2-CD1 4.22Å; L151-I155 PolarHBondContact O-N 3.46Å
152	F	97.2	Very high	92.5	Very high	59 Å²	59	25 Å²	25	26%	0.259	13%	0.126	S	C	.	.	H	α-helix	trans	-65.5	-37.1	178.7	-81.8	-79.4	0	0	0	112	I148 Y149 S154 I155 I156 I203 Y231 I234	I148-F152 HydrophobicContact CG2-CD2 3.8Å; I148-F152 HydrophobicContact CG2-CE2 3.81Å; I148-F152 VanDerWaalsContact O-CD2 3.3Å; I148-F152 WeakPolarHBondContact O-CD2 3.18Å; I148-F152 PolarHBondContact O-N 3.28Å; Y149-F152 PolarHBondContact O-N 3.24Å; F152-S154 VanDerWaalsContact C-N 3.29Å; F152-S154 PolarHBondContact O-N 2.92Å; F152-I155 PolarHBondContact O-N 2.96Å; F152-I155 VanDerWaalsContact O-N 3.11Å; F152-I156 WeakPolarHBondContact O-CG1 3.32Å; F152-I156 PolarHBondContact O-N 3.31Å; F152-I203 HydrophobicContact CB-CD1 4.21Å; F152-Y231 HydrophobicContact CE2-CD1 4.24Å; F152-Y231 AromaticContact CE2-CE1 3.86Å; F152-Y231 HydrophobicContact CE2-CE1 3.86Å; F152-Y231 HydrophobicContact CZ-CE1 4.24Å; F152-I234 HydrophobicContact CB-CD1 4.17Å; F152-I234 HydrophobicContact CD1-CG2 4.15Å; F152-I234 HydrophobicContact CD2-CD1 3.48Å; F152-I234 VanDerWaalsContact CD2-CD1 3.48Å; F152-I234 HydrophobicContact CD2-CG2 4.36Å; F152-I234 HydrophobicContact CE1-CG2 4.43Å; F152-I234 HydrophobicContact CE2-CD1 4.08Å; F152-I234 HydrophobicContact CG-CD1 3.98Å; F152-I234 HydrophobicContact CG-CG2 4.11Å
153	L	97	Very high	93.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-56.6	-44.1	174.9	-173.3	59	0	0	0	110.9	Y149 L150 L151 I155 I156 D157 I203 I204	Y149-L153 VanDerWaalsContact O-CB 3.26Å; Y149-L153 WeakPolarHBondContact O-CB 3.3Å; Y149-L153 PolarHBondContact O-N 3.12Å; L150-L153 HydrophobicContact CD2-CD2 4.47Å; L151-L153 VanDerWaalsContact C-N 3.32Å; L151-L153 PolarHBondContact O-N 3.22Å; L153-I155 VanDerWaalsContact C-N 3.3Å; L153-I155 PolarHBondContact O-N 3.34Å; L153-I156 PolarHBondContact O-N 3.47Å; L153-D157 VanDerWaalsContact O-CB 3.26Å; L153-D157 WeakPolarHBondContact O-CB 3.43Å; L153-D157 VanDerWaalsContact O-CG 3.24Å; L153-D157 PolarHBondContact O-N 3.42Å; L153-I203 HydrophobicContact CB-CG2 3.92Å; L153-I203 HydrophobicContact CD1-CB 4.26Å; L153-I203 HydrophobicContact CD1-CG2 4.09Å; L153-I203 HydrophobicContact CG-CG2 4.43Å; L153-I204 HydrophobicContact CD1-CG1 4.21Å; L153-I204 HydrophobicContact CD2-CG1 4.18Å
154	S	97.4	Very high	94.5	Very high	5 Å²	5	22.5 Å²	22.5	4%	0.035	12%	0.117	C	C	.	.	H	α-helix	trans	-64.2	-30.6	177.7	67.4	0	0	0	0	114.5	F132 L150 L151 F152 E158	F132-S154 WeakPolarHBondContact CA-OG 3.12Å; F132-S154 PolarHBondContact N-OG 3.04Å; L150-S154 PolarHBondContact O-N 3.32Å; L150-S154 VanDerWaalsContact O-N 3.16Å; L151-S154 PolarHBondContact O-N 3.48Å; L151-S154 PolarHBondContact O-OG 3.47Å; F152-S154 VanDerWaalsContact C-N 3.29Å; F152-S154 PolarHBondContact O-N 2.92Å; S154-E158 PolarHBondContact O-N 3.23Å
155	I	98	Very high	95.2	Very high	66 Å²	66	21.3 Å²	21.3	34%	0.338	11%	0.109	S	C	.	.	H	α-helix	trans	-72.6	-46	175.4	-61.7	170.4	0	0	0	109.5	F132 L151 F152 L153 E158 C159	F132-I155 HydrophobicContact CD2-CD1 4Å; F132-I155 HydrophobicContact CD2-CG1 3.92Å; F132-I155 HydrophobicContact CE2-CD1 3.97Å; F132-I155 HydrophobicContact CE2-CG1 4.34Å; L151-I155 HydrophobicContact CD2-CD1 4.22Å; L151-I155 PolarHBondContact O-N 3.46Å; F152-I155 PolarHBondContact O-N 2.96Å; F152-I155 VanDerWaalsContact O-N 3.11Å; L153-I155 VanDerWaalsContact C-N 3.3Å; L153-I155 PolarHBondContact O-N 3.34Å; I155-E158 WeakPolarHBondContact O-CB 3.41Å; I155-E158 PolarHBondContact O-N 3.45Å; I155-C159 PolarHBondContact O-N 3.34Å; I155-C159 VanDerWaalsContact O-N 3.13Å; I155-C159 PolarHBondContact O-SG 3.35Å
156	I	98	Very high	95.6	Very high	22 Å²	22	22.2 Å²	22.2	11%	0.113	11%	0.114	C	C	.	.	H	α-helix	trans	-72.4	-36.5	-176.4	-59.6	-66.1	0	0	0	111.4	F152 L153 E158 C159 V160 T196 I199 I203	F152-I156 WeakPolarHBondContact O-CG1 3.32Å; F152-I156 PolarHBondContact O-N 3.31Å; L153-I156 PolarHBondContact O-N 3.47Å; I156-E158 PolarHBondContact O-N 3.13Å; I156-C159 WeakPolarHBondContact O-CB 3.26Å; I156-C159 PolarHBondContact O-N 2.96Å; I156-C159 VanDerWaalsContact O-N 3.1Å; I156-V160 WeakPolarHBondContact O-CG2 3.29Å; I156-V160 PolarHBondContact O-N 3.2Å; I156-T196 WeakPolarHBondContact CG2-O 3.25Å; I156-I199 HydrophobicContact CB-CG2 4.39Å; I156-I199 HydrophobicContact CD1-CB 4.48Å; I156-I199 HydrophobicContact CD1-CG2 3.85Å; I156-I199 HydrophobicContact CG1-CG2 3.73Å; I156-I199 HydrophobicContact CG2-CB 3.96Å; I156-I199 HydrophobicContact CG2-CG2 3.93Å; I156-I203 HydrophobicContact CG1-CD1 4.13Å
157	D	97.6	Very high	95.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.5	-31.6	172.8	-76.2	-14.3	0	0	0	111.9	L153 V160 L161 S200 H586 N589	L153-D157 VanDerWaalsContact O-CB 3.26Å; L153-D157 WeakPolarHBondContact O-CB 3.43Å; L153-D157 VanDerWaalsContact O-CG 3.24Å; L153-D157 PolarHBondContact O-N 3.42Å; D157-V160 WeakPolarHBondContact O-CA 3.26Å; D157-L161 WeakPolarHBondContact O-CG 3.3Å; D157-L161 PolarHBondContact O-N 2.96Å; D157-L161 VanDerWaalsContact O-N 3.07Å; D157-S200 PolarHBondContact OD1-OG 2.98Å; D157-H586 HydrophobicContact CB-CB 4.14Å; D157-H586 IonicContact OD1-CE1 4Å; D157-H586 IonicContact OD1-CG 3.4Å; D157-H586 IonicContact OD1-ND1 3.68Å; D157-H586 PolarHBondContact OD1-ND1 2.98Å; D157-N589 PolarHBondContact OD2-ND2 3.33Å
158	E	98	Very high	95.8	Very high	47 Å²	47	24.7 Å²	24.7	22%	0.22	12%	0.122	C	C	.	.	H	α-helix	trans	-69.4	-42.4	170.5	-169.2	62.3	-165.9	0	0	111.6	T125 S154 I155 I156 L161 F162	T125-E158 VanDerWaalsContact CA-OE2 3.32Å; T125-E158 WeakPolarHBondContact CA-OE2 3.46Å; T125-E158 WeakPolarHBondContact CB-OE1 3.29Å; T125-E158 WeakPolarHBondContact CG2-OE1 3.38Å; T125-E158 PolarHBondContact OG1-OE1 3.16Å; S154-E158 PolarHBondContact O-N 3.23Å; I155-E158 WeakPolarHBondContact O-CB 3.41Å; I155-E158 PolarHBondContact O-N 3.45Å; I156-E158 PolarHBondContact O-N 3.13Å; E158-L161 PolarHBondContact O-N 3.33Å; E158-F162 WeakPolarHBondContact O-CB 3.47Å; E158-F162 PolarHBondContact O-N 2.94Å
159	C	97.7	Very high	95.7	Very high	46 Å²	46	27 Å²	27	31%	0.311	13%	0.131	S	C	.	.	H	α-helix	trans	-62.5	-51.8	176.4	-62.4	0	0	0	0	112.2	I155 I156 F162 T163 T196	I155-C159 PolarHBondContact O-N 3.34Å; I155-C159 VanDerWaalsContact O-N 3.13Å; I155-C159 PolarHBondContact O-SG 3.35Å; I156-C159 WeakPolarHBondContact O-CB 3.26Å; I156-C159 PolarHBondContact O-N 2.96Å; I156-C159 VanDerWaalsContact O-N 3.1Å; C159-F162 PolarHBondContact O-N 3.09Å; C159-T163 WeakPolarHBondContact O-CB 3.2Å; C159-T163 VanDerWaalsContact O-CG2 3.31Å; C159-T163 WeakPolarHBondContact O-CG2 3.29Å; C159-T163 PolarHBondContact O-N 3.45Å; C159-T163 PolarHBondContact O-OG1 2.8Å; C159-T196 HydrophobicContact CB-CG2 3.63Å
160	V	97.1	Very high	95.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	6.7	-97.7	132.7	-131.8	0	0	0	0	118.4	M1 I156 D157 F162 T163 G164 T196 Y583	M1-V160 HydrophobicContact CE-CG1 4.22Å; I156-V160 WeakPolarHBondContact O-CG2 3.29Å; I156-V160 PolarHBondContact O-N 3.2Å; D157-V160 WeakPolarHBondContact O-CA 3.26Å; V160-F162 VanDerWaalsContact C-N 3.27Å; V160-F162 PolarHBondContact O-N 3.31Å; V160-T163 PolarHBondContact O-N 3.07Å; V160-G164 PolarHBondContact O-N 2.81Å; V160-T196 VanDerWaalsContact CG2-C 3.47Å; V160-Y583 HydrophobicContact CG1-CE1 4.38Å
161	L	97.5	Very high	95.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-35.8	-177.2	-66.5	171.7	0	0	0	112.4	I120 F121 D157 E158 L165 L166 Y583 H586	I120-L161 HydrophobicContact CG2-CD2 4.23Å; F121-L161 HydrophobicContact CD2-CB 4Å; F121-L161 HydrophobicContact CE2-CB 4.19Å; D157-L161 WeakPolarHBondContact O-CG 3.3Å; D157-L161 PolarHBondContact O-N 2.96Å; D157-L161 VanDerWaalsContact O-N 3.07Å; E158-L161 PolarHBondContact O-N 3.33Å; L161-L165 HydrophobicContact CD2-CB 4.31Å; L161-L165 HydrophobicContact CD2-CD2 3.79Å; L161-L165 WeakPolarHBondContact O-CA 3.42Å; L161-L165 WeakPolarHBondContact O-CB 3.24Å; L161-L165 PolarHBondContact O-N 3.49Å; L161-L165 VanDerWaalsContact O-N 3.1Å; L161-L166 PolarHBondContact O-N 2.87Å; L161-Y583 HydrophobicContact CD2-CD1 4.37Å; L161-H586 HydrophobicContact CD2-CB 4.06Å; L161-H586 HydrophobicContact CG-CB 4.06Å
162	F	96.4	Very high	94.7	Very high	122 Å²	122	30.9 Å²	30.9	54%	0.535	15%	0.15	S	C	.	.	I	π-helix	trans	-70.2	-51.4	-179.8	-167.8	-88	0	0	0	112.5	F121 E158 C159 V160 L166 R167	F121-F162 HydrophobicContact CZ-CD2 4.49Å; E158-F162 WeakPolarHBondContact O-CB 3.47Å; E158-F162 PolarHBondContact O-N 2.94Å; C159-F162 PolarHBondContact O-N 3.09Å; V160-F162 VanDerWaalsContact C-N 3.27Å; V160-F162 PolarHBondContact O-N 3.31Å; F162-L166 HydrophobicContact CD2-CD2 3.51Å; F162-L166 HydrophobicContact CE2-CD2 3.5Å; F162-L166 HydrophobicContact CG-CD2 4.21Å; F162-L166 HydrophobicContact CZ-CD2 4.21Å; F162-R167 PolarHBondContact O-N 2.99Å
163	T	94.1	Very high	94.2	Very high	28 Å²	28	32.3 Å²	32.3	17%	0.172	16%	0.16	C	C	.	.	I	π-helix	trans	-79	-28.2	-173.3	58.5	0	0	0	0	112.5	C159 V160 R167 I192 T196	C159-T163 WeakPolarHBondContact O-CB 3.2Å; C159-T163 VanDerWaalsContact O-CG2 3.31Å; C159-T163 WeakPolarHBondContact O-CG2 3.29Å; C159-T163 PolarHBondContact O-N 3.45Å; C159-T163 PolarHBondContact O-OG1 2.8Å; V160-T163 PolarHBondContact O-N 3.07Å; T163-R167 WeakPolarHBondContact O-CB 3.39Å; T163-R167 PolarHBondContact O-NE 2.99Å; T163-I192 HydrophobicContact CG2-CG2 3.46Å; T163-I192 VanDerWaalsContact CG2-CG2 3.46Å; T163-T196 PolarHBondContact OG1-OG1 2.92Å
164	G	92.7	Very high	93.7	Very high	7 Å²	7	37 Å²	37	7%	0.072	19%	0.185	C	C	.	.	I	π-helix	trans	-95.5	-76.4	176.4	0	0	0	0	0	113	V160 R168 Y583	V160-G164 PolarHBondContact O-N 2.81Å; G164-R168 WeakPolarHBondContact O-CB 3.21Å; G164-R168 VanDerWaalsContact O-CG 3.28Å; G164-R168 WeakPolarHBondContact O-CG 3.25Å; G164-R168 PolarHBondContact O-N 3.49Å; G164-Y583 VanDerWaalsContact C-OH 3.29Å; G164-Y583 VanDerWaalsContact CA-OH 3.31Å; G164-Y583 WeakPolarHBondContact CA-OH 3.47Å
165	L	94.9	Very high	92.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-66.4	-52.6	-167.9	-176.1	69.6	0	0	0	113	P117 I120 F121 L161 R168 W169 Y583	P117-L165 HydrophobicContact CB-CD1 3.73Å; P117-L165 HydrophobicContact CB-CG 4.18Å; P117-L165 HydrophobicContact CG-CD1 4.21Å; I120-L165 HydrophobicContact CB-CD2 3.8Å; I120-L165 HydrophobicContact CG2-CD2 3.57Å; F121-L165 HydrophobicContact CB-CD2 4.05Å; L161-L165 HydrophobicContact CD2-CB 4.31Å; L161-L165 HydrophobicContact CD2-CD2 3.79Å; L161-L165 WeakPolarHBondContact O-CA 3.42Å; L161-L165 WeakPolarHBondContact O-CB 3.24Å; L161-L165 PolarHBondContact O-N 3.49Å; L161-L165 VanDerWaalsContact O-N 3.1Å; L165-R168 PolarHBondContact O-N 2.86Å; L165-W169 WeakPolarHBondContact O-CB 2.95Å; L165-W169 PolarHBondContact O-N 2.99Å; L165-Y583 HydrophobicContact CB-CD1 3.74Å; L165-Y583 HydrophobicContact CB-CD2 4.33Å; L165-Y583 HydrophobicContact CB-CE1 3.83Å; L165-Y583 HydrophobicContact CB-CE2 4.4Å; L165-Y583 HydrophobicContact CB-CG 4.01Å; L165-Y583 HydrophobicContact CD1-CD1 4.42Å; L165-Y583 HydrophobicContact CD1-CD2 3.59Å; L165-Y583 HydrophobicContact CD1-CE2 4.05Å; L165-Y583 HydrophobicContact CD1-CG 3.8Å; L165-Y583 HydrophobicContact CG-CG 4.33Å
166	L	95.4	Very high	92.2	Very high	25 Å²	25	41.4 Å²	41.4	13%	0.131	21%	0.208	C	C	.	.	I	π-helix	trans	-61.6	-46.8	-179.2	175	64.2	0	0	0	110.6	F121 L161 F162 R168 W169 L170	F121-L166 HydrophobicContact CD2-CB 3.87Å; F121-L166 HydrophobicContact CE1-CD1 4.46Å; F121-L166 HydrophobicContact CE1-CD2 4.41Å; F121-L166 HydrophobicContact CE2-CB 3.69Å; F121-L166 HydrophobicContact CE2-CD2 4Å; F121-L166 HydrophobicContact CE2-CG 4.3Å; F121-L166 HydrophobicContact CZ-CB 4.27Å; F121-L166 HydrophobicContact CZ-CD1 4.47Å; F121-L166 HydrophobicContact CZ-CD2 3.77Å; F121-L166 HydrophobicContact CZ-CG 4.39Å; L161-L166 PolarHBondContact O-N 2.87Å; F162-L166 HydrophobicContact CD2-CD2 3.51Å; F162-L166 HydrophobicContact CE2-CD2 3.5Å; F162-L166 HydrophobicContact CG-CD2 4.21Å; F162-L166 HydrophobicContact CZ-CD2 4.21Å; L166-R168 PolarHBondContact O-N 3.43Å; L166-W169 HydrophobicContact CD1-CE3 3.86Å; L166-W169 HydrophobicContact CD1-CZ3 4.15Å; L166-W169 PolarHBondContact O-N 2.76Å; L166-L170 HydrophobicContact CD1-CD1 4.28Å; L166-L170 HydrophobicContact CD1-CG 4.22Å; L166-L170 HydrophobicContact CG-CD1 4.12Å; L166-L170 HydrophobicContact CG-CG 4.47Å; L166-L170 WeakPolarHBondContact O-CB 3.35Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.38Å; L166-L170 PolarHBondContact O-N 3.47Å
167	R	93.6	Very high	91.5	Very high	35 Å²	35	43 Å²	43	13%	0.132	21%	0.212	C	C	.	.	H	α-helix	trans	-52.9	-54.3	174.3	-179.4	-163.8	65.7	132.1	-3.2	111.6	F162 T163 W169 L170 D171 L178 E179 I189	F162-R167 PolarHBondContact O-N 2.99Å; T163-R167 WeakPolarHBondContact O-CB 3.39Å; T163-R167 PolarHBondContact O-NE 2.99Å; R167-W169 VanDerWaalsContact C-N 3.3Å; R167-W169 PolarHBondContact O-N 2.97Å; R167-L170 CarbonylContact O-C 3.59Å; R167-L170 WeakPolarHBondContact O-CB 3.32Å; R167-L170 PolarHBondContact O-N 3.19Å; R167-L170 VanDerWaalsContact O-N 3.14Å; R167-D171 VanDerWaalsContact O-CG 3.32Å; R167-D171 PolarHBondContact O-N 2.77Å; R167-L178 HydrophobicContact CG-CD1 4.12Å; R167-E179 IonicContact NH1-OE2 3.26Å; R167-E179 PolarHBondContact NH1-OE2 3.42Å; R167-I189 VanDerWaalsContact CD-CG2 3.44Å
168	R	90.3	Very high	91	Very high	26 Å²	26	45.3 Å²	45.3	10%	0.098	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-35.8	-177.1	-71.8	-179	71.8	132.8	1.6	112.5	W113 G164 L165 L166 D171 K172 E579	W113-R168 HydrophobicContact CH2-CB 4.08Å; W113-R168 HydrophobicContact CZ3-CB 3.78Å; G164-R168 WeakPolarHBondContact O-CB 3.21Å; G164-R168 VanDerWaalsContact O-CG 3.28Å; G164-R168 WeakPolarHBondContact O-CG 3.25Å; G164-R168 PolarHBondContact O-N 3.49Å; L165-R168 PolarHBondContact O-N 2.86Å; L166-R168 PolarHBondContact O-N 3.43Å; R168-D171 PolarHBondContact O-N 2.84Å; R168-K172 PolarHBondContact O-N 2.92Å; R168-K172 VanDerWaalsContact O-N 3.09Å; R168-E579 IonicContact CZ-OE1 3.22Å; R168-E579 VanDerWaalsContact CZ-OE1 3.26Å; R168-E579 IonicContact CZ-OE2 2.82Å; R168-E579 IonicContact NE-OE2 2.78Å; R168-E579 IonicContact NH1-OE1 3.54Å; R168-E579 PolarHBondContact NH1-OE1 2.9Å; R168-E579 IonicContact NH1-OE2 3.87Å; R168-E579 PolarHBondContact NH1-OE2 3.26Å; R168-E579 IonicContact NH2-OE1 3.83Å; R168-E579 PolarHBondContact NH2-OE1 3.23Å; R168-E579 IonicContact NH2-OE2 3.29Å; R168-E579 PolarHBondContact NH2-OE2 3.32Å
169	W	92.6	Very high	90.5	Very high	55 Å²	55	43.9 Å²	43.9	21%	0.208	22%	0.218	C	C	.	.	H	α-helix	trans	-65.7	-42.4	173.6	179.8	51.1	0	0	0	111.5	P117 P118 L165 L166 R167 D171 K172 L173	P117-W169 HydrophobicContact CB-CB 3.85Å; P117-W169 HydrophobicContact CB-CG 3.89Å; P118-W169 HydrophobicContact CB-CD2 4.33Å; P118-W169 HydrophobicContact CB-CE3 4.44Å; P118-W169 HydrophobicContact CB-CH2 3.7Å; P118-W169 HydrophobicContact CB-CZ2 3.51Å; P118-W169 HydrophobicContact CB-CZ3 4.15Å; P118-W169 HydrophobicContact CG-CH2 4.41Å; P118-W169 HydrophobicContact CG-CZ2 3.72Å; L165-W169 WeakPolarHBondContact O-CB 2.95Å; L165-W169 PolarHBondContact O-N 2.99Å; L166-W169 HydrophobicContact CD1-CE3 3.86Å; L166-W169 HydrophobicContact CD1-CZ3 4.15Å; L166-W169 PolarHBondContact O-N 2.76Å; R167-W169 VanDerWaalsContact C-N 3.3Å; R167-W169 PolarHBondContact O-N 2.97Å; W169-D171 VanDerWaalsContact C-N 3.32Å; W169-D171 PolarHBondContact O-N 3.5Å; W169-K172 PolarHBondContact O-N 3.38Å; W169-L173 HydrophobicContact CD2-CD1 3.89Å; W169-L173 HydrophobicContact CD2-CG 4.44Å; W169-L173 VanDerWaalsContact CE2-CD1 3.43Å; W169-L173 HydrophobicContact CE3-CD1 4.33Å; W169-L173 HydrophobicContact CG-CD1 4.45Å; W169-L173 HydrophobicContact CH2-CD1 3.96Å; W169-L173 HydrophobicContact CZ2-CD1 3.49Å; W169-L173 VanDerWaalsContact CZ2-CD1 3.49Å; W169-L173 HydrophobicContact CZ2-CG 4.34Å; W169-L173 HydrophobicContact CZ3-CD1 4.36Å; W169-L173 WeakPolarHBondContact O-CG 3.45Å; W169-L173 PolarHBondContact O-N 3.46Å
170	L	91.6	Very high	90	Very high	61 Å²	61	42.4 Å²	42.4	32%	0.319	21%	0.207	S	C	.	.	H	α-helix	trans	-61.8	-40	172.2	-71.1	173.3	0	0	0	111.8	L166 R167 K172 L173 L174 L178	L166-L170 HydrophobicContact CD1-CD1 4.28Å; L166-L170 HydrophobicContact CD1-CG 4.22Å; L166-L170 HydrophobicContact CG-CD1 4.12Å; L166-L170 HydrophobicContact CG-CG 4.47Å; L166-L170 WeakPolarHBondContact O-CB 3.35Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.38Å; L166-L170 PolarHBondContact O-N 3.47Å; R167-L170 CarbonylContact O-C 3.59Å; R167-L170 WeakPolarHBondContact O-CB 3.32Å; R167-L170 PolarHBondContact O-N 3.19Å; R167-L170 VanDerWaalsContact O-N 3.14Å; L170-K172 VanDerWaalsContact C-N 3.27Å; L170-K172 PolarHBondContact O-N 3.46Å; L170-L173 PolarHBondContact O-N 2.98Å; L170-L174 VanDerWaalsContact O-CB 3.31Å; L170-L174 WeakPolarHBondContact O-CB 3.21Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 2.88Å; L170-L178 HydrophobicContact CB-CD1 4.26Å
171	D	87.6	Confident	89.6	Confident	20 Å²	20	48.4 Å²	48.4	11%	0.107	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-43.2	176.8	-67.9	-29.7	0	0	0	110.8	R167 R168 W169 N175 I176 L178	R167-D171 VanDerWaalsContact O-CG 3.32Å; R167-D171 PolarHBondContact O-N 2.77Å; R168-D171 PolarHBondContact O-N 2.84Å; W169-D171 VanDerWaalsContact C-N 3.32Å; W169-D171 PolarHBondContact O-N 3.5Å; D171-N175 WeakPolarHBondContact O-CA 3.4Å; D171-N175 PolarHBondContact O-N 3.28Å; D171-I176 CarbonylContact C-O 3.46Å; D171-I176 WeakPolarHBondContact CA-O 3.31Å; D171-I176 VanDerWaalsContact CB-O 3.26Å; D171-I176 WeakPolarHBondContact CB-O 3.31Å; D171-I176 PolarHBondContact O-N 2.85Å; D171-L178 VanDerWaalsContact OD1-CB 3.28Å; D171-L178 WeakPolarHBondContact OD1-CB 3.38Å; D171-L178 WeakPolarHBondContact OD1-CD1 3.45Å; D171-L178 WeakPolarHBondContact OD1-CG 3.44Å; D171-L178 PolarHBondContact OD1-N 2.99Å
172	K	84.2	Confident	89.4	Confident	23 Å²	23	52.6 Å²	52.6	10%	0.1	25%	0.252	C	S	.	.	H	α-helix	trans	-68.4	-46	176.6	-174.8	62.1	172.5	-175.5	0	112.5	H7 D11 D110 R168 W169 L170 L174 N175	H7-K172 PolarHBondContact ND1-NZ 3.43Å; D11-K172 IonicContact OD1-NZ 2.77Å; D11-K172 PolarHBondContact OD1-NZ 3.07Å; D11-K172 IonicContact OD2-NZ 2.77Å; D11-K172 PolarHBondContact OD2-NZ 3.21Å; D110-K172 WeakPolarHBondContact OD1-CE 3.43Å; D110-K172 IonicContact OD1-NZ 3.39Å; D110-K172 PolarHBondContact OD1-NZ 3.1Å; R168-K172 PolarHBondContact O-N 2.92Å; R168-K172 VanDerWaalsContact O-N 3.09Å; W169-K172 PolarHBondContact O-N 3.38Å; L170-K172 VanDerWaalsContact C-N 3.27Å; L170-K172 PolarHBondContact O-N 3.46Å; K172-L174 PolarHBondContact O-N 3.42Å; K172-N175 PolarHBondContact O-N 2.74Å
173	L	86.9	Confident	89.1	Confident	89 Å²	89	53 Å²	53	47%	0.466	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-40.9	-179.4	-76	-179.6	0	0	0	112.8	W169 L170 N175	W169-L173 HydrophobicContact CD2-CD1 3.89Å; W169-L173 HydrophobicContact CD2-CG 4.44Å; W169-L173 VanDerWaalsContact CE2-CD1 3.43Å; W169-L173 HydrophobicContact CE3-CD1 4.33Å; W169-L173 HydrophobicContact CG-CD1 4.45Å; W169-L173 HydrophobicContact CH2-CD1 3.96Å; W169-L173 HydrophobicContact CZ2-CD1 3.49Å; W169-L173 VanDerWaalsContact CZ2-CD1 3.49Å; W169-L173 HydrophobicContact CZ2-CG 4.34Å; W169-L173 HydrophobicContact CZ3-CD1 4.36Å; W169-L173 WeakPolarHBondContact O-CG 3.45Å; W169-L173 PolarHBondContact O-N 3.46Å; L170-L173 PolarHBondContact O-N 2.98Å; L173-N175 VanDerWaalsContact C-N 3.32Å
174	L	86.4	Confident	89.1	Confident	100 Å²	100	55.9 Å²	55.9	52%	0.524	26%	0.264	S	S	.	.	H	α-helix	trans	-87.4	-6	-178.4	-60.8	175.8	0	0	0	112.5	L170 K172 I176	L170-L174 VanDerWaalsContact O-CB 3.31Å; L170-L174 WeakPolarHBondContact O-CB 3.21Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 2.88Å; K172-L174 PolarHBondContact O-N 3.42Å; L174-I176 HydrophobicContact CB-CB 4.2Å; L174-I176 HydrophobicContact CB-CD1 4.41Å; L174-I176 WeakPolarHBondContact O-CG1 3.32Å; L174-I176 PolarHBondContact O-N 2.92Å
175	N	81.2	Confident	89.1	Confident	99 Å²	99	58.9 Å²	58.9	53%	0.529	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.8	-171.5	-161.1	37.1	0	0	0	112.4	D171 K172 L173	D171-N175 WeakPolarHBondContact O-CA 3.4Å; D171-N175 PolarHBondContact O-N 3.28Å; K172-N175 PolarHBondContact O-N 2.74Å; L173-N175 VanDerWaalsContact C-N 3.32Å
176	I	82.4	Confident	89.1	Confident	65 Å²	65	58.9 Å²	58.9	33%	0.333	28%	0.278	S	S	.	.	S	Bend	trans	-139.2	132.8	-173.9	-78	166.7	0	0	0	107.7	D171 L174 L178 K181	D171-I176 CarbonylContact C-O 3.46Å; D171-I176 WeakPolarHBondContact CA-O 3.31Å; D171-I176 VanDerWaalsContact CB-O 3.26Å; D171-I176 WeakPolarHBondContact CB-O 3.31Å; D171-I176 PolarHBondContact O-N 2.85Å; L174-I176 HydrophobicContact CB-CB 4.2Å; L174-I176 HydrophobicContact CB-CD1 4.41Å; L174-I176 WeakPolarHBondContact O-CG1 3.32Å; L174-I176 PolarHBondContact O-N 2.92Å; I176-L178 PolarHBondContact O-N 3.26Å; I176-K181 HydrophobicContact CG2-CD 4.14Å; I176-K181 HydrophobicContact CG2-CG 3.81Å
177	R	82.9	Confident	89	Confident	54 Å²	54	59.5 Å²	59.5	20%	0.204	28%	0.28	C	S	.	.			trans	-83.1	109.4	164.7	-75.2	178.9	66.4	-152	10.7	110.4	Y8 E179 D180	Y8-R177 WeakPolarHBondContact OH-CD 3.47Å; Y8-R177 VanDerWaalsContact OH-CZ 3.23Å; Y8-R177 PolarHBondContact OH-NE 2.75Å; Y8-R177 PolarHBondContact OH-NH1 3.31Å; R177-E179 IonicContact CZ-OE1 2.7Å; R177-E179 IonicContact NE-OE1 2.98Å; R177-E179 PolarHBondContact NE-OE1 3.2Å; R177-E179 IonicContact NH2-OE1 3.26Å; R177-E179 PolarHBondContact NH2-OE1 2.95Å; R177-E179 PolarHBondContact O-N 3.38Å; R177-D180 HydrophobicContact CB-CB 4.04Å; R177-D180 WeakPolarHBondContact CB-OD2 3.4Å; R177-D180 VanDerWaalsContact CD-OD2 3.24Å; R177-D180 WeakPolarHBondContact CD-OD2 3.39Å; R177-D180 IonicContact CZ-OD1 3.48Å; R177-D180 IonicContact CZ-OD2 3.27Å; R177-D180 IonicContact NE-OD1 2.78Å; R177-D180 IonicContact NE-OD2 2.77Å; R177-D180 PolarHBondContact NE-OD2 3.34Å; R177-D180 IonicContact NH1-OD1 3.18Å; R177-D180 PolarHBondContact NH1-OD1 3.23Å; R177-D180 IonicContact NH1-OD2 3.59Å; R177-D180 PolarHBondContact NH1-OD2 3.31Å; R177-D180 IonicContact NH2-OD1 4Å; R177-D180 WeakPolarHBondContact O-CB 3.48Å; R177-D180 PolarHBondContact O-N 3.31Å
178	L	87.9	Confident	89.1	Confident	49 Å²	49	59 Å²	59	26%	0.257	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-58.3	-34.3	-178.4	-73.3	167.3	0	0	0	112.7	R167 L170 D171 I176 D180 K181 L185 I189	R167-L178 HydrophobicContact CG-CD1 4.12Å; L170-L178 HydrophobicContact CB-CD1 4.26Å; D171-L178 VanDerWaalsContact OD1-CB 3.28Å; D171-L178 WeakPolarHBondContact OD1-CB 3.38Å; D171-L178 WeakPolarHBondContact OD1-CD1 3.45Å; D171-L178 WeakPolarHBondContact OD1-CG 3.44Å; D171-L178 PolarHBondContact OD1-N 2.99Å; I176-L178 PolarHBondContact O-N 3.26Å; L178-D180 VanDerWaalsContact C-N 3.27Å; L178-D180 PolarHBondContact O-N 3.35Å; L178-K181 PolarHBondContact O-N 3.23Å; L178-L185 WeakPolarHBondContact O-CD1 3.27Å; L178-I189 HydrophobicContact CB-CD1 4.34Å
179	E	87.6	Confident	89.3	Confident	17 Å²	17	59.1 Å²	59.1	8%	0.079	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-66.8	-26	177.7	63.2	-169.4	-172.7	0	0	113.6	R167 R177 K181 C186 I189 Q190 C329	R167-E179 IonicContact NH1-OE2 3.26Å; R167-E179 PolarHBondContact NH1-OE2 3.42Å; R177-E179 IonicContact CZ-OE1 2.7Å; R177-E179 IonicContact NE-OE1 2.98Å; R177-E179 PolarHBondContact NE-OE1 3.2Å; R177-E179 IonicContact NH2-OE1 3.26Å; R177-E179 PolarHBondContact NH2-OE1 2.95Å; R177-E179 PolarHBondContact O-N 3.38Å; E179-K181 VanDerWaalsContact C-N 3.33Å; E179-C186 WeakPolarHBondContact O-CB 3.43Å; E179-C186 PolarHBondContact O-N 3.43Å; E179-I189 HydrophobicContact CB-CD1 4.11Å; E179-Q190 PolarHBondContact OE2-NE2 3.29Å; E179-Q190 VanDerWaalsContact OE2-NE2 3.15Å; E179-C329 HydrophobicContact CB-CB 4.05Å; E179-C329 HydrophobicContact CG-CB 3.98Å
180	D	87.3	Confident	89.2	Confident	15 Å²	15	57.4 Å²	57.4	8%	0.08	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-83	-10.7	-178.6	-63.8	-15.8	0	0	0	112.3	R177 L178 L254 C329	R177-D180 HydrophobicContact CB-CB 4.04Å; R177-D180 WeakPolarHBondContact CB-OD2 3.4Å; R177-D180 VanDerWaalsContact CD-OD2 3.24Å; R177-D180 WeakPolarHBondContact CD-OD2 3.39Å; R177-D180 IonicContact CZ-OD1 3.48Å; R177-D180 IonicContact CZ-OD2 3.27Å; R177-D180 IonicContact NE-OD1 2.78Å; R177-D180 IonicContact NE-OD2 2.77Å; R177-D180 PolarHBondContact NE-OD2 3.34Å; R177-D180 IonicContact NH1-OD1 3.18Å; R177-D180 PolarHBondContact NH1-OD1 3.23Å; R177-D180 IonicContact NH1-OD2 3.59Å; R177-D180 PolarHBondContact NH1-OD2 3.31Å; R177-D180 IonicContact NH2-OD1 4Å; R177-D180 WeakPolarHBondContact O-CB 3.48Å; R177-D180 PolarHBondContact O-N 3.31Å; L178-D180 VanDerWaalsContact C-N 3.27Å; L178-D180 PolarHBondContact O-N 3.35Å; D180-L254 WeakPolarHBondContact O-CD2 3.25Å; D180-C329 WeakPolarHBondContact OD1-CB 3.3Å; D180-C329 PolarHBondContact OD1-N 2.93Å
181	K	88.8	Confident	89.5	Confident	127 Å²	127	56.2 Å²	56.2	55%	0.552	27%	0.272	S	S	*	.	S	Bend	trans	-84.6	-27	-173.1	-65.4	-59.9	178.6	-175.9	0	114.8	I176 L178 E179	I176-K181 HydrophobicContact CG2-CD 4.14Å; I176-K181 HydrophobicContact CG2-CG 3.81Å; L178-K181 PolarHBondContact O-N 3.23Å; E179-K181 VanDerWaalsContact C-N 3.33Å
182	H	91.9	Very high	89.9	Confident	87 Å²	87	58.8 Å²	58.8	40%	0.403	29%	0.285	S	S	.	.			trans	-152.2	138	-177.1	-165.6	-87.2	0	0	0	111.2	L184 L185 C186	H182-L184 VanDerWaalsContact ND1-CB 3.3Å; H182-L184 WeakPolarHBondContact ND1-CB 3.2Å; H182-L184 PolarHBondContact ND1-N 2.98Å; H182-L184 VanDerWaalsContact ND1-N 3.13Å; H182-L184 PolarHBondContact O-N 3.43Å; H182-L185 HydrophobicContact CB-CB 4.24Å; H182-L185 HydrophobicContact CB-CD1 3.93Å; H182-L185 HydrophobicContact CB-CG 4.01Å; H182-L185 WeakPolarHBondContact O-CA 3.43Å; H182-L185 WeakPolarHBondContact O-CB 3.48Å; H182-L185 PolarHBondContact O-N 3.27Å; H182-C186 PolarHBondContact O-N 2.98Å
183	W	91.3	Very high	90.4	Very high	131 Å²	131	58.2 Å²	58.2	50%	0.496	29%	0.286	S	S	.	.	H	α-helix	trans	-57.5	-35.9	-177.5	69	-89.5	0	0	0	112.6	C186 K187 L254	W183-C186 WeakPolarHBondContact O-CB 3.34Å; W183-K187 HydrophobicContact CE3-CD 4.1Å; W183-K187 HydrophobicContact CZ3-CD 4.27Å; W183-K187 WeakPolarHBondContact O-CG 3.19Å; W183-K187 PolarHBondContact O-N 3.06Å; W183-L254 HydrophobicContact CB-CD1 4.14Å; W183-L254 HydrophobicContact CB-CG 4.33Å
184	L	94.2	Very high	90.7	Very high	88 Å²	88	54.1 Å²	54.1	46%	0.461	26%	0.264	S	S	.	.	H	α-helix	trans	-67.2	-39	174.3	-173.6	63.3	0	0	0	112.3	H182 K187 A188	H182-L184 VanDerWaalsContact ND1-CB 3.3Å; H182-L184 WeakPolarHBondContact ND1-CB 3.2Å; H182-L184 PolarHBondContact ND1-N 2.98Å; H182-L184 VanDerWaalsContact ND1-N 3.13Å; H182-L184 PolarHBondContact O-N 3.43Å; L184-K187 PolarHBondContact O-N 2.85Å; L184-A188 WeakPolarHBondContact O-CB 3.38Å; L184-A188 PolarHBondContact O-N 2.94Å
185	L	92.8	Very high	91.2	Very high	70 Å²	70	49.8 Å²	49.8	37%	0.366	24%	0.242	S	C	.	.	H	α-helix	trans	-66.2	-43.1	176.9	-70.2	174.9	0	0	0	110.3	L178 H182 K187 A188 I189	L178-L185 WeakPolarHBondContact O-CD1 3.27Å; H182-L185 HydrophobicContact CB-CB 4.24Å; H182-L185 HydrophobicContact CB-CD1 3.93Å; H182-L185 HydrophobicContact CB-CG 4.01Å; H182-L185 WeakPolarHBondContact O-CA 3.43Å; H182-L185 WeakPolarHBondContact O-CB 3.48Å; H182-L185 PolarHBondContact O-N 3.27Å; L185-K187 VanDerWaalsContact C-N 3.31Å; L185-K187 PolarHBondContact O-N 3.41Å; L185-A188 PolarHBondContact O-N 3.15Å; L185-I189 HydrophobicContact CB-CD1 4.04Å; L185-I189 HydrophobicContact CD2-CD1 4.36Å; L185-I189 WeakPolarHBondContact O-CB 3.13Å; L185-I189 VanDerWaalsContact O-CG1 3.23Å; L185-I189 WeakPolarHBondContact O-CG1 3.45Å; L185-I189 PolarHBondContact O-N 2.87Å
186	C	93.3	Very high	92	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-51.7	-49.8	173.3	177.1	0	0	0	0	111.7	E179 H182 W183 Q190 L254 C329	E179-C186 WeakPolarHBondContact O-CB 3.43Å; E179-C186 PolarHBondContact O-N 3.43Å; H182-C186 PolarHBondContact O-N 2.98Å; W183-C186 WeakPolarHBondContact O-CB 3.34Å; C186-Q190 WeakPolarHBondContact O-CG 3.27Å; C186-L254 HydrophobicContact CB-CD2 4.38Å; C186-C329 WeakPolarHBondContact CA-SG 3.37Å; C186-C329 HydrophobicContact CB-CB 3.6Å; C186-C329 WeakPolarHBondContact CB-SG 3.26Å; C186-C329 WeakPolarHBondContact SG-CA 3.33Å; C186-C329 WeakPolarHBondContact SG-CB 3.25Å; C186-C329 CovalentContact SG-SG 2.03Å; C186-C329 PolarHBondContact SG-SG 3.04Å
187	K	95.2	Very high	92.6	Very high	38 Å²	38	42.7 Å²	42.7	17%	0.165	21%	0.206	C	C	.	.	H	α-helix	trans	-70.7	-48.6	179.5	-65.6	179.8	-180	-158.5	0	112.8	W183 L184 L185 F191 F249 V252	W183-K187 HydrophobicContact CE3-CD 4.1Å; W183-K187 HydrophobicContact CZ3-CD 4.27Å; W183-K187 WeakPolarHBondContact O-CG 3.19Å; W183-K187 PolarHBondContact O-N 3.06Å; L184-K187 PolarHBondContact O-N 2.85Å; L185-K187 VanDerWaalsContact C-N 3.31Å; L185-K187 PolarHBondContact O-N 3.41Å; K187-F191 WeakPolarHBondContact O-CB 3.49Å; K187-F191 PolarHBondContact O-N 2.56Å; K187-F249 HydrophobicContact CB-CD1 4.04Å; K187-F249 HydrophobicContact CB-CE1 4.27Å; K187-F249 HydrophobicContact CD-CD1 4.3Å; K187-F249 WeakPolarHBondContact CE-O 3.44Å; K187-F249 PolarHBondContact NZ-O 3.14Å; K187-V252 WeakPolarHBondContact CE-O 3.09Å; K187-V252 HydrophobicContact CG-CG2 4.27Å
188	A	95	Very high	93.2	Very high	24 Å²	24	40.3 Å²	40.3	20%	0.198	20%	0.197	C	C	.	.	H	α-helix	trans	-68.4	-40.8	-172.9	0	0	0	0	0	112.5	L184 L185 F191 I192	L184-A188 WeakPolarHBondContact O-CB 3.38Å; L184-A188 PolarHBondContact O-N 2.94Å; L185-A188 PolarHBondContact O-N 3.15Å; A188-F191 PolarHBondContact O-N 3.46Å; A188-I192 HydrophobicContact CB-CD1 4.5Å; A188-I192 VanDerWaalsContact O-CB 3.32Å; A188-I192 WeakPolarHBondContact O-CB 3.22Å; A188-I192 WeakPolarHBondContact O-CG1 3.28Å; A188-I192 PolarHBondContact O-N 3.34Å
189	I	93.7	Very high	93.7	Very high	30 Å²	30	38.5 Å²	38.5	15%	0.154	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-43.6	-179.1	-69.8	171.3	0	0	0	110.7	R167 L178 E179 L185 G193	R167-I189 VanDerWaalsContact CD-CG2 3.44Å; L178-I189 HydrophobicContact CB-CD1 4.34Å; E179-I189 HydrophobicContact CB-CD1 4.11Å; L185-I189 HydrophobicContact CB-CD1 4.04Å; L185-I189 HydrophobicContact CD2-CD1 4.36Å; L185-I189 WeakPolarHBondContact O-CB 3.13Å; L185-I189 VanDerWaalsContact O-CG1 3.23Å; L185-I189 WeakPolarHBondContact O-CG1 3.45Å; L185-I189 PolarHBondContact O-N 2.87Å; I189-G193 PolarHBondContact O-N 3.31Å
190	Q	92.2	Very high	94.1	Very high	19 Å²	19	37.7 Å²	37.7	9%	0.089	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-47.5	176.3	-60.9	-64.6	-10.1	0	0	110.9	E179 C186 V194 F248 V252	E179-Q190 PolarHBondContact OE2-NE2 3.29Å; E179-Q190 VanDerWaalsContact OE2-NE2 3.15Å; C186-Q190 WeakPolarHBondContact O-CG 3.27Å; Q190-V194 WeakPolarHBondContact O-CB 3.36Å; Q190-V194 VanDerWaalsContact O-CG2 3.31Å; Q190-V194 WeakPolarHBondContact O-CG2 3.37Å; Q190-V194 PolarHBondContact O-N 3.18Å; Q190-V194 VanDerWaalsContact O-N 3.15Å; Q190-F248 HydrophobicContact CB-CB 4.26Å; Q190-F248 HydrophobicContact CB-CD1 3.69Å; Q190-F248 HydrophobicContact CB-CD2 4.33Å; Q190-F248 HydrophobicContact CB-CE1 4.08Å; Q190-F248 HydrophobicContact CB-CG 3.84Å; Q190-F248 HydrophobicContact CG-CD1 4.49Å; Q190-V252 HydrophobicContact CB-CG2 4.44Å; Q190-V252 HydrophobicContact CG-CG2 4.28Å
191	F	96.7	Very high	94.5	Very high	36 Å²	36	37 Å²	37	16%	0.158	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-53.9	178.2	173.7	-104.6	0	0	0	112.8	K187 A188 T195 T242 S245 L246 F248 F249	K187-F191 WeakPolarHBondContact O-CB 3.49Å; K187-F191 PolarHBondContact O-N 2.56Å; A188-F191 PolarHBondContact O-N 3.46Å; F191-T195 VanDerWaalsContact O-CB 3.22Å; F191-T195 WeakPolarHBondContact O-CB 3.35Å; F191-T195 PolarHBondContact O-N 3.02Å; F191-T195 VanDerWaalsContact O-N 3.07Å; F191-T195 PolarHBondContact O-OG1 3.45Å; F191-T242 HydrophobicContact CZ-CG2 4.29Å; F191-S245 WeakPolarHBondContact CD2-O 3.29Å; F191-L246 HydrophobicContact CE2-CD2 4.04Å; F191-L246 HydrophobicContact CE2-CG 4.47Å; F191-F248 HydrophobicContact CB-CB 4.44Å; F191-F249 HydrophobicContact CB-CE2 3.95Å; F191-F249 HydrophobicContact CB-CZ 4.15Å; F191-F249 AromaticContact CD1-CE2 3.86Å; F191-F249 HydrophobicContact CD1-CE2 3.86Å; F191-F249 AromaticContact CD1-CZ 3.98Å; F191-F249 HydrophobicContact CD1-CZ 3.98Å; F191-F249 HydrophobicContact CD2-CD2 4.23Å; F191-F249 AromaticContact CD2-CE2 3.57Å; F191-F249 HydrophobicContact CD2-CE2 3.57Å; F191-F249 HydrophobicContact CD2-CZ 4.43Å; F191-F249 HydrophobicContact CE1-CE2 4.27Å; F191-F249 HydrophobicContact CE2-CE2 4Å; F191-F249 HydrophobicContact CG-CD2 4.44Å; F191-F249 AromaticContact CG-CE2 3.5Å; F191-F249 HydrophobicContact CG-CE2 3.5Å; F191-F249 VanDerWaalsContact CG-CE2 3.5Å; F191-F249 AromaticContact CG-CZ 3.92Å; F191-F249 HydrophobicContact CG-CZ 3.92Å; F191-F249 HydrophobicContact CZ-CE2 4.33Å
192	I	96.3	Very high	95	Very high	74 Å²	74	33.4 Å²	33.4	38%	0.379	16%	0.162	S	C	.	.	H	α-helix	trans	-68.4	-47.5	-174.6	-63.1	170.4	0	0	0	109.9	T163 A188 V194 T195 T196	T163-I192 HydrophobicContact CG2-CG2 3.46Å; T163-I192 VanDerWaalsContact CG2-CG2 3.46Å; A188-I192 HydrophobicContact CB-CD1 4.5Å; A188-I192 VanDerWaalsContact O-CB 3.32Å; A188-I192 WeakPolarHBondContact O-CB 3.22Å; A188-I192 WeakPolarHBondContact O-CG1 3.28Å; A188-I192 PolarHBondContact O-N 3.34Å; I192-V194 PolarHBondContact O-N 3.1Å; I192-T195 PolarHBondContact O-N 3.35Å; I192-T196 HydrophobicContact CG2-CG2 3.99Å; I192-T196 VanDerWaalsContact O-CG2 3.31Å; I192-T196 WeakPolarHBondContact O-CG2 3.25Å; I192-T196 PolarHBondContact O-N 2.97Å; I192-T196 PolarHBondContact O-OG1 3.48Å
193	G	94.3	Very high	95.2	Very high	11 Å²	11	29.3 Å²	29.3	11%	0.113	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-43.7	-177	0	0	0	0	0	112.6	I189 T196 S197	I189-G193 PolarHBondContact O-N 3.31Å; G193-T196 PolarHBondContact O-OG1 2.91Å; G193-S197 WeakPolarHBondContact O-CB 3.32Å; G193-S197 PolarHBondContact O-N 2.92Å; G193-S197 PolarHBondContact O-OG 3.17Å
194	V	93.7	Very high	95.4	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-70.2	-42.1	177.6	175.1	0	0	0	0	111.5	T2 Q190 I192 S197 Y198 F248 W344	T2-V194 HydrophobicContact CG2-CG2 3.61Å; Q190-V194 WeakPolarHBondContact O-CB 3.36Å; Q190-V194 VanDerWaalsContact O-CG2 3.31Å; Q190-V194 WeakPolarHBondContact O-CG2 3.37Å; Q190-V194 PolarHBondContact O-N 3.18Å; Q190-V194 VanDerWaalsContact O-N 3.15Å; I192-V194 PolarHBondContact O-N 3.1Å; V194-S197 PolarHBondContact O-N 2.84Å; V194-Y198 HydrophobicContact CG1-CD1 4.49Å; V194-Y198 HydrophobicContact CG1-CD2 3.89Å; V194-Y198 HydrophobicContact CG1-CE1 3.96Å; V194-Y198 HydrophobicContact CG1-CE2 3.31Å; V194-Y198 HydrophobicContact CG1-CG 4.44Å; V194-Y198 WeakPolarHBondContact CG1-OH 3.31Å; V194-Y198 PolarHBondContact O-N 3.35Å; V194-F248 HydrophobicContact CB-CE2 3.81Å; V194-F248 HydrophobicContact CB-CZ 4.39Å; V194-F248 HydrophobicContact CG1-CE2 4.03Å; V194-F248 HydrophobicContact CG2-CE2 3.72Å; V194-F248 HydrophobicContact CG2-CZ 3.81Å; V194-W344 HydrophobicContact CG1-CZ2 4.44Å
195	T	97.2	Very high	95.5	Very high	9 Å²	9	19 Å²	19	6%	0.055	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-49.4	-179.1	-59.7	0	0	0	0	112.2	F191 I192 S197 Y198 I199 A241 T242 S245	F191-T195 VanDerWaalsContact O-CB 3.22Å; F191-T195 WeakPolarHBondContact O-CB 3.35Å; F191-T195 PolarHBondContact O-N 3.02Å; F191-T195 VanDerWaalsContact O-N 3.07Å; F191-T195 PolarHBondContact O-OG1 3.45Å; I192-T195 PolarHBondContact O-N 3.35Å; T195-S197 VanDerWaalsContact C-N 3.28Å; T195-S197 PolarHBondContact O-N 3.28Å; T195-Y198 PolarHBondContact O-N 3.5Å; T195-I199 HydrophobicContact CG2-CD1 3.82Å; T195-I199 VanDerWaalsContact O-CG1 3.28Å; T195-I199 WeakPolarHBondContact O-CG1 3.35Å; T195-I199 PolarHBondContact O-N 3.39Å; T195-A241 HydrophobicContact CG2-CB 4.26Å; T195-T242 HydrophobicContact CG2-CG2 3.78Å; T195-S245 WeakPolarHBondContact OG1-CB 3.28Å; T195-S245 PolarHBondContact OG1-OG 3.38Å
196	T	97.2	Very high	95.7	Very high	14 Å²	14	17.3 Å²	17.3	9%	0.086	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-39.5	-178.8	53.6	0	0	0	0	110.9	I156 C159 V160 T163 I192 G193 I199 S200	I156-T196 WeakPolarHBondContact CG2-O 3.25Å; C159-T196 HydrophobicContact CB-CG2 3.63Å; V160-T196 VanDerWaalsContact CG2-C 3.47Å; T163-T196 PolarHBondContact OG1-OG1 2.92Å; I192-T196 HydrophobicContact CG2-CG2 3.99Å; I192-T196 VanDerWaalsContact O-CG2 3.31Å; I192-T196 WeakPolarHBondContact O-CG2 3.25Å; I192-T196 PolarHBondContact O-N 2.97Å; I192-T196 PolarHBondContact O-OG1 3.48Å; G193-T196 PolarHBondContact O-OG1 2.91Å; T196-I199 PolarHBondContact O-N 3.06Å; T196-S200 PolarHBondContact O-N 3.45Å
197	S	95	Very high	95.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.007	9%	0.091	C	C	.	.	H	α-helix	trans	-68.1	-40.3	177.9	-67.5	0	0	0	0	113.6	M1 G193 V194 T195 S200 V201	M1-S197 WeakPolarHBondContact CE-OG 3.46Å; M1-S197 WeakPolarHBondContact SD-CB 3.37Å; M1-S197 PolarHBondContact SD-OG 2.99Å; G193-S197 WeakPolarHBondContact O-CB 3.32Å; G193-S197 PolarHBondContact O-N 2.92Å; G193-S197 PolarHBondContact O-OG 3.17Å; V194-S197 PolarHBondContact O-N 2.84Å; T195-S197 VanDerWaalsContact C-N 3.28Å; T195-S197 PolarHBondContact O-N 3.28Å; S197-S200 PolarHBondContact O-N 3.48Å; S197-V201 WeakPolarHBondContact O-CG2 3.45Å; S197-V201 PolarHBondContact O-N 3.47Å
198	Y	96.6	Very high	95.6	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.016	8%	0.083	C	C	.	.	H	α-helix	trans	-61.8	-46.2	170.6	-68.6	-14.6	0	0	0	111.7	V194 T195 S200 V201 W202 I244 D348 L351 Y352	V194-Y198 HydrophobicContact CG1-CD1 4.49Å; V194-Y198 HydrophobicContact CG1-CD2 3.89Å; V194-Y198 HydrophobicContact CG1-CE1 3.96Å; V194-Y198 HydrophobicContact CG1-CE2 3.31Å; V194-Y198 HydrophobicContact CG1-CG 4.44Å; V194-Y198 WeakPolarHBondContact CG1-OH 3.31Å; V194-Y198 PolarHBondContact O-N 3.35Å; T195-Y198 PolarHBondContact O-N 3.5Å; Y198-S200 VanDerWaalsContact C-N 3.32Å; Y198-S200 PolarHBondContact O-N 3.04Å; Y198-V201 PolarHBondContact O-N 2.81Å; Y198-W202 WeakPolarHBondContact O-CB 3.28Å; Y198-W202 PolarHBondContact O-N 2.94Å; Y198-I244 HydrophobicContact CD2-CG2 4.4Å; Y198-I244 HydrophobicContact CE2-CG2 3.83Å; Y198-D348 WeakPolarHBondContact CE1-OD1 3.35Å; Y198-D348 WeakPolarHBondContact OH-CA 3.47Å; Y198-D348 PolarHBondContact OH-OD1 2.79Å; Y198-L351 HydrophobicContact CE1-CB 4.14Å; Y198-L351 HydrophobicContact CE2-CD1 4.28Å; Y198-Y352 HydrophobicContact CD1-CD2 4.25Å; Y198-Y352 HydrophobicContact CE1-CD2 4.45Å
199	I	97.9	Very high	95.5	Very high	11 Å²	11	17.7 Å²	17.7	6%	0.056	9%	0.09	C	C	.	.	H	α-helix	trans	-60.4	-43.4	-179.8	-63.6	166.4	0	0	0	110.8	I156 T195 T196 W202 I203 L237 C238 A241	I156-I199 HydrophobicContact CB-CG2 4.39Å; I156-I199 HydrophobicContact CD1-CB 4.48Å; I156-I199 HydrophobicContact CD1-CG2 3.85Å; I156-I199 HydrophobicContact CG1-CG2 3.73Å; I156-I199 HydrophobicContact CG2-CB 3.96Å; I156-I199 HydrophobicContact CG2-CG2 3.93Å; T195-I199 HydrophobicContact CG2-CD1 3.82Å; T195-I199 VanDerWaalsContact O-CG1 3.28Å; T195-I199 WeakPolarHBondContact O-CG1 3.35Å; T195-I199 PolarHBondContact O-N 3.39Å; T196-I199 PolarHBondContact O-N 3.06Å; I199-W202 PolarHBondContact O-N 2.74Å; I199-I203 HydrophobicContact CG2-CD1 3.72Å; I199-I203 HydrophobicContact CG2-CG1 4.26Å; I199-I203 VanDerWaalsContact O-CG1 3.25Å; I199-I203 WeakPolarHBondContact O-CG1 3.22Å; I199-I203 PolarHBondContact O-N 2.92Å; I199-L237 HydrophobicContact CG2-CD2 4.36Å; I199-C238 HydrophobicContact CD1-CB 4.39Å; I199-A241 HydrophobicContact CD1-CB 4.27Å; I199-A241 HydrophobicContact CG1-CB 3.63Å
200	S	96.4	Very high	95.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.6	-53.2	179.2	176.9	0	0	0	0	111.6	D157 T196 S197 Y198 W202 I203 I204 H586	D157-S200 PolarHBondContact OD1-OG 2.98Å; T196-S200 PolarHBondContact O-N 3.45Å; S197-S200 PolarHBondContact O-N 3.48Å; Y198-S200 VanDerWaalsContact C-N 3.32Å; Y198-S200 PolarHBondContact O-N 3.04Å; S200-W202 PolarHBondContact O-N 3.1Å; S200-I203 PolarHBondContact O-N 2.86Å; S200-I204 PolarHBondContact O-N 3.26Å; S200-H586 PolarHBondContact OG-CE1 3Å; S200-H586 PolarHBondContact OG-ND1 3.38Å
201	V	95.5	Very high	95.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.1	-46.4	-178.5	174.8	0	0	0	0	111.5	S197 Y198 I203 I204 V205 Y352 P356 F540	S197-V201 WeakPolarHBondContact O-CG2 3.45Å; S197-V201 PolarHBondContact O-N 3.47Å; Y198-V201 PolarHBondContact O-N 2.81Å; V201-I203 PolarHBondContact O-N 2.97Å; V201-I204 WeakPolarHBondContact O-CB 3.19Å; V201-I204 PolarHBondContact O-N 3.25Å; V201-I204 VanDerWaalsContact O-N 3.13Å; V201-V205 PolarHBondContact O-N 3.4Å; V201-Y352 HydrophobicContact CG2-CD2 3.89Å; V201-Y352 HydrophobicContact CG2-CE2 3.6Å; V201-P356 HydrophobicContact CG1-CB 3.38Å; V201-P356 HydrophobicContact CG1-CG 3.42Å; V201-P356 VanDerWaalsContact CG1-CG 3.42Å; V201-F540 HydrophobicContact CB-CE2 4.41Å; V201-F540 HydrophobicContact CB-CZ 4.18Å; V201-F540 HydrophobicContact CG1-CE1 4.2Å; V201-F540 HydrophobicContact CG1-CE2 4.24Å; V201-F540 HydrophobicContact CG1-CZ 3.55Å; V201-F540 HydrophobicContact CG2-CE2 3.72Å; V201-F540 HydrophobicContact CG2-CZ 3.75Å
202	W	97.7	Very high	94.9	Very high	52 Å²	52	15 Å²	15	20%	0.197	8%	0.078	C	C	.	.	H	α-helix	trans	-75.8	-22.1	-174.9	-77.2	92.9	0	0	0	113.2	Y198 I199 S200 I204 V205 L206 L237 L351 L355 P356 I359	Y198-W202 WeakPolarHBondContact O-CB 3.28Å; Y198-W202 PolarHBondContact O-N 2.94Å; I199-W202 PolarHBondContact O-N 2.74Å; S200-W202 PolarHBondContact O-N 3.1Å; W202-I204 VanDerWaalsContact C-N 3.31Å; W202-V205 HydrophobicContact CE3-CB 4.04Å; W202-V205 HydrophobicContact CE3-CG1 3.99Å; W202-V205 HydrophobicContact CE3-CG2 4.22Å; W202-V205 HydrophobicContact CZ3-CG1 4.05Å; W202-V205 PolarHBondContact O-N 3.44Å; W202-L206 VanDerWaalsContact O-CG 3.3Å; W202-L206 WeakPolarHBondContact O-CG 3.47Å; W202-L206 PolarHBondContact O-N 3.39Å; W202-L237 HydrophobicContact CB-CD1 3.4Å; W202-L237 HydrophobicContact CB-CD2 3.56Å; W202-L237 HydrophobicContact CB-CG 4.11Å; W202-L237 HydrophobicContact CG-CD1 3.97Å; W202-L351 HydrophobicContact CZ2-CD2 4.49Å; W202-L351 PolarHBondContact NE1-O 2.91Å; W202-L355 HydrophobicContact CH2-CD2 3.57Å; W202-L355 HydrophobicContact CH2-CG 3.97Å; W202-L355 HydrophobicContact CZ2-CD2 3.9Å; W202-L355 HydrophobicContact CZ2-CG 4.33Å; W202-P356 HydrophobicContact CZ2-CG 4.2Å; W202-I359 HydrophobicContact CH2-CD1 4.33Å; W202-I359 HydrophobicContact CZ3-CD1 4.31Å
203	I	97.1	Very high	94.5	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-62.5	-39.9	166.6	-73.9	168.5	0	0	0	110.7	Y149 F152 L153 I156 I199 S200 V201 V205 L206 I207 L237	Y149-I203 HydrophobicContact CD1-CG2 4.35Å; F152-I203 HydrophobicContact CB-CD1 4.21Å; L153-I203 HydrophobicContact CB-CG2 3.92Å; L153-I203 HydrophobicContact CD1-CB 4.26Å; L153-I203 HydrophobicContact CD1-CG2 4.09Å; L153-I203 HydrophobicContact CG-CG2 4.43Å; I156-I203 HydrophobicContact CG1-CD1 4.13Å; I199-I203 HydrophobicContact CG2-CD1 3.72Å; I199-I203 HydrophobicContact CG2-CG1 4.26Å; I199-I203 VanDerWaalsContact O-CG1 3.25Å; I199-I203 WeakPolarHBondContact O-CG1 3.22Å; I199-I203 PolarHBondContact O-N 2.92Å; S200-I203 PolarHBondContact O-N 2.86Å; V201-I203 PolarHBondContact O-N 2.97Å; I203-V205 VanDerWaalsContact C-N 3.33Å; I203-L206 PolarHBondContact O-N 3.48Å; I203-I207 WeakPolarHBondContact O-CG2 3.3Å; I203-I207 PolarHBondContact O-N 3.18Å; I203-L237 HydrophobicContact CG1-CD2 3.9Å
204	I	95.7	Very high	94.1	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-63.9	-40.4	175.5	-58.3	173	0	0	0	110.4	L153 S200 V201 W202 I207 T208 I360 I536 F540	L153-I204 HydrophobicContact CD1-CG1 4.21Å; L153-I204 HydrophobicContact CD2-CG1 4.18Å; S200-I204 PolarHBondContact O-N 3.26Å; V201-I204 WeakPolarHBondContact O-CB 3.19Å; V201-I204 PolarHBondContact O-N 3.25Å; V201-I204 VanDerWaalsContact O-N 3.13Å; W202-I204 VanDerWaalsContact C-N 3.31Å; I204-I207 VanDerWaalsContact O-CG2 3.29Å; I204-I207 WeakPolarHBondContact O-CG2 3.25Å; I204-T208 WeakPolarHBondContact O-CB 3.44Å; I204-T208 VanDerWaalsContact O-CG2 3.26Å; I204-T208 WeakPolarHBondContact O-CG2 3.34Å; I204-T208 PolarHBondContact O-N 3.31Å; I204-T208 VanDerWaalsContact O-N 3.1Å; I204-T208 PolarHBondContact O-OG1 3.3Å; I204-I360 HydrophobicContact CB-CD1 4.42Å; I204-I360 HydrophobicContact CG2-CD1 3.8Å; I204-I536 HydrophobicContact CD1-CG2 4.46Å; I204-F540 HydrophobicContact CD1-CB 4.18Å; I204-F540 HydrophobicContact CD1-CD2 3.78Å; I204-F540 HydrophobicContact CD1-CE2 4.43Å; I204-F540 HydrophobicContact CD1-CG 4.01Å
205	V	96.4	Very high	93.6	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-62.1	-47.1	173.7	178.3	0	0	0	0	111.4	V201 W202 I203 I207 T208 I209 P356 I359 I360	V201-V205 PolarHBondContact O-N 3.4Å; W202-V205 HydrophobicContact CE3-CB 4.04Å; W202-V205 HydrophobicContact CE3-CG1 3.99Å; W202-V205 HydrophobicContact CE3-CG2 4.22Å; W202-V205 HydrophobicContact CZ3-CG1 4.05Å; W202-V205 PolarHBondContact O-N 3.44Å; I203-V205 VanDerWaalsContact C-N 3.33Å; V205-I207 PolarHBondContact O-N 2.92Å; V205-T208 WeakPolarHBondContact CA-OG1 3.33Å; V205-T208 PolarHBondContact O-N 3.18Å; V205-T208 PolarHBondContact O-OG1 2.83Å; V205-I209 HydrophobicContact CG1-CD1 3.76Å; V205-I209 HydrophobicContact CG1-CG1 4.41Å; V205-I209 WeakPolarHBondContact O-CG1 3.41Å; V205-I209 PolarHBondContact O-N 3.31Å; V205-P356 HydrophobicContact CG2-CB 3.79Å; V205-P356 HydrophobicContact CG2-CG 4.42Å; V205-I359 HydrophobicContact CG1-CB 4.34Å; V205-I359 HydrophobicContact CG1-CD1 4.24Å; V205-I359 HydrophobicContact CG1-CG2 3.71Å; V205-I360 HydrophobicContact CG2-CD1 3.97Å; V205-I360 HydrophobicContact CG2-CG1 4.04Å
206	L	95.9	Very high	93.1	Very high	35 Å²	35	20 Å²	20	18%	0.183	10%	0.1	C	C	.	.	H	α-helix	trans	-63.2	-44.8	-179	-72.4	173.7	0	0	0	112.4	Y149 W202 I203 T208 I209 E210 F233 L237	Y149-L206 HydrophobicContact CD1-CB 4.35Å; Y149-L206 HydrophobicContact CE1-CB 3.82Å; Y149-L206 HydrophobicContact CE1-CD1 4.23Å; W202-L206 VanDerWaalsContact O-CG 3.3Å; W202-L206 WeakPolarHBondContact O-CG 3.47Å; W202-L206 PolarHBondContact O-N 3.39Å; I203-L206 PolarHBondContact O-N 3.48Å; L206-T208 VanDerWaalsContact C-N 3.34Å; L206-T208 PolarHBondContact O-N 2.98Å; L206-I209 PolarHBondContact O-N 3.15Å; L206-E210 WeakPolarHBondContact O-CB 3.35Å; L206-E210 PolarHBondContact O-N 3.37Å; L206-F233 HydrophobicContact CD1-CB 4.05Å; L206-F233 HydrophobicContact CD2-CB 4.27Å; L206-L237 HydrophobicContact CD1-CB 4.3Å; L206-L237 HydrophobicContact CD1-CD2 3.88Å
207	I	93.4	Very high	92.4	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-67.7	-35.1	179.6	-166.5	169.7	0	0	0	111.8	Y149 L150 I203 I204 V205 R211 L533	Y149-I207 HydrophobicContact CD2-CB 4.31Å; Y149-I207 HydrophobicContact CD2-CD1 4.5Å; Y149-I207 HydrophobicContact CD2-CG1 4.25Å; Y149-I207 HydrophobicContact CG-CB 4.21Å; L150-I207 HydrophobicContact CD1-CD1 4.48Å; L150-I207 HydrophobicContact CD2-CD1 3.94Å; L150-I207 HydrophobicContact CG-CD1 3.85Å; I203-I207 WeakPolarHBondContact O-CG2 3.3Å; I203-I207 PolarHBondContact O-N 3.18Å; I204-I207 VanDerWaalsContact O-CG2 3.29Å; I204-I207 WeakPolarHBondContact O-CG2 3.25Å; V205-I207 PolarHBondContact O-N 2.92Å; I207-R211 WeakPolarHBondContact O-CB 3.45Å; I207-R211 VanDerWaalsContact O-CG 3.28Å; I207-R211 WeakPolarHBondContact O-CG 3.22Å; I207-R211 PolarHBondContact O-N 3.35Å; I207-L533 HydrophobicContact CD1-CD1 4.02Å; I207-L533 HydrophobicContact CD1-CD2 3.27Å; I207-L533 HydrophobicContact CD1-CG 4.28Å; I207-L533 HydrophobicContact CG1-CD1 4.06Å; I207-L533 HydrophobicContact CG1-CD2 3.96Å
208	T	93.8	Very high	91.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-69.3	-42.2	176.3	48.8	0	0	0	0	112.3	I204 V205 L206 R211 T212 S537	I204-T208 WeakPolarHBondContact O-CB 3.44Å; I204-T208 VanDerWaalsContact O-CG2 3.26Å; I204-T208 WeakPolarHBondContact O-CG2 3.34Å; I204-T208 PolarHBondContact O-N 3.31Å; I204-T208 VanDerWaalsContact O-N 3.1Å; I204-T208 PolarHBondContact O-OG1 3.3Å; V205-T208 WeakPolarHBondContact CA-OG1 3.33Å; V205-T208 PolarHBondContact O-N 3.18Å; V205-T208 PolarHBondContact O-OG1 2.83Å; L206-T208 VanDerWaalsContact C-N 3.34Å; L206-T208 PolarHBondContact O-N 2.98Å; T208-R211 PolarHBondContact O-N 3.36Å; T208-T212 WeakPolarHBondContact O-CB 3.47Å; T208-T212 PolarHBondContact O-N 3.47Å; T208-T212 PolarHBondContact O-OG1 2.96Å; T208-S537 WeakPolarHBondContact CG2-OG 3.37Å
209	I	92.8	Very high	90.3	Very high	65 Å²	65	28 Å²	28	33%	0.333	15%	0.148	S	C	.	.	H	α-helix	trans	-61.4	-48.7	173.1	-69.4	171.7	0	0	0	110.3	V205 L206 R211 T212 I213 I359	V205-I209 HydrophobicContact CG1-CD1 3.76Å; V205-I209 HydrophobicContact CG1-CG1 4.41Å; V205-I209 WeakPolarHBondContact O-CG1 3.41Å; V205-I209 PolarHBondContact O-N 3.31Å; L206-I209 PolarHBondContact O-N 3.15Å; I209-R211 VanDerWaalsContact C-N 3.28Å; I209-R211 PolarHBondContact O-N 2.88Å; I209-T212 WeakPolarHBondContact O-CB 3.31Å; I209-T212 PolarHBondContact O-N 3.07Å; I209-T212 VanDerWaalsContact O-N 3.07Å; I209-I213 HydrophobicContact CG2-CD1 3.83Å; I209-I213 HydrophobicContact CG2-CG1 4.42Å; I209-I213 WeakPolarHBondContact O-CG1 3.32Å; I209-I213 PolarHBondContact O-N 2.81Å; I209-I359 HydrophobicContact CD1-CG2 4.04Å; I209-I359 HydrophobicContact CG1-CG2 4.15Å
210	E	90.6	Very high	89.3	Confident	9 Å²	9	30.5 Å²	30.5	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-57.8	-43.4	178.3	-177.9	177.6	111.9	0	0	111.2	S145 Y149 L206 T212 I213 V214	S145-E210 WeakPolarHBondContact CB-OE1 3.16Å; S145-E210 PolarHBondContact OG-OE1 3.39Å; Y149-E210 WeakPolarHBondContact CE2-OE2 3.3Å; Y149-E210 PolarHBondContact OH-OE2 3.44Å; Y149-E210 VanDerWaalsContact OH-OE2 3.13Å; L206-E210 WeakPolarHBondContact O-CB 3.35Å; L206-E210 PolarHBondContact O-N 3.37Å; E210-T212 VanDerWaalsContact C-N 3.33Å; E210-T212 PolarHBondContact O-N 3.15Å; E210-I213 PolarHBondContact O-N 3.48Å; E210-V214 WeakPolarHBondContact O-CG2 3.2Å; E210-V214 PolarHBondContact O-N 3.07Å
211	R	89.1	Confident	88	Confident	8 Å²	8	30.6 Å²	30.6	3%	0.03	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-39.8	176.2	-75	-47	95	-179.1	5.8	112.8	S145 S146 I207 T208 I209 I213 V214 I215 I367 L533	S145-R211 PolarHBondContact OG-NH2 3.34Å; S146-R211 PolarHBondContact OG-NE 3.39Å; S146-R211 PolarHBondContact OG-NH1 3.42Å; S146-R211 PolarHBondContact OG-NH2 3.29Å; I207-R211 WeakPolarHBondContact O-CB 3.45Å; I207-R211 VanDerWaalsContact O-CG 3.28Å; I207-R211 WeakPolarHBondContact O-CG 3.22Å; I207-R211 PolarHBondContact O-N 3.35Å; T208-R211 PolarHBondContact O-N 3.36Å; I209-R211 VanDerWaalsContact C-N 3.28Å; I209-R211 PolarHBondContact O-N 2.88Å; R211-I213 VanDerWaalsContact C-N 3.34Å; R211-V214 PolarHBondContact O-N 2.95Å; R211-I215 WeakPolarHBondContact O-CB 3.42Å; R211-I215 VanDerWaalsContact O-CG1 3.26Å; R211-I215 WeakPolarHBondContact O-CG1 3.44Å; R211-I215 PolarHBondContact O-N 2.99Å; R211-I367 HydrophobicContact CB-CD1 4.11Å; R211-L533 VanDerWaalsContact CD-CD1 3.42Å; R211-L533 HydrophobicContact CG-CB 4.4Å; R211-L533 HydrophobicContact CG-CD1 3.25Å; R211-L533 HydrophobicContact CG-CG 4.42Å
212	T	89.7	Confident	86.6	Confident	12 Å²	12	32.7 Å²	32.7	7%	0.074	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-46.7	176.4	-58.3	0	0	0	0	110.2	T208 I209 E210 V214 I215 I216 L366 I367	T208-T212 WeakPolarHBondContact O-CB 3.47Å; T208-T212 PolarHBondContact O-N 3.47Å; T208-T212 PolarHBondContact O-OG1 2.96Å; I209-T212 WeakPolarHBondContact O-CB 3.31Å; I209-T212 PolarHBondContact O-N 3.07Å; I209-T212 VanDerWaalsContact O-N 3.07Å; E210-T212 VanDerWaalsContact C-N 3.33Å; E210-T212 PolarHBondContact O-N 3.15Å; T212-V214 PolarHBondContact O-N 3.24Å; T212-I215 PolarHBondContact O-N 2.9Å; T212-I216 HydrophobicContact CG2-CD1 3.54Å; T212-I216 HydrophobicContact CG2-CG1 4.33Å; T212-I216 WeakPolarHBondContact O-CB 3.43Å; T212-I216 VanDerWaalsContact O-CG1 3.29Å; T212-I216 WeakPolarHBondContact O-CG1 3.4Å; T212-I216 PolarHBondContact O-N 3.39Å; T212-L366 HydrophobicContact CG2-CB 4.12Å; T212-L366 HydrophobicContact CG2-CD1 4.21Å; T212-I367 WeakPolarHBondContact OG1-CG1 3.43Å
213	I	88.4	Confident	85.1	Confident	74 Å²	74	39.5 Å²	39.5	38%	0.379	21%	0.205	S	C	.	.	H	α-helix	trans	-59.8	-47.9	176.4	-65.6	166.4	0	0	0	111.2	I209 E210 R211 I215 I216 S217	I209-I213 HydrophobicContact CG2-CD1 3.83Å; I209-I213 HydrophobicContact CG2-CG1 4.42Å; I209-I213 WeakPolarHBondContact O-CG1 3.32Å; I209-I213 PolarHBondContact O-N 2.81Å; E210-I213 PolarHBondContact O-N 3.48Å; R211-I213 VanDerWaalsContact C-N 3.34Å; I213-I215 VanDerWaalsContact C-N 3.28Å; I213-I215 PolarHBondContact O-N 3.5Å; I213-I216 PolarHBondContact O-N 3.12Å; I213-S217 PolarHBondContact O-N 3.05Å
214	V	85.5	Confident	84	Confident	12 Å²	12	44 Å²	44	7%	0.073	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-34.9	-179.7	172.6	0	0	0	0	112	E210 R211 T212 M526	E210-V214 WeakPolarHBondContact O-CG2 3.2Å; E210-V214 PolarHBondContact O-N 3.07Å; R211-V214 PolarHBondContact O-N 2.95Å; T212-V214 PolarHBondContact O-N 3.24Å; V214-M526 HydrophobicContact CG1-CE 3.71Å
215	I	84.2	Confident	83.3	Confident	36 Å²	36	48.1 Å²	48.1	19%	0.185	25%	0.249	C	C	.	.	H	α-helix	trans	-78.6	-40	-178.9	-71	172.1	0	0	0	111.7	R211 T212 I213 I367 N370 T530	R211-I215 WeakPolarHBondContact O-CB 3.42Å; R211-I215 VanDerWaalsContact O-CG1 3.26Å; R211-I215 WeakPolarHBondContact O-CG1 3.44Å; R211-I215 PolarHBondContact O-N 2.99Å; T212-I215 PolarHBondContact O-N 2.9Å; I213-I215 VanDerWaalsContact C-N 3.28Å; I213-I215 PolarHBondContact O-N 3.5Å; I215-I367 HydrophobicContact CD1-CB 4.41Å; I215-I367 HydrophobicContact CD1-CG1 4.17Å; I215-I367 HydrophobicContact CD1-CG2 3.76Å; I215-N370 HydrophobicContact CG2-CB 3.52Å; I215-T530 HydrophobicContact CD1-CG2 3.61Å
216	I	85.9	Confident	82.8	Confident	78 Å²	78	49.4 Å²	49.4	40%	0.4	26%	0.255	S	S	.	.	H	α-helix	trans	-74.8	-42.2	179.6	-67.4	175.3	0	0	0	111.2	T212 I213 P218 N370	T212-I216 HydrophobicContact CG2-CD1 3.54Å; T212-I216 HydrophobicContact CG2-CG1 4.33Å; T212-I216 WeakPolarHBondContact O-CB 3.43Å; T212-I216 VanDerWaalsContact O-CG1 3.29Å; T212-I216 WeakPolarHBondContact O-CG1 3.4Å; T212-I216 PolarHBondContact O-N 3.39Å; I213-I216 PolarHBondContact O-N 3.12Å; I216-P218 VanDerWaalsContact O-CD 3.25Å; I216-P218 WeakPolarHBondContact O-CD 3.45Å; I216-N370 WeakPolarHBondContact CG1-ND2 3.32Å
217	S	82.2	Confident	82.4	Confident	46 Å²	46	51 Å²	51	32%	0.322	26%	0.263	S	S	.	.			trans	-124	69.2	-173	-62.6	0	0	0	0	111.6	I213 I219 S220 S221	I213-S217 PolarHBondContact O-N 3.05Å; S217-I219 VanDerWaalsContact C-N 3.31Å; S217-I219 PolarHBondContact O-N 3.33Å; S217-S220 PolarHBondContact O-N 2.67Å; S217-S221 PolarHBondContact O-N 3.27Å; S217-S221 VanDerWaalsContact O-N 3.08Å
218	P	76.7	Confident	82.3	Confident	46 Å²	46	57 Å²	57	30%	0.299	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-39.2	-177.9	25.8	-35	0	0	0	111.8	I216 S221 I491	I216-P218 VanDerWaalsContact O-CD 3.25Å; I216-P218 WeakPolarHBondContact O-CD 3.45Å; P218-S221 WeakPolarHBondContact O-CB 3.48Å; P218-S221 PolarHBondContact O-N 3.16Å; P218-S221 PolarHBondContact O-OG 2.77Å; P218-I491 HydrophobicContact CB-CB 4.24Å; P218-I491 HydrophobicContact CB-CD1 3.34Å; P218-I491 HydrophobicContact CB-CG1 3.59Å; P218-I491 HydrophobicContact CB-CG2 3.75Å; P218-I491 HydrophobicContact CG-CG2 4.36Å; P218-I491 WeakPolarHBondContact O-CD1 3.31Å
219	I	72.2	Confident	82.2	Confident	97 Å²	97	60.2 Å²	60.2	50%	0.497	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-42.9	-179.4	-61.4	169.7	0	0	0	111.1	S217 S221 I222 Y223 I491	S217-I219 VanDerWaalsContact C-N 3.31Å; S217-I219 PolarHBondContact O-N 3.33Å; I219-S221 VanDerWaalsContact C-N 3.26Å; I219-S221 PolarHBondContact O-N 3.11Å; I219-I222 VanDerWaalsContact O-CB 3.26Å; I219-I222 WeakPolarHBondContact O-CB 3.46Å; I219-I222 VanDerWaalsContact O-CG1 3.28Å; I219-I222 WeakPolarHBondContact O-CG1 3.37Å; I219-I222 PolarHBondContact O-N 3.41Å; I219-I222 VanDerWaalsContact O-N 3.13Å; I219-Y223 HydrophobicContact CG2-CE2 4.18Å; I219-Y223 WeakPolarHBondContact O-CD2 3.35Å; I219-I491 HydrophobicContact CG1-CG2 4.14Å
220	S	75.6	Confident	82.2	Confident	63 Å²	63	57.1 Å²	57.1	44%	0.441	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-32.9	176.7	-50.5	0	0	0	0	112.1	S217 I222 Y223 M224	S217-S220 PolarHBondContact O-N 2.67Å; S220-I222 PolarHBondContact O-N 3.36Å; S220-I222 VanDerWaalsContact O-N 3.09Å; S220-Y223 PolarHBondContact O-N 3.5Å; S220-Y223 VanDerWaalsContact O-N 3.09Å; S220-M224 PolarHBondContact O-N 2.86Å
221	S	68.7	Low	82.4	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.014	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-16.1	176.3	80.3	0	0	0	0	114	S217 P218 I219 H226 H489	S217-S221 PolarHBondContact O-N 3.27Å; S217-S221 VanDerWaalsContact O-N 3.08Å; P218-S221 WeakPolarHBondContact O-CB 3.48Å; P218-S221 PolarHBondContact O-N 3.16Å; P218-S221 PolarHBondContact O-OG 2.77Å; I219-S221 VanDerWaalsContact C-N 3.26Å; I219-S221 PolarHBondContact O-N 3.11Å; S221-H226 WeakPolarHBondContact CA-NE2 3.34Å; S221-H226 WeakPolarHBondContact CB-NE2 3.36Å; S221-H226 PolarHBondContact O-NE2 2.78Å; S221-H489 PolarHBondContact O-CE1 3.47Å; S221-H489 PolarHBondContact O-NE2 3.02Å; S221-H489 PolarHBondContact OG-CE1 3Å
222	I	67.8	Low	82.7	Confident	44 Å²	44	64.2 Å²	64.2	23%	0.226	32%	0.319	C	S	.	.	H	α-helix	trans	-70.1	-41.2	174.6	-51.8	-173.8	0	0	0	111.6	I219 S220 H489 I491 V492	I219-I222 VanDerWaalsContact O-CB 3.26Å; I219-I222 WeakPolarHBondContact O-CB 3.46Å; I219-I222 VanDerWaalsContact O-CG1 3.28Å; I219-I222 WeakPolarHBondContact O-CG1 3.37Å; I219-I222 PolarHBondContact O-N 3.41Å; I219-I222 VanDerWaalsContact O-N 3.13Å; S220-I222 PolarHBondContact O-N 3.36Å; S220-I222 VanDerWaalsContact O-N 3.09Å; I222-H489 WeakPolarHBondContact CA-NE2 3.39Å; I222-H489 HydrophobicContact CB-CB 4.44Å; I222-H489 HydrophobicContact CD1-CB 4.49Å; I222-H489 HydrophobicContact CG1-CB 4.2Å; I222-H489 WeakPolarHBondContact CG1-ND1 3.36Å; I222-H489 HydrophobicContact CG2-CB 3.8Å; I222-I491 HydrophobicContact CD1-CB 4.16Å; I222-I491 HydrophobicContact CD1-CG2 4.24Å; I222-V492 HydrophobicContact CD1-CB 4.33Å; I222-V492 HydrophobicContact CD1-CG2 3.27Å
223	Y	65.4	Low	83	Confident	195 Å²	195	68 Å²	68	77%	0.765	34%	0.335	S	S	*	.	H	α-helix	trans	-84.4	-19.4	-175.7	-59.1	-77	0	0	0	112.3	I219 S220	I219-Y223 HydrophobicContact CG2-CE2 4.18Å; I219-Y223 WeakPolarHBondContact O-CD2 3.35Å; S220-Y223 PolarHBondContact O-N 3.5Å; S220-Y223 VanDerWaalsContact O-N 3.09Å
224	M	73.5	Confident	83.5	Confident	94 Å²	94	64.6 Å²	64.6	46%	0.463	32%	0.318	S	S	.	.	S	Bend	trans	-82.6	127.1	-179.6	-70.8	-166.9	131.3	0	0	112.5	S220 H226	S220-M224 PolarHBondContact O-N 2.86Å; M224-H226 PolarHBondContact O-CD2 3.31Å; M224-H226 PolarHBondContact O-N 3.17Å
225	N	82.2	Confident	84.1	Confident	89 Å²	89	69.1 Å²	69.1	48%	0.476	34%	0.34	S	S	.	.			trans	-79.2	75.2	169.3	-172.2	-9.3	0	0	0	110.5	I227 K228 H229	N225-I227 PolarHBondContact O-N 3.28Å; N225-I227 VanDerWaalsContact O-N 3.1Å; N225-I227 PolarHBondContact OD1-N 2.96Å; N225-K228 HydrophobicContact CB-CB 4.34Å; N225-K228 PolarHBondContact O-N 3.11Å; N225-K228 VanDerWaalsContact O-N 3.16Å; N225-K228 PolarHBondContact OD1-N 3.06Å; N225-H229 PolarHBondContact O-CD2 3.04Å; N225-H229 PolarHBondContact O-N 3.25Å; N225-H229 VanDerWaalsContact O-N 3.11Å
226	H	84.6	Confident	84.7	Confident	28 Å²	28	70 Å²	70	13%	0.13	35%	0.349	C	S	.	.	H	α-helix	trans	-56.6	-26.8	-177.7	-71.1	-76.4	0	0	0	113.8	S145 S221 M224 S230	S145-H226 WeakPolarHBondContact CB-O 3.49Å; S221-H226 WeakPolarHBondContact CA-NE2 3.34Å; S221-H226 WeakPolarHBondContact CB-NE2 3.36Å; S221-H226 PolarHBondContact O-NE2 2.78Å; M224-H226 PolarHBondContact O-CD2 3.31Å; M224-H226 PolarHBondContact O-N 3.17Å; H226-S230 WeakPolarHBondContact O-CB 3.34Å; H226-S230 PolarHBondContact O-N 2.91Å; H226-S230 PolarHBondContact O-OG 2.66Å
227	I	87.4	Confident	85.3	Confident	68 Å²	68	67 Å²	67	35%	0.349	34%	0.335	S	S	.	.	H	α-helix	trans	-65.7	-55.5	176	-59.6	175.8	0	0	0	110.2	P144 I148 N225 H229 S230 Y231	P144-I227 HydrophobicContact CB-CD1 3.68Å; P144-I227 HydrophobicContact CB-CG1 3.77Å; P144-I227 HydrophobicContact CG-CD1 3.32Å; P144-I227 HydrophobicContact CG-CG1 3.39Å; I148-I227 HydrophobicContact CD1-CG2 3.77Å; N225-I227 PolarHBondContact O-N 3.28Å; N225-I227 VanDerWaalsContact O-N 3.1Å; N225-I227 PolarHBondContact OD1-N 2.96Å; I227-H229 VanDerWaalsContact C-N 3.28Å; I227-H229 PolarHBondContact O-N 3.13Å; I227-S230 PolarHBondContact O-N 2.99Å; I227-S230 VanDerWaalsContact O-N 3.15Å; I227-S230 PolarHBondContact O-OG 3.16Å; I227-Y231 HydrophobicContact CG2-CD2 4.16Å; I227-Y231 HydrophobicContact CG2-CE2 3.92Å; I227-Y231 WeakPolarHBondContact O-CD2 3.03Å; I227-Y231 PolarHBondContact O-N 3Å
228	K	91.3	Very high	86	Confident	130 Å²	130	66.9 Å²	66.9	57%	0.565	33%	0.333	S	S	*	.	H	α-helix	trans	-58.7	-43.9	179.9	-177.3	179.9	176.8	-179	0	110.7	N225 S230 Y231 I232	N225-K228 HydrophobicContact CB-CB 4.34Å; N225-K228 PolarHBondContact O-N 3.11Å; N225-K228 VanDerWaalsContact O-N 3.16Å; N225-K228 PolarHBondContact OD1-N 3.06Å; K228-S230 PolarHBondContact O-N 3.15Å; K228-Y231 PolarHBondContact O-N 3.39Å; K228-I232 HydrophobicContact CG-CD1 3.9Å; K228-I232 WeakPolarHBondContact O-CG1 3.43Å; K228-I232 PolarHBondContact O-N 2.97Å; K228-I232 VanDerWaalsContact O-N 3.11Å
229	H	91.5	Very high	87.1	Confident	68 Å²	68	67.8 Å²	67.8	32%	0.315	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-39.6	177.1	-70.1	-60.5	0	0	0	112.7	N225 I227 Y231 I232 F233	N225-H229 PolarHBondContact O-CD2 3.04Å; N225-H229 PolarHBondContact O-N 3.25Å; N225-H229 VanDerWaalsContact O-N 3.11Å; I227-H229 VanDerWaalsContact C-N 3.28Å; I227-H229 PolarHBondContact O-N 3.13Å; H229-Y231 PolarHBondContact O-N 3.34Å; H229-I232 PolarHBondContact O-N 3.46Å; H229-F233 HydrophobicContact CB-CD2 4.34Å; H229-F233 HydrophobicContact CB-CE2 3.93Å; H229-F233 HydrophobicContact CB-CZ 4.33Å; H229-F233 WeakPolarHBondContact O-CB 3.43Å; H229-F233 VanDerWaalsContact O-CD2 3.29Å; H229-F233 WeakPolarHBondContact O-CD2 3.39Å; H229-F233 VanDerWaalsContact O-CG 3.26Å; H229-F233 WeakPolarHBondContact O-CG 3.37Å; H229-F233 PolarHBondContact O-N 3.47Å
230	S	92.9	Very high	88.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-43.3	177.4	65.4	0	0	0	0	113.1	Y149 H226 I227 K228 F233 I234	Y149-S230 VanDerWaalsContact CE2-CB 3.49Å; Y149-S230 WeakPolarHBondContact OH-CA 3.47Å; H226-S230 WeakPolarHBondContact O-CB 3.34Å; H226-S230 PolarHBondContact O-N 2.91Å; H226-S230 PolarHBondContact O-OG 2.66Å; I227-S230 PolarHBondContact O-N 2.99Å; I227-S230 VanDerWaalsContact O-N 3.15Å; I227-S230 PolarHBondContact O-OG 3.16Å; K228-S230 PolarHBondContact O-N 3.15Å; S230-F233 PolarHBondContact O-N 2.98Å; S230-I234 WeakPolarHBondContact O-CB 3.39Å; S230-I234 VanDerWaalsContact O-CG1 3.23Å; S230-I234 WeakPolarHBondContact O-CG1 3.18Å; S230-I234 PolarHBondContact O-N 2.92Å
231	Y	95	Very high	89.4	Confident	94 Å²	94	64.8 Å²	64.8	37%	0.369	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-44.5	174	-76.6	-68.9	0	0	0	112.6	I148 F152 I227 K228 H229 F233 I234 I235	I148-Y231 HydrophobicContact CD1-CD2 4.32Å; I148-Y231 HydrophobicContact CD1-CE2 3.62Å; I148-Y231 HydrophobicContact CG1-CE2 4.43Å; I148-Y231 HydrophobicContact CG2-CD1 4.44Å; I148-Y231 HydrophobicContact CG2-CE1 4.1Å; F152-Y231 HydrophobicContact CE2-CD1 4.24Å; F152-Y231 AromaticContact CE2-CE1 3.86Å; F152-Y231 HydrophobicContact CE2-CE1 3.86Å; F152-Y231 HydrophobicContact CZ-CE1 4.24Å; I227-Y231 HydrophobicContact CG2-CD2 4.16Å; I227-Y231 HydrophobicContact CG2-CE2 3.92Å; I227-Y231 WeakPolarHBondContact O-CD2 3.03Å; I227-Y231 PolarHBondContact O-N 3Å; K228-Y231 PolarHBondContact O-N 3.39Å; H229-Y231 PolarHBondContact O-N 3.34Å; Y231-F233 PolarHBondContact O-N 3.39Å; Y231-I234 PolarHBondContact O-N 3.34Å; Y231-I235 WeakPolarHBondContact O-CB 3.33Å; Y231-I235 WeakPolarHBondContact O-CD1 3.41Å; Y231-I235 VanDerWaalsContact O-CG1 3.31Å; Y231-I235 WeakPolarHBondContact O-CG1 3.35Å; Y231-I235 PolarHBondContact O-N 3.18Å
232	I	96.2	Very high	90.7	Very high	72 Å²	72	67 Å²	67	37%	0.369	33%	0.333	S	S	.	.	H	α-helix	trans	-59.9	-48	178.1	-67.7	167.9	0	0	0	110.2	K228 H229 I234 I235 S236	K228-I232 HydrophobicContact CG-CD1 3.9Å; K228-I232 WeakPolarHBondContact O-CG1 3.43Å; K228-I232 PolarHBondContact O-N 2.97Å; K228-I232 VanDerWaalsContact O-N 3.11Å; H229-I232 PolarHBondContact O-N 3.46Å; I232-I234 PolarHBondContact O-N 3.36Å; I232-I235 PolarHBondContact O-N 2.98Å; I232-S236 WeakPolarHBondContact O-CB 3.42Å; I232-S236 PolarHBondContact O-N 3.13Å; I232-S236 PolarHBondContact O-OG 3.07Å; I232-S236 VanDerWaalsContact O-OG 3.05Å
233	F	96.7	Very high	92.2	Very high	91 Å²	91	70.3 Å²	70.3	40%	0.399	35%	0.349	S	S	.	.	H	α-helix	trans	-64.7	-39.3	-179.3	-64.3	-32.8	0	0	0	112.7	Y149 L206 H229 S230 Y231 L237	Y149-F233 WeakPolarHBondContact OH-CD2 3.32Å; L206-F233 HydrophobicContact CD1-CB 4.05Å; L206-F233 HydrophobicContact CD2-CB 4.27Å; H229-F233 HydrophobicContact CB-CD2 4.34Å; H229-F233 HydrophobicContact CB-CE2 3.93Å; H229-F233 HydrophobicContact CB-CZ 4.33Å; H229-F233 WeakPolarHBondContact O-CB 3.43Å; H229-F233 VanDerWaalsContact O-CD2 3.29Å; H229-F233 WeakPolarHBondContact O-CD2 3.39Å; H229-F233 VanDerWaalsContact O-CG 3.26Å; H229-F233 WeakPolarHBondContact O-CG 3.37Å; H229-F233 PolarHBondContact O-N 3.47Å; S230-F233 PolarHBondContact O-N 2.98Å; Y231-F233 PolarHBondContact O-N 3.39Å; F233-L237 VanDerWaalsContact O-CB 3.27Å; F233-L237 WeakPolarHBondContact O-CB 3.31Å; F233-L237 PolarHBondContact O-N 2.7Å
234	I	97.4	Very high	93.6	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-65.7	-46.2	175.7	-68.1	169.2	0	0	0	110.9	I148 Y149 F152 S230 Y231 I232 L237 C238	I148-I234 HydrophobicContact CG2-CD1 3.9Å; Y149-I234 HydrophobicContact CD1-CD1 3.68Å; Y149-I234 HydrophobicContact CD1-CG1 3.75Å; Y149-I234 HydrophobicContact CE1-CD1 4.04Å; Y149-I234 HydrophobicContact CE1-CG1 3.79Å; Y149-I234 HydrophobicContact CG-CD1 4.34Å; F152-I234 HydrophobicContact CB-CD1 4.17Å; F152-I234 HydrophobicContact CD1-CG2 4.15Å; F152-I234 HydrophobicContact CD2-CD1 3.48Å; F152-I234 VanDerWaalsContact CD2-CD1 3.48Å; F152-I234 HydrophobicContact CD2-CG2 4.36Å; F152-I234 HydrophobicContact CE1-CG2 4.43Å; F152-I234 HydrophobicContact CE2-CD1 4.08Å; F152-I234 HydrophobicContact CG-CD1 3.98Å; F152-I234 HydrophobicContact CG-CG2 4.11Å; S230-I234 WeakPolarHBondContact O-CB 3.39Å; S230-I234 VanDerWaalsContact O-CG1 3.23Å; S230-I234 WeakPolarHBondContact O-CG1 3.18Å; S230-I234 PolarHBondContact O-N 2.92Å; Y231-I234 PolarHBondContact O-N 3.34Å; I232-I234 PolarHBondContact O-N 3.36Å; I234-L237 PolarHBondContact O-N 3.15Å; I234-C238 PolarHBondContact O-N 3.07Å; I234-C238 PolarHBondContact O-SG 3.4Å
235	I	97.8	Very high	94.7	Very high	106 Å²	106	59.2 Å²	59.2	54%	0.544	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-47.6	178.2	-70.6	162.3	0	0	0	110.5	Y231 I232 L237 C238 C239	Y231-I235 WeakPolarHBondContact O-CB 3.33Å; Y231-I235 WeakPolarHBondContact O-CD1 3.41Å; Y231-I235 VanDerWaalsContact O-CG1 3.31Å; Y231-I235 WeakPolarHBondContact O-CG1 3.35Å; Y231-I235 PolarHBondContact O-N 3.18Å; I232-I235 PolarHBondContact O-N 2.98Å; I235-L237 VanDerWaalsContact C-N 3.3Å; I235-L237 PolarHBondContact O-N 3.01Å; I235-C238 PolarHBondContact O-N 3.39Å; I235-C239 PolarHBondContact O-N 3.4Å; I235-C239 PolarHBondContact O-SG 3.23Å; I235-C239 VanDerWaalsContact O-SG 3.37Å
236	S	98	Very high	95.4	Very high	54 Å²	54	58.7 Å²	58.7	38%	0.378	30%	0.302	S	S	.	.	H	α-helix	trans	-59.1	-41.4	176.6	-65.3	0	0	0	0	111.8	I232 C239 I240	I232-S236 WeakPolarHBondContact O-CB 3.42Å; I232-S236 PolarHBondContact O-N 3.13Å; I232-S236 PolarHBondContact O-OG 3.07Å; I232-S236 VanDerWaalsContact O-OG 3.05Å; S236-C239 PolarHBondContact O-N 3.21Å; S236-I240 WeakPolarHBondContact O-CB 3.08Å; S236-I240 WeakPolarHBondContact O-CD1 3.45Å; S236-I240 VanDerWaalsContact O-CG1 3.23Å; S236-I240 WeakPolarHBondContact O-CG1 3.03Å; S236-I240 PolarHBondContact O-N 3.43Å
237	L	98.1	Very high	95.9	Very high	17 Å²	17	58.9 Å²	58.9	9%	0.089	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-45.7	175.9	174.1	60.1	0	0	0	111.8	I199 W202 I203 L206 F233 I234 I235 C239 I240 A241	I199-L237 HydrophobicContact CG2-CD2 4.36Å; W202-L237 HydrophobicContact CB-CD1 3.4Å; W202-L237 HydrophobicContact CB-CD2 3.56Å; W202-L237 HydrophobicContact CB-CG 4.11Å; W202-L237 HydrophobicContact CG-CD1 3.97Å; I203-L237 HydrophobicContact CG1-CD2 3.9Å; L206-L237 HydrophobicContact CD1-CB 4.3Å; L206-L237 HydrophobicContact CD1-CD2 3.88Å; F233-L237 VanDerWaalsContact O-CB 3.27Å; F233-L237 WeakPolarHBondContact O-CB 3.31Å; F233-L237 PolarHBondContact O-N 2.7Å; I234-L237 PolarHBondContact O-N 3.15Å; I235-L237 VanDerWaalsContact C-N 3.3Å; I235-L237 PolarHBondContact O-N 3.01Å; L237-C239 VanDerWaalsContact C-N 3.32Å; L237-C239 PolarHBondContact O-N 3.25Å; L237-I240 PolarHBondContact O-N 3.41Å; L237-A241 VanDerWaalsContact O-CB 3.32Å; L237-A241 WeakPolarHBondContact O-CB 3.45Å; L237-A241 PolarHBondContact O-N 3.39Å
238	C	98.2	Very high	96.2	Very high	43 Å²	43	55.7 Å²	55.7	29%	0.291	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-43.3	175.8	-67.9	0	0	0	0	111.5	I199 I234 I235 T242	I199-C238 HydrophobicContact CD1-CB 4.39Å; I234-C238 PolarHBondContact O-N 3.07Å; I234-C238 PolarHBondContact O-SG 3.4Å; I235-C238 PolarHBondContact O-N 3.39Å; C238-T242 WeakPolarHBondContact O-CB 3.36Å; C238-T242 VanDerWaalsContact O-CG2 3.22Å; C238-T242 WeakPolarHBondContact O-CG2 3.28Å; C238-T242 PolarHBondContact O-N 2.92Å; C238-T242 PolarHBondContact O-OG1 3.13Å
239	C	98.3	Very high	96.4	Very high	65 Å²	65	52.8 Å²	52.8	44%	0.439	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-45	175.6	-66.9	0	0	0	0	112.2	I235 S236 L237 T242 I243	I235-C239 PolarHBondContact O-N 3.4Å; I235-C239 PolarHBondContact O-SG 3.23Å; I235-C239 VanDerWaalsContact O-SG 3.37Å; S236-C239 PolarHBondContact O-N 3.21Å; L237-C239 VanDerWaalsContact C-N 3.32Å; L237-C239 PolarHBondContact O-N 3.25Å; C239-T242 WeakPolarHBondContact CA-OG1 3.38Å; C239-T242 PolarHBondContact O-OG1 3.34Å; C239-I243 WeakPolarHBondContact O-CB 3.4Å; C239-I243 WeakPolarHBondContact O-CD1 3.25Å; C239-I243 WeakPolarHBondContact O-CG1 3.44Å; C239-I243 PolarHBondContact O-N 3.3Å
240	I	98.1	Very high	96.5	Very high	95 Å²	95	57.1 Å²	57.1	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-48.1	179.8	-68.3	163.3	0	0	0	110.6	S236 L237 T242 I243 I244	S236-I240 WeakPolarHBondContact O-CB 3.08Å; S236-I240 WeakPolarHBondContact O-CD1 3.45Å; S236-I240 VanDerWaalsContact O-CG1 3.23Å; S236-I240 WeakPolarHBondContact O-CG1 3.03Å; S236-I240 PolarHBondContact O-N 3.43Å; L237-I240 PolarHBondContact O-N 3.41Å; I240-T242 VanDerWaalsContact C-N 3.33Å; I240-T242 PolarHBondContact O-N 3.49Å; I240-I243 PolarHBondContact O-N 3.15Å; I240-I244 HydrophobicContact CG2-CD1 3.68Å; I240-I244 HydrophobicContact CG2-CG1 4.39Å; I240-I244 VanDerWaalsContact O-CG1 3.29Å; I240-I244 WeakPolarHBondContact O-CG1 3.42Å; I240-I244 PolarHBondContact O-N 2.94Å
241	A	97.6	Very high	96.5	Very high	2 Å²	2	57.3 Å²	57.3	2%	0.017	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-40.2	-179.9	0	0	0	0	0	111.9	T195 I199 L237 S245	T195-A241 HydrophobicContact CG2-CB 4.26Å; I199-A241 HydrophobicContact CD1-CB 4.27Å; I199-A241 HydrophobicContact CG1-CB 3.63Å; L237-A241 VanDerWaalsContact O-CB 3.32Å; L237-A241 WeakPolarHBondContact O-CB 3.45Å; L237-A241 PolarHBondContact O-N 3.39Å; A241-S245 PolarHBondContact O-N 2.74Å; A241-S245 VanDerWaalsContact O-N 3.15Å; A241-S245 PolarHBondContact O-OG 3.47Å
242	T	97.4	Very high	96.3	Very high	48 Å²	48	53.1 Å²	53.1	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-48.3	175.1	48.1	0	0	0	0	111.3	F191 T195 C238 C239 I240 I244 S245 L246	F191-T242 HydrophobicContact CZ-CG2 4.29Å; T195-T242 HydrophobicContact CG2-CG2 3.78Å; C238-T242 WeakPolarHBondContact O-CB 3.36Å; C238-T242 VanDerWaalsContact O-CG2 3.22Å; C238-T242 WeakPolarHBondContact O-CG2 3.28Å; C238-T242 PolarHBondContact O-N 2.92Å; C238-T242 PolarHBondContact O-OG1 3.13Å; C239-T242 WeakPolarHBondContact CA-OG1 3.38Å; C239-T242 PolarHBondContact O-OG1 3.34Å; I240-T242 VanDerWaalsContact C-N 3.33Å; I240-T242 PolarHBondContact O-N 3.49Å; T242-I244 VanDerWaalsContact C-N 3.33Å; T242-I244 PolarHBondContact O-N 3.42Å; T242-S245 CarbonylContact O-C 3.57Å; T242-S245 PolarHBondContact O-N 3.02Å; T242-S245 VanDerWaalsContact O-N 3.11Å; T242-L246 WeakPolarHBondContact O-CG 3.42Å; T242-L246 PolarHBondContact O-N 3.33Å
243	I	97.8	Very high	96.1	Very high	113 Å²	113	52.3 Å²	52.3	58%	0.579	27%	0.273	S	S	*	.	H	α-helix	trans	-56.8	-46.5	177.8	-70.6	164.6	0	0	0	111.4	C239 I240 S245 L246	C239-I243 WeakPolarHBondContact O-CB 3.4Å; C239-I243 WeakPolarHBondContact O-CD1 3.25Å; C239-I243 WeakPolarHBondContact O-CG1 3.44Å; C239-I243 PolarHBondContact O-N 3.3Å; I240-I243 PolarHBondContact O-N 3.15Å; I243-S245 VanDerWaalsContact C-N 3.25Å; I243-S245 PolarHBondContact O-N 3.25Å; I243-L246 PolarHBondContact O-N 2.83Å
244	I	96.2	Very high	95.8	Very high	56 Å²	56	49.6 Å²	49.6	29%	0.287	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-39.4	179	-70.8	169.7	0	0	0	110.8	Y198 I240 T242 H247 W344 L351	Y198-I244 HydrophobicContact CD2-CG2 4.4Å; Y198-I244 HydrophobicContact CE2-CG2 3.83Å; I240-I244 HydrophobicContact CG2-CD1 3.68Å; I240-I244 HydrophobicContact CG2-CG1 4.39Å; I240-I244 VanDerWaalsContact O-CG1 3.29Å; I240-I244 WeakPolarHBondContact O-CG1 3.42Å; I240-I244 PolarHBondContact O-N 2.94Å; T242-I244 VanDerWaalsContact C-N 3.33Å; T242-I244 PolarHBondContact O-N 3.42Å; I244-H247 PolarHBondContact O-CD2 3.41Å; I244-W344 HydrophobicContact CG2-CH2 4.01Å; I244-W344 HydrophobicContact CG2-CZ3 4.46Å; I244-L351 HydrophobicContact CD1-CD1 4.04Å; I244-L351 HydrophobicContact CG2-CD1 3.9Å
245	S	95.9	Very high	95.2	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-82.7	-12.9	-178.9	-57.2	0	0	0	0	114.3	F191 T195 A241 T242 I243 H247 F248	F191-S245 WeakPolarHBondContact CD2-O 3.29Å; T195-S245 WeakPolarHBondContact OG1-CB 3.28Å; T195-S245 PolarHBondContact OG1-OG 3.38Å; A241-S245 PolarHBondContact O-N 2.74Å; A241-S245 VanDerWaalsContact O-N 3.15Å; A241-S245 PolarHBondContact O-OG 3.47Å; T242-S245 CarbonylContact O-C 3.57Å; T242-S245 PolarHBondContact O-N 3.02Å; T242-S245 VanDerWaalsContact O-N 3.11Å; I243-S245 VanDerWaalsContact C-N 3.25Å; I243-S245 PolarHBondContact O-N 3.25Å; S245-H247 PolarHBondContact O-N 2.95Å; S245-F248 WeakPolarHBondContact O-CD2 3.32Å; S245-F248 PolarHBondContact O-N 3.44Å; S245-F248 VanDerWaalsContact O-N 3.16Å
246	L	96.8	Very high	94.4	Very high	79 Å²	79	48.9 Å²	48.9	41%	0.414	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.5	-175.4	-81.4	176	0	0	0	113.4	F191 T242 I243 F248 F249	F191-L246 HydrophobicContact CE2-CD2 4.04Å; F191-L246 HydrophobicContact CE2-CG 4.47Å; T242-L246 WeakPolarHBondContact O-CG 3.42Å; T242-L246 PolarHBondContact O-N 3.33Å; I243-L246 PolarHBondContact O-N 2.83Å; L246-F248 PolarHBondContact O-N 3.2Å; L246-F248 VanDerWaalsContact O-N 3.13Å; L246-F249 HydrophobicContact CD2-CD2 4.29Å; L246-F249 HydrophobicContact CD2-CE2 4.38Å; L246-F249 PolarHBondContact O-N 3.36Å; L246-F249 VanDerWaalsContact O-N 3.17Å
247	H	95	Very high	92.8	Very high	32 Å²	32	47.7 Å²	47.7	15%	0.148	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.7	179.6	79.7	92.5	0	0	0	112.8	I244 S245 F249 F250 T251 F340 W344	I244-H247 PolarHBondContact O-CD2 3.41Å; S245-H247 PolarHBondContact O-N 2.95Å; H247-F249 PolarHBondContact O-N 3.5Å; H247-F249 VanDerWaalsContact O-N 3.1Å; H247-F250 CarbonylContact O-C 3.56Å; H247-F250 WeakPolarHBondContact O-CA 3.44Å; H247-F250 PolarHBondContact O-N 3.35Å; H247-T251 HydrophobicContact CB-CG2 4.1Å; H247-T251 PolarHBondContact ND1-OG1 3.1Å; H247-T251 WeakPolarHBondContact O-CG2 3.07Å; H247-T251 PolarHBondContact O-N 3.43Å; H247-T251 PolarHBondContact O-OG1 2.92Å; H247-T251 VanDerWaalsContact O-OG1 3.13Å; H247-F340 AromaticContact ND1-CE1 3.74Å; H247-F340 AromaticContact ND1-CZ 3.76Å; H247-W344 AromaticContact CD2-CH2 3.59Å; H247-W344 AromaticContact CD2-CZ3 3.69Å; H247-W344 AromaticContact CE1-CD2 3.72Å; H247-W344 AromaticContact CE1-CE2 3.65Å; H247-W344 AromaticContact CE1-CE3 3.88Å; H247-W344 AromaticContact CE1-CH2 3.96Å; H247-W344 AromaticContact CE1-CZ2 3.81Å; H247-W344 AromaticContact CE1-CZ3 3.99Å; H247-W344 AromaticContact NE2-CD2 3.76Å; H247-W344 AromaticContact NE2-CE2 3.42Å; H247-W344 AromaticContact NE2-CE3 3.71Å; H247-W344 AromaticContact NE2-CH2 3.03Å; H247-W344 WeakPolarHBondContact NE2-CH2 2.99Å; H247-W344 AromaticContact NE2-CZ2 3.08Å; H247-W344 WeakPolarHBondContact NE2-CZ2 3.28Å; H247-W344 AromaticContact NE2-CZ3 3.36Å; H247-W344 WeakPolarHBondContact NE2-CZ3 3.23Å
248	F	94.9	Very high	90.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.5	-30.3	179.3	-73.1	-62.6	0	0	0	112.8	T2 Q190 F191 V194 S245 L246 F250 V252 F331 W344	T2-F248 HydrophobicContact CG2-CE1 3.94Å; T2-F248 HydrophobicContact CG2-CZ 3.73Å; Q190-F248 HydrophobicContact CB-CB 4.26Å; Q190-F248 HydrophobicContact CB-CD1 3.69Å; Q190-F248 HydrophobicContact CB-CD2 4.33Å; Q190-F248 HydrophobicContact CB-CE1 4.08Å; Q190-F248 HydrophobicContact CB-CG 3.84Å; Q190-F248 HydrophobicContact CG-CD1 4.49Å; F191-F248 HydrophobicContact CB-CB 4.44Å; V194-F248 HydrophobicContact CB-CE2 3.81Å; V194-F248 HydrophobicContact CB-CZ 4.39Å; V194-F248 HydrophobicContact CG1-CE2 4.03Å; V194-F248 HydrophobicContact CG2-CE2 3.72Å; V194-F248 HydrophobicContact CG2-CZ 3.81Å; S245-F248 WeakPolarHBondContact O-CD2 3.32Å; S245-F248 PolarHBondContact O-N 3.44Å; S245-F248 VanDerWaalsContact O-N 3.16Å; L246-F248 PolarHBondContact O-N 3.2Å; L246-F248 VanDerWaalsContact O-N 3.13Å; F248-F250 PolarHBondContact O-N 3.41Å; F248-V252 HydrophobicContact CB-CG2 4.17Å; F248-V252 HydrophobicContact CD1-CG1 3.89Å; F248-V252 HydrophobicContact CD1-CG2 4.25Å; F248-V252 HydrophobicContact CE1-CG1 4.48Å; F248-V252 WeakPolarHBondContact O-CG2 3.31Å; F248-V252 PolarHBondContact O-N 2.98Å; F248-F331 HydrophobicContact CE1-CZ 4.3Å; F248-W344 HydrophobicContact CE1-CZ2 4.48Å; F248-W344 AromaticContact CE1-NE1 3.92Å; F248-W344 AromaticContact CE2-CZ2 3.75Å; F248-W344 HydrophobicContact CE2-CZ2 3.75Å; F248-W344 AromaticContact CZ-CE2 3.66Å; F248-W344 AromaticContact CZ-CZ2 3.51Å; F248-W344 HydrophobicContact CZ-CZ2 3.51Å; F248-W344 AromaticContact CZ-NE1 3.5Å
249	F	95.4	Very high	87.9	Confident	70 Å²	70	53.7 Å²	53.7	31%	0.307	29%	0.292	S	S	.	.	H	α-helix	trans	-65.3	-21.6	175.9	-71.8	-76.8	0	0	0	113.8	K187 F191 L246 H247	K187-F249 HydrophobicContact CB-CD1 4.04Å; K187-F249 HydrophobicContact CB-CE1 4.27Å; K187-F249 HydrophobicContact CD-CD1 4.3Å; K187-F249 WeakPolarHBondContact CE-O 3.44Å; K187-F249 PolarHBondContact NZ-O 3.14Å; F191-F249 HydrophobicContact CB-CE2 3.95Å; F191-F249 HydrophobicContact CB-CZ 4.15Å; F191-F249 AromaticContact CD1-CE2 3.86Å; F191-F249 HydrophobicContact CD1-CE2 3.86Å; F191-F249 AromaticContact CD1-CZ 3.98Å; F191-F249 HydrophobicContact CD1-CZ 3.98Å; F191-F249 HydrophobicContact CD2-CD2 4.23Å; F191-F249 AromaticContact CD2-CE2 3.57Å; F191-F249 HydrophobicContact CD2-CE2 3.57Å; F191-F249 HydrophobicContact CD2-CZ 4.43Å; F191-F249 HydrophobicContact CE1-CE2 4.27Å; F191-F249 HydrophobicContact CE2-CE2 4Å; F191-F249 HydrophobicContact CG-CD2 4.44Å; F191-F249 AromaticContact CG-CE2 3.5Å; F191-F249 HydrophobicContact CG-CE2 3.5Å; F191-F249 VanDerWaalsContact CG-CE2 3.5Å; F191-F249 AromaticContact CG-CZ 3.92Å; F191-F249 HydrophobicContact CG-CZ 3.92Å; F191-F249 HydrophobicContact CZ-CE2 4.33Å; L246-F249 HydrophobicContact CD2-CD2 4.29Å; L246-F249 HydrophobicContact CD2-CE2 4.38Å; L246-F249 PolarHBondContact O-N 3.36Å; L246-F249 VanDerWaalsContact O-N 3.17Å; H247-F249 PolarHBondContact O-N 3.5Å; H247-F249 VanDerWaalsContact O-N 3.1Å
250	F	93.5	Very high	84.8	Confident	158 Å²	158	55.4 Å²	55.4	69%	0.693	31%	0.305	S	S	*	.	H	α-helix	trans	-109.4	-30.8	-178.5	-55.1	-81	0	0	0	113	H247 F248 Y335	H247-F250 CarbonylContact O-C 3.56Å; H247-F250 WeakPolarHBondContact O-CA 3.44Å; H247-F250 PolarHBondContact O-N 3.35Å; F248-F250 PolarHBondContact O-N 3.41Å; F250-Y335 WeakPolarHBondContact O-CE2 3.34Å
251	T	92.8	Very high	81.8	Confident	5 Å²	5	60.3 Å²	60.3	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-94.8	-24.2	-171.1	63.9	0	0	0	0	114.3	H247 F331 Y332 Y335 F340	H247-T251 HydrophobicContact CB-CG2 4.1Å; H247-T251 PolarHBondContact ND1-OG1 3.1Å; H247-T251 WeakPolarHBondContact O-CG2 3.07Å; H247-T251 PolarHBondContact O-N 3.43Å; H247-T251 PolarHBondContact O-OG1 2.92Å; H247-T251 VanDerWaalsContact O-OG1 3.13Å; T251-F331 CarbonylContact O-C 3.56Å; T251-F331 WeakPolarHBondContact O-CA 3.33Å; T251-Y332 PolarHBondContact O-N 2.93Å; T251-Y335 HydrophobicContact CG2-CD1 4.08Å; T251-Y335 HydrophobicContact CG2-CD2 4.14Å; T251-Y335 HydrophobicContact CG2-CE1 3.94Å; T251-Y335 HydrophobicContact CG2-CE2 4.03Å; T251-Y335 HydrophobicContact CG2-CG 4.18Å; T251-F340 HydrophobicContact CG2-CD1 4.38Å; T251-F340 HydrophobicContact CG2-CE1 3.83Å; T251-F340 HydrophobicContact CG2-CZ 4.17Å
252	V	90.5	Very high	78.8	Confident	6 Å²	6	65.8 Å²	65.8	4%	0.036	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	146.2	178.9	-60.4	0	0	0	0	112.4	K187 Q190 F248 D330 F331	K187-V252 WeakPolarHBondContact CE-O 3.09Å; K187-V252 HydrophobicContact CG-CG2 4.27Å; Q190-V252 HydrophobicContact CB-CG2 4.44Å; Q190-V252 HydrophobicContact CG-CG2 4.28Å; F248-V252 HydrophobicContact CB-CG2 4.17Å; F248-V252 HydrophobicContact CD1-CG1 3.89Å; F248-V252 HydrophobicContact CD1-CG2 4.25Å; F248-V252 HydrophobicContact CE1-CG1 4.48Å; F248-V252 WeakPolarHBondContact O-CG2 3.31Å; F248-V252 PolarHBondContact O-N 2.98Å; V252-D330 WeakPolarHBondContact CA-O 3.46Å; V252-F331 HydrophobicContact CG1-CD1 4.07Å; V252-F331 HydrophobicContact CG1-CE1 4.13Å; V252-F331 HydrophobicContact CG1-CG 4.33Å; V252-F331 HydrophobicContact CG1-CZ 4.46Å
253	N	91.7	Very high	75.6	Confident	54 Å²	54	70.6 Å²	70.6	29%	0.289	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	172.5	174.6	-152.2	-6.7	0	0	0	110.9	V255 D330 Y332	N253-V255 PolarHBondContact O-N 3.25Å; N253-D330 PolarHBondContact N-O 2.95Å; N253-D330 PolarHBondContact O-N 2.99Å; N253-D330 VanDerWaalsContact O-N 3.16Å; N253-D330 VanDerWaalsContact O-O 3.09Å; N253-Y332 HydrophobicContact CB-CD2 4.46Å
254	L	89.7	Confident	72.6	Confident	35 Å²	35	73.5 Å²	73.5	18%	0.183	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	118.2	164.7	-68.7	178.2	0	0	0	108.9	D180 W183 C186 L327 I328 C329	D180-L254 WeakPolarHBondContact O-CD2 3.25Å; W183-L254 HydrophobicContact CB-CD1 4.14Å; W183-L254 HydrophobicContact CB-CG 4.33Å; C186-L254 HydrophobicContact CB-CD2 4.38Å; L254-L327 HydrophobicContact CB-CB 4.3Å; L254-L327 HydrophobicContact CB-CD2 4.45Å; L254-L327 HydrophobicContact CD1-CD1 4.3Å; L254-L327 HydrophobicContact CD2-CB 4.45Å; L254-I328 WeakPolarHBondContact CA-O 3.48Å; L254-C329 HydrophobicContact CD2-CB 4.41Å
255	V	85.8	Confident	69.6	Low	32 Å²	32	78.2 Å²	78.2	19%	0.194	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	144.5	178.3	-63	0	0	0	0	110.1	N253 L327 I328 D330	N253-V255 PolarHBondContact O-N 3.25Å; V255-L327 WeakPolarHBondContact O-CA 3.17Å; V255-I328 WeakPolarHBondContact CG2-O 3.32Å; V255-I328 PolarHBondContact N-O 3.12Å; V255-I328 PolarHBondContact O-N 3.37Å; V255-D330 HydrophobicContact CG2-CB 3.79Å
256	T	81.6	Confident	66.6	Low	63 Å²	63	84.7 Å²	84.7	39%	0.387	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.9	173.3	48.5	0	0	0	0	109.9	T258 N325 L327	T256-T258 VanDerWaalsContact C-N 3.35Å; T256-T258 PolarHBondContact O-N 3.23Å; T256-N325 HydrophobicContact CG2-CB 4.27Å; T256-L327 HydrophobicContact CG2-CD2 3.67Å
257	M	64.6	Low	63.6	Low	29 Å²	29	86.9 Å²	86.9	14%	0.143	45%	0.453	C	S	.	.			trans	-70	86.1	171.1	-78.8	-68.7	-176.9	0	0	110.8	I82 E83 H326 I328	I82-M257 HydrophobicContact CB-CB 4.11Å; I82-M257 HydrophobicContact CD1-CB 4.23Å; I82-M257 WeakPolarHBondContact CD1-O 3.45Å; E83-M257 HydrophobicContact CB-CE 3.88Å; E83-M257 HydrophobicContact CB-SD 4.14Å; E83-M257 HydrophobicContact CG-CE 3.74Å; E83-M257 HydrophobicContact CG-SD 3.85Å; E83-M257 WeakPolarHBondContact OE2-CE 3.49Å; M257-H326 PolarHBondContact N-O 2.84Å; M257-I328 HydrophobicContact CE-CB 3.99Å; M257-I328 HydrophobicContact CE-CD1 3.12Å; M257-I328 HydrophobicContact CE-CG1 4.05Å; M257-I328 HydrophobicContact CE-CG2 4.08Å; M257-I328 HydrophobicContact CG-CD1 3.84Å; M257-I328 HydrophobicContact CG-CG1 4.44Å; M257-I328 HydrophobicContact SD-CD1 4.29Å
258	T	54	Low	60.6	Low	97 Å²	97	93.1 Å²	93.1	60%	0.595	49%	0.487	S	S	*	.			trans	-85.1	126.1	174.6	52.1	0	0	0	0	110.4	T256 S260	T256-T258 VanDerWaalsContact C-N 3.35Å; T256-T258 PolarHBondContact O-N 3.23Å; T258-S260 PolarHBondContact O-N 2.87Å
259	S	39	Very low	57.6	Low	88 Å²	88	97.9 Å²	97.9	62%	0.615	52%	0.52	S	S	*	.			trans	-67	25.5	174.5	53.2	0	0	0	0	114.6	Y261	S259-Y261 PolarHBondContact O-N 3Å
260	S	32.5	Very low	54.5	Low	102 Å²	102	100.5 Å²	100.5	71%	0.713	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	30.4	-167	72.9	0	0	0	0	115	T258	T258-S260 PolarHBondContact O-N 2.87Å
261	Y	35	Very low	51.4	Low	198 Å²	198	103.8 Å²	103.8	78%	0.776	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	1	173.2	-162.9	-100.9	0	0	0	113.6	S259	S259-Y261 PolarHBondContact O-N 3Å
262	Y	33.9	Very low	48.3	Very low	116 Å²	116	109 Å²	109	46%	0.455	58%	0.582	S	S	.	*	S	Bend	trans	-117.2	-1	-175.9	-87.7	-77.6	0	0	0	117.9	H89	H89-Y262 HydrophobicContact CB-CE1 4.49Å; H89-Y262 HydrophobicContact CB-CE2 4.27Å; H89-Y262 VanDerWaalsContact CB-OH 3.27Å; H89-Y262 WeakPolarHBondContact CB-OH 3.09Å; H89-Y262 AromaticContact CD2-CE2 3.68Å; H89-Y262 AromaticContact CD2-CZ 3.91Å; H89-Y262 AromaticContact CG-CZ 3.88Å
263	D	31.7	Very low	45.4	Very low	150 Å²	150	115.6 Å²	115.6	80%	0.802	62%	0.616	S	S	*	*			trans	-104.7	47.7	178.7	-79.1	-28.1	0	0	0	114.1
264	Q	34.5	Very low	42.3	Very low	173 Å²	173	119.7 Å²	119.7	81%	0.808	64%	0.638	S	S	*	*	S	Bend	trans	-102.4	5.8	170	-99.5	-173.8	-14.1	0	0	114.9
265	N	33.6	Very low	39.4	Very low	155 Å²	155	126.2 Å²	126.2	83%	0.829	67%	0.667	S	S	*	*	S	Bend	trans	-115.3	7.2	179.6	-81.8	-8.3	0	0	0	115.8
266	N	31.5	Very low	36.7	Very low	136 Å²	136	129.5 Å²	129.5	73%	0.727	68%	0.684	S	S	*	*	S	Bend	trans	-109.3	102.1	164.2	-91.5	-13.7	0	0	0	110
267	T	34.2	Very low	34.3	Very low	126 Å²	126	136.7 Å²	136.7	77%	0.773	71%	0.705	S	S	*	*			trans	-54	137.3	167.1	42.4	0	0	0	0	110.5
268	N	32	Very low	32.7	Very low	163 Å²	163	140.8 Å²	140.8	87%	0.872	74%	0.737	S	S	*	*			trans	93.9	35.8	167.7	-50.9	-16.8	0	0	0	119.7
269	S	33.1	Very low	31.4	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	75%	0.745	S	S	*	*			trans	-111	118	156.4	59.3	0	0	0	0	111.5	W271	S269-W271 PolarHBondContact O-N 3.31Å
270	T	30.1	Very low	31	Very low	125 Å²	125	147.6 Å²	147.6	77%	0.767	75%	0.752	S	S	*	*			trans	-59.1	127.1	172.2	41.7	0	0	0	0	110.8	T272	T270-T272 PolarHBondContact O-N 3.08Å
271	W	27.5	Very low	30.6	Very low	226 Å²	226	149.7 Å²	149.7	86%	0.856	76%	0.756	S	S	*	*			trans	-65.4	93.7	171.1	-65.2	91.9	0	0	0	110.6	S269	S269-W271 PolarHBondContact O-N 3.31Å
272	T	28	Very low	30.4	Very low	116 Å²	116	147 Å²	147	71%	0.712	75%	0.753	S	S	*	*			trans	-90.9	102.2	159.9	45.2	0	0	0	0	108.3	T270 N274	T270-T272 PolarHBondContact O-N 3.08Å; T272-N274 VanDerWaalsContact C-N 3.33Å; T272-N274 PolarHBondContact O-N 3.32Å
273	I	29.5	Very low	29.9	Very low	143 Å²	143	148.3 Å²	148.3	73%	0.733	77%	0.768	S	S	*	*			trans	-69.4	94.3	166.3	-60.4	171.1	0	0	0	106.3	E275	I273-E275 VanDerWaalsContact C-N 3.35Å; I273-E275 HydrophobicContact CG2-CG 4.11Å; I273-E275 PolarHBondContact O-N 3.45Å; I273-E275 VanDerWaalsContact O-N 3.12Å
274	N	27.3	Very low	29.8	Very low	140 Å²	140	149.5 Å²	149.5	75%	0.749	77%	0.769	S	S	*	*			trans	-76.8	93.6	165.3	-100.1	-1.5	0	0	0	108.2	T272 D276	T272-N274 VanDerWaalsContact C-N 3.33Å; T272-N274 PolarHBondContact O-N 3.32Å; N274-D276 VanDerWaalsContact C-N 3.26Å; N274-D276 PolarHBondContact O-N 3.31Å
275	E	28.5	Very low	29.4	Very low	172 Å²	172	147 Å²	147	80%	0.804	77%	0.765	S	S	*	*			trans	-64.6	84	158.7	-69.5	-169.8	153.2	0	0	109.4	I273	I273-E275 VanDerWaalsContact C-N 3.35Å; I273-E275 HydrophobicContact CG2-CG 4.11Å; I273-E275 PolarHBondContact O-N 3.45Å; I273-E275 VanDerWaalsContact O-N 3.12Å
276	D	29.6	Very low	29.1	Very low	101 Å²	101	145.2 Å²	145.2	54%	0.54	76%	0.76	S	S	.	*			trans	-150.9	43.7	173.4	-105.9	-21.9	0	0	0	113.5	N274	N274-D276 VanDerWaalsContact C-N 3.26Å; N274-D276 PolarHBondContact O-N 3.31Å
277	Y	30.8	Very low	28.8	Very low	215 Å²	215	147.6 Å²	147.6	84%	0.843	76%	0.764	S	S	*	*			trans	-140.9	52.5	165.5	-70.9	-76.4	0	0	0	112.5
278	S	30.2	Very low	28.5	Very low	114 Å²	114	150.2 Å²	150.2	80%	0.797	77%	0.773	S	S	*	*	S	Bend	trans	-121.5	13.4	162.6	60.5	0	0	0	0	112.9
279	K	27.9	Very low	28.2	Very low	176 Å²	176	151 Å²	151	77%	0.765	77%	0.771	S	S	*	*			trans	-118.4	63.3	177.6	-69.4	176.4	-175.6	159.9	0	111.8
280	I	29.6	Very low	28	Very low	152 Å²	152	153 Å²	153	78%	0.779	78%	0.778	S	S	*	*			trans	-94	107.9	150.4	-65.6	178.6	0	0	0	106.2	I282	I280-I282 PolarHBondContact O-N 2.89Å
281	N	24	Very low	27.8	Very low	146 Å²	146	153 Å²	153	78%	0.781	78%	0.779	S	S	*	*			trans	-49.7	97.4	-179.1	-131.4	-6	0	0	0	110.9
282	I	30.2	Very low	28.2	Very low	141 Å²	141	146.8 Å²	146.8	72%	0.723	77%	0.768	S	S	*	*			trans	-120.1	93.3	161.5	-55.6	178	0	0	0	106	I280 H284	I280-I282 PolarHBondContact O-N 2.89Å; I282-H284 VanDerWaalsContact C-N 3.26Å; I282-H284 PolarHBondContact O-N 3.18Å
283	N	23.2	Very low	28.2	Very low	144 Å²	144	147.7 Å²	147.7	77%	0.77	77%	0.768	S	S	*	*			trans	-58.5	91.5	162.6	-82.1	-22.5	0	0	0	108.3
284	H	29.9	Very low	28	Very low	176 Å²	176	152.5 Å²	152.5	82%	0.815	78%	0.779	S	S	*	*			trans	-152.7	112.8	147.2	-98.2	-70.6	0	0	0	109.1	I282	I282-H284 VanDerWaalsContact C-N 3.26Å; I282-H284 PolarHBondContact O-N 3.18Å
285	T	27.1	Very low	28	Very low	120 Å²	120	153.4 Å²	153.4	74%	0.736	78%	0.783	S	S	*	*			trans	-44.5	143.4	174.7	46.9	0	0	0	0	114.4
286	T	27.6	Very low	28	Very low	117 Å²	117	152.3 Å²	152.3	72%	0.718	78%	0.782	S	S	*	*			trans	106.2	119.9	149.5	73.3	0	0	0	0	118.8
287	F	25.4	Very low	27.9	Very low	187 Å²	187	157.6 Å²	157.6	82%	0.82	80%	0.796	S	S	*	*			trans	75	95.1	159.6	-63.2	-75.2	0	0	0	119.7
288	L	26.8	Very low	27.6	Very low	181 Å²	181	158.3 Å²	158.3	95%	0.948	80%	0.799	S	S	*	*			trans	-151.6	102.3	134.2	-100.1	163.1	0	0	0	109.1
289	Q	25.1	Very low	27.8	Very low	179 Å²	179	160.6 Å²	160.6	84%	0.836	80%	0.797	S	S	*	*			trans	-94.4	136.4	158.6	-96.8	179.2	-51.7	0	0	107.8
290	V	30.1	Very low	27.9	Very low	141 Å²	141	160 Å²	160	86%	0.855	80%	0.797	S	S	*	*			trans	145.5	98.4	141.4	174.4	0	0	0	0	109.7
291	T	25.8	Very low	28.1	Very low	126 Å²	126	159.5 Å²	159.5	77%	0.773	80%	0.796	S	S	*	*			trans	-101.4	-174.2	151.2	52.5	0	0	0	0	107.2
292	P	34.5	Very low	28.4	Very low	96 Å²	96	159.3 Å²	159.3	62%	0.623	80%	0.795	S	S	*	*			cis	-148.6	-171.3	7.6	33.9	-8.2	0	0	0	116.2
293	N	28.4	Very low	28.6	Very low	135 Å²	135	160.6 Å²	160.6	72%	0.722	80%	0.802	S	S	*	*			trans	108.7	99.9	146.6	-64.4	-16.7	0	0	0	118.2
294	Y	26.9	Very low	28.9	Very low	243 Å²	243	161.4 Å²	161.4	95%	0.953	81%	0.806	S	S	*	*			trans	-157.3	104.8	131	-95.9	-75.5	0	0	0	109.3
295	L	26	Very low	29.1	Very low	160 Å²	160	158.6 Å²	158.6	84%	0.838	81%	0.806	S	S	*	*			trans	-145.8	111.2	171	-144.8	147.2	0	0	0	107.1
296	N	28.1	Very low	29.3	Very low	149 Å²	149	159.3 Å²	159.3	80%	0.797	81%	0.81	S	S	*	*			trans	174.1	114.8	155.5	-97.4	-12.5	0	0	0	109.4
297	Y	27.5	Very low	29.4	Very low	211 Å²	211	161.4 Å²	161.4	83%	0.827	82%	0.816	S	S	*	*				178.2	110	126.8	-110.3	-84.6	0	0	0	109.4
298	Y	25.8	Very low	29.6	Very low	230 Å²	230	158 Å²	158	90%	0.902	81%	0.813	S	S	*	*			trans	-124.6	123.9	163.7	-112.2	-78.7	0	0	0	106.6
299	E	34.1	Very low	30	Very low	162 Å²	162	156.8 Å²	156.8	76%	0.757	81%	0.806	S	S	*	*			trans	-152.9	100.8	161	-96.3	-179.3	161.9	0	0	105.1
300	Q	30.3	Very low	30.2	Very low	163 Å²	163	155.4 Å²	155.4	76%	0.762	80%	0.804	S	S	*	*				73.1	108.4	87.3	-157.6	167.3	10.3	0	0	113.5
301	N	33	Very low	30.3	Very low	142 Å²	142	157.5 Å²	157.5	76%	0.759	81%	0.805	S	S	*	*			trans	172.5	116.8	131.9	-85	-28	0	0	0	114.6
302	N	30.4	Very low	30.5	Very low	143 Å²	143	155.9 Å²	155.9	77%	0.765	80%	0.796	S	S	*	*			trans	31.6	129.6	136.9	-65.5	-21.9	0	0	0	121.3
303	I	34.8	Very low	30.2	Very low	167 Å²	167	161.5 Å²	161.5	86%	0.856	81%	0.806	S	S	*	*				-176.7	128.9	103.7	-83.6	149.7	0	0	0	109.8
304	N	29.4	Very low	30	Very low	162 Å²	162	162.1 Å²	162.1	87%	0.866	81%	0.809	S	S	*	*			trans	-73.4	135.6	173.3	-68.5	-34.4	0	0	0	111.8
305	S	33.7	Very low	29.8	Very low	117 Å²	117	160.4 Å²	160.4	82%	0.818	81%	0.81	S	S	*	*			trans	-157.3	110.2	146.4	56.8	0	0	0	0	111.1
306	T	30.7	Very low	29.8	Very low	134 Å²	134	157.3 Å²	157.3	82%	0.822	80%	0.798	S	S	*	*			trans	-72.2	136.4	169.3	43.4	0	0	0	0	112.2
307	L	30.4	Very low	29.7	Very low	161 Å²	161	155.8 Å²	155.8	84%	0.843	79%	0.793	S	S	*	*			trans	-161.7	117	151.6	-108.7	150	0	0	0	109.6
308	P	29.1	Very low	29.6	Very low	115 Å²	115	156.8 Å²	156.8	75%	0.747	80%	0.797	S	S	*	*			trans	-106.1	130.2	174.2	34.7	-23.9	0	0	0	110.8
309	I	35.3	Very low	29.6	Very low	156 Å²	156	152.5 Å²	152.5	80%	0.8	79%	0.79	S	S	*	*			trans	-142.4	125.8	161.7	-52.2	178.5	0	0	0	109.2
310	N	30.1	Very low	29.3	Very low	151 Å²	151	153.6 Å²	153.6	81%	0.807	80%	0.795	S	S	*	*			trans	-63.2	139.6	-177.3	-58.1	-42.6	0	0	0	113.7
311	E	31.9	Very low	29.1	Very low	185 Å²	185	156 Å²	156	86%	0.864	80%	0.803	S	S	*	*			trans	-144	140	131.2	-81.3	-150.4	155.1	0	0	109.9
312	P	29.7	Very low	29	Very low	91 Å²	91	156.5 Å²	156.5	59%	0.591	80%	0.801	S	S	*	*			trans	-86.8	-175.4	-178.7	19.9	-1.5	0	0	0	111.1
313	Y	27.9	Very low	29.1	Very low	214 Å²	214	157.3 Å²	157.3	84%	0.839	81%	0.805	S	S	*	*			trans	88	82.2	173	-40.6	-71.2	0	0	0	116
314	L	24.8	Very low	29.3	Very low	149 Å²	149	153.1 Å²	153.1	78%	0.78	79%	0.79	S	S	*	*				164.8	91.1	101	-152.8	78.9	0	0	0	108.1	V316	L314-V316 VanDerWaalsContact C-N 3.33Å; L314-V316 HydrophobicContact CD2-CG2 3.48Å; L314-V316 VanDerWaalsContact CD2-CG2 3.48Å; L314-V316 HydrophobicContact CG-CG2 3.74Å; L314-V316 PolarHBondContact O-N 3.36Å
315	Q	23	Very low	30.6	Very low	206 Å²	206	150.8 Å²	150.8	96%	0.963	78%	0.778	S	S	*	*			trans	-69.5	94.3	163.3	-83.7	177.3	-54.1	0	0	107.8
316	V	25.2	Very low	32.3	Very low	96 Å²	96	149.5 Å²	149.5	58%	0.582	76%	0.759	S	S	*	*			trans	-99.8	117.2	160.8	-177.7	0	0	0	0	107.2	L314 Y318	L314-V316 VanDerWaalsContact C-N 3.33Å; L314-V316 HydrophobicContact CD2-CG2 3.48Å; L314-V316 VanDerWaalsContact CD2-CG2 3.48Å; L314-V316 HydrophobicContact CG-CG2 3.74Å; L314-V316 PolarHBondContact O-N 3.36Å; V316-Y318 PolarHBondContact O-N 3.02Å
317	T	25.8	Very low	34.8	Very low	116 Å²	116	146.5 Å²	146.5	71%	0.712	74%	0.737	S	S	*	*			trans	-42.3	118.2	174.8	46.3	0	0	0	0	112.9	D319	T317-D319 PolarHBondContact O-N 2.83Å
318	Y	26.5	Very low	37.4	Very low	232 Å²	232	139.1 Å²	139.1	91%	0.91	70%	0.699	S	S	*	*	S	Bend	trans	-78	38.9	174.9	-96.7	-89.3	0	0	0	113.2	V316	V316-Y318 PolarHBondContact O-N 3.02Å
319	D	26	Very low	40.3	Very low	140 Å²	140	134 Å²	134	75%	0.749	67%	0.665	S	S	*	*			trans	-118	14.5	-171.3	-79.3	-31.2	0	0	0	115.1	T317	T317-D319 PolarHBondContact O-N 2.83Å
320	H	27.3	Very low	42.8	Very low	185 Å²	185	127.8 Å²	127.8	86%	0.856	63%	0.634	S	S	*	*	S	Bend	trans	-136.1	26.4	-176.6	-95.2	3.6	0	0	0	117.8
321	F	26.9	Very low	45.5	Very low	213 Å²	213	121 Å²	121	93%	0.934	60%	0.598	S	S	*	*			trans	-124.2	70	169.8	-106.4	-89.3	0	0	0	111.2
322	H	30.9	Very low	48	Very low	153 Å²	153	118.1 Å²	118.1	71%	0.708	58%	0.58	S	S	*	*			trans	-140.4	23.7	177.1	-123.2	-55.4	0	0	0	114.7
323	D	30.9	Very low	50.5	Low	160 Å²	160	118.6 Å²	118.6	86%	0.856	58%	0.576	S	S	*	*			trans	-129.6	73.8	-174.5	-142.6	2.3	0	0	0	112.8
324	S	40.7	Very low	53.2	Low	79 Å²	79	112.6 Å²	112.6	55%	0.552	56%	0.558	S	S	*	*			trans	178.9	67.5	144.2	38	0	0	0	0	110.6	H326	S324-H326 PolarHBondContact O-N 3.45Å
325	N	55	Low	56.1	Low	114 Å²	114	109 Å²	109	61%	0.61	54%	0.535	S	S	*	.			trans	-65.7	87	165	-81.7	-14.2	0	0	0	109	T256 L327	T256-N325 HydrophobicContact CG2-CB 4.27Å; N325-L327 PolarHBondContact O-N 3.02Å
326	H	70.5	Confident	58.8	Low	89 Å²	89	102.8 Å²	102.8	41%	0.412	50%	0.504	S	S	.	.			trans	-66.9	104.4	173.7	-164.7	65.9	0	0	0	108.9	M257 S324	M257-H326 PolarHBondContact N-O 2.84Å; S324-H326 PolarHBondContact O-N 3.45Å
327	L	83.3	Confident	61.4	Low	71 Å²	71	104.9 Å²	104.9	37%	0.372	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133.6	177.4	-67.9	171.3	0	0	0	109.6	L254 V255 T256 N325	L254-L327 HydrophobicContact CB-CB 4.3Å; L254-L327 HydrophobicContact CB-CD2 4.45Å; L254-L327 HydrophobicContact CD1-CD1 4.3Å; L254-L327 HydrophobicContact CD2-CB 4.45Å; V255-L327 WeakPolarHBondContact O-CA 3.17Å; T256-L327 HydrophobicContact CG2-CD2 3.67Å; N325-L327 PolarHBondContact O-N 3.02Å
328	I	85.6	Confident	64.3	Low	6 Å²	6	105 Å²	105	3%	0.031	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.1	176	-75.1	173.4	0	0	0	109.5	P81 L254 V255 M257 D330	P81-I328 HydrophobicContact CB-CD1 3.91Å; L254-I328 WeakPolarHBondContact CA-O 3.48Å; V255-I328 WeakPolarHBondContact CG2-O 3.32Å; V255-I328 PolarHBondContact N-O 3.12Å; V255-I328 PolarHBondContact O-N 3.37Å; M257-I328 HydrophobicContact CE-CB 3.99Å; M257-I328 HydrophobicContact CE-CD1 3.12Å; M257-I328 HydrophobicContact CE-CG1 4.05Å; M257-I328 HydrophobicContact CE-CG2 4.08Å; M257-I328 HydrophobicContact CG-CD1 3.84Å; M257-I328 HydrophobicContact CG-CG1 4.44Å; M257-I328 HydrophobicContact SD-CD1 4.29Å; I328-D330 PolarHBondContact O-N 3.29Å
329	C	89.5	Confident	66.9	Low	7 Å²	7	95.2 Å²	95.2	5%	0.047	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	109.5	171.2	-179.3	0	0	0	0	110.1	E179 D180 C186 L254	E179-C329 HydrophobicContact CB-CB 4.05Å; E179-C329 HydrophobicContact CG-CB 3.98Å; D180-C329 WeakPolarHBondContact OD1-CB 3.3Å; D180-C329 PolarHBondContact OD1-N 2.93Å; C186-C329 WeakPolarHBondContact CA-SG 3.37Å; C186-C329 HydrophobicContact CB-CB 3.6Å; C186-C329 WeakPolarHBondContact CB-SG 3.26Å; C186-C329 WeakPolarHBondContact SG-CA 3.33Å; C186-C329 WeakPolarHBondContact SG-CB 3.25Å; C186-C329 CovalentContact SG-SG 2.03Å; C186-C329 PolarHBondContact SG-SG 3.04Å; L254-C329 HydrophobicContact CD2-CB 4.41Å
330	D	86.5	Confident	69.8	Low	27 Å²	27	91.2 Å²	91.2	14%	0.144	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	174.4	175.5	-164.6	11.4	0	0	0	110.3	V252 N253 V255 I328 Y332 K336	V252-D330 WeakPolarHBondContact CA-O 3.46Å; N253-D330 PolarHBondContact N-O 2.95Å; N253-D330 PolarHBondContact O-N 2.99Å; N253-D330 VanDerWaalsContact O-N 3.16Å; N253-D330 VanDerWaalsContact O-O 3.09Å; V255-D330 HydrophobicContact CG2-CB 3.79Å; I328-D330 PolarHBondContact O-N 3.29Å; D330-Y332 PolarHBondContact O-N 3.43Å; D330-K336 IonicContact OD2-NZ 3.28Å; D330-K336 PolarHBondContact OD2-NZ 2.96Å
331	F	87	Confident	72.3	Confident	9 Å²	9	84 Å²	84	4%	0.039	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	133.9	167.1	-74.5	-82.5	0	0	0	110.4	F248 T251 V252 F340 Q341 W344	F248-F331 HydrophobicContact CE1-CZ 4.3Å; T251-F331 CarbonylContact O-C 3.56Å; T251-F331 WeakPolarHBondContact O-CA 3.33Å; V252-F331 HydrophobicContact CG1-CD1 4.07Å; V252-F331 HydrophobicContact CG1-CE1 4.13Å; V252-F331 HydrophobicContact CG1-CG 4.33Å; V252-F331 HydrophobicContact CG1-CZ 4.46Å; F331-F340 HydrophobicContact CD1-CD1 4.16Å; F331-F340 HydrophobicContact CD1-CE1 4.37Å; F331-F340 AromaticContact CE1-CD1 3.96Å; F331-F340 HydrophobicContact CE1-CD1 3.96Å; F331-F340 AromaticContact CE1-CE1 3.79Å; F331-F340 HydrophobicContact CE1-CE1 3.79Å; F331-Q341 HydrophobicContact CD2-CB 4.03Å; F331-Q341 HydrophobicContact CD2-CG 3.71Å; F331-Q341 HydrophobicContact CE2-CB 4.42Å; F331-Q341 HydrophobicContact CE2-CG 3.97Å; F331-Q341 HydrophobicContact CG-CB 4.29Å; F331-Q341 HydrophobicContact CG-CG 4.45Å; F331-W344 HydrophobicContact CZ-CB 4.42Å; F331-W344 AromaticContact CZ-CD1 3.59Å; F331-W344 HydrophobicContact CZ-CG 4.06Å
332	Y	84.8	Confident	74.8	Confident	124 Å²	124	77.1 Å²	77.1	49%	0.486	40%	0.395	S	S	.	.			trans	-56.6	142.9	173.3	-168.1	-102.4	0	0	0	109.9	T251 N253 D330 I334 Y335 K336	T251-Y332 PolarHBondContact O-N 2.93Å; N253-Y332 HydrophobicContact CB-CD2 4.46Å; D330-Y332 PolarHBondContact O-N 3.43Å; Y332-I334 HydrophobicContact CD1-CB 3.99Å; Y332-I334 HydrophobicContact CD1-CG2 3.67Å; Y332-I334 HydrophobicContact CE1-CB 4.3Å; Y332-I334 HydrophobicContact CE1-CG2 4.27Å; Y332-I334 PolarHBondContact O-N 3.36Å; Y332-Y335 PolarHBondContact O-N 2.82Å; Y332-K336 PolarHBondContact O-N 3.1Å
333	L	82.1	Confident	77.5	Confident	100 Å²	100	74.5 Å²	74.5	52%	0.524	39%	0.385	S	S	.	.	H	α-helix	trans	-51.5	-38.1	-169.1	-174.1	66.4	0	0	0	113.1	Y335 K336 Q337	L333-Y335 VanDerWaalsContact C-N 3.31Å; L333-Y335 PolarHBondContact O-N 3.13Å; L333-K336 PolarHBondContact O-N 3.39Å; L333-Q337 HydrophobicContact CD1-CG 4.18Å; L333-Q337 HydrophobicContact CG-CG 4.2Å; L333-Q337 WeakPolarHBondContact O-CB 3.45Å; L333-Q337 WeakPolarHBondContact O-CG 3.32Å; L333-Q337 PolarHBondContact O-N 3.3Å
334	I	85.7	Confident	80.1	Confident	88 Å²	88	67.3 Å²	67.3	45%	0.451	35%	0.346	S	S	.	.	H	α-helix	trans	-59.8	-38.8	178.9	-151	170.3	0	0	0	112.7	Y332 N338	Y332-I334 HydrophobicContact CD1-CB 3.99Å; Y332-I334 HydrophobicContact CD1-CG2 3.67Å; Y332-I334 HydrophobicContact CE1-CB 4.3Å; Y332-I334 HydrophobicContact CE1-CG2 4.27Å; Y332-I334 PolarHBondContact O-N 3.36Å; I334-N338 VanDerWaalsContact O-CB 3.25Å; I334-N338 WeakPolarHBondContact O-CB 3.38Å; I334-N338 PolarHBondContact O-N 3.07Å; I334-N338 PolarHBondContact O-ND2 2.79Å
335	Y	86	Confident	82.1	Confident	75 Å²	75	66.4 Å²	66.4	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-78.4	-32.1	179.3	-65.9	-71.4	0	0	0	111	F250 T251 Y332 L333 G339 F340	F250-Y335 WeakPolarHBondContact O-CE2 3.34Å; T251-Y335 HydrophobicContact CG2-CD1 4.08Å; T251-Y335 HydrophobicContact CG2-CD2 4.14Å; T251-Y335 HydrophobicContact CG2-CE1 3.94Å; T251-Y335 HydrophobicContact CG2-CE2 4.03Å; T251-Y335 HydrophobicContact CG2-CG 4.18Å; Y332-Y335 PolarHBondContact O-N 2.82Å; L333-Y335 VanDerWaalsContact C-N 3.31Å; L333-Y335 PolarHBondContact O-N 3.13Å; Y335-G339 PolarHBondContact O-N 3.02Å; Y335-F340 HydrophobicContact CD1-CB 4.23Å; Y335-F340 HydrophobicContact CD1-CD1 4.36Å; Y335-F340 HydrophobicContact CD1-CG 4.18Å; Y335-F340 VanDerWaalsContact O-CB 3.28Å; Y335-F340 WeakPolarHBondContact O-CB 3.45Å; Y335-F340 PolarHBondContact O-N 3.49Å
336	K	78	Confident	83.6	Confident	74 Å²	74	65.3 Å²	65.3	32%	0.322	32%	0.322	S	S	.	.	H	α-helix	trans	-64.9	-49.7	173.3	-168.1	162.3	-170.8	171.4	0	110.7	E83 D330 Y332 L333 G339	E83-K336 IonicContact OE1-NZ 3.22Å; E83-K336 PolarHBondContact OE1-NZ 3.21Å; D330-K336 IonicContact OD2-NZ 3.28Å; D330-K336 PolarHBondContact OD2-NZ 2.96Å; Y332-K336 PolarHBondContact O-N 3.1Å; L333-K336 PolarHBondContact O-N 3.39Å; K336-G339 PolarHBondContact O-N 3.39Å
337	Q	80.1	Confident	84.5	Confident	140 Å²	140	64.2 Å²	64.2	65%	0.654	32%	0.318	S	S	*	.	H	α-helix	trans	-66.2	-38.4	179.3	-73	179.2	-15.2	0	0	113.2	L333 G339	L333-Q337 HydrophobicContact CD1-CG 4.18Å; L333-Q337 HydrophobicContact CG-CG 4.2Å; L333-Q337 WeakPolarHBondContact O-CB 3.45Å; L333-Q337 WeakPolarHBondContact O-CG 3.32Å; L333-Q337 PolarHBondContact O-N 3.3Å; Q337-G339 PolarHBondContact O-N 2.82Å; Q337-G339 VanDerWaalsContact O-N 3.15Å
338	N	86.2	Confident	84.8	Confident	120 Å²	120	61.1 Å²	61.1	64%	0.642	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	2.3	176.9	-67.5	-11.4	0	0	0	113.6	I334 F340	I334-N338 VanDerWaalsContact O-CB 3.25Å; I334-N338 WeakPolarHBondContact O-CB 3.38Å; I334-N338 PolarHBondContact O-N 3.07Å; I334-N338 PolarHBondContact O-ND2 2.79Å; N338-F340 VanDerWaalsContact C-N 3.26Å; N338-F340 PolarHBondContact O-N 2.96Å
339	G	82.1	Confident	84.8	Confident	26 Å²	26	61 Å²	61	27%	0.268	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	6.4	178.9	0	0	0	0	0	114.9	Y335 K336 Q337 Q341 S342 I343	Y335-G339 PolarHBondContact O-N 3.02Å; K336-G339 PolarHBondContact O-N 3.39Å; Q337-G339 PolarHBondContact O-N 2.82Å; Q337-G339 VanDerWaalsContact O-N 3.15Å; G339-Q341 VanDerWaalsContact C-N 3.28Å; G339-Q341 PolarHBondContact O-N 3.1Å; G339-S342 WeakPolarHBondContact O-CB 3.44Å; G339-S342 PolarHBondContact O-N 3.14Å; G339-S342 VanDerWaalsContact O-N 3.1Å; G339-I343 PolarHBondContact O-N 3.32Å; G339-I343 VanDerWaalsContact O-N 3.15Å
340	F	87.6	Confident	84.8	Confident	55 Å²	55	63.3 Å²	63.3	24%	0.241	32%	0.316	C	S	.	.	H	α-helix	trans	-58.8	-39.2	179.7	179.2	-92.4	0	0	0	111.8	H247 T251 F331 Y335 N338 S342 I343 W344	H247-F340 AromaticContact ND1-CE1 3.74Å; H247-F340 AromaticContact ND1-CZ 3.76Å; T251-F340 HydrophobicContact CG2-CD1 4.38Å; T251-F340 HydrophobicContact CG2-CE1 3.83Å; T251-F340 HydrophobicContact CG2-CZ 4.17Å; F331-F340 HydrophobicContact CD1-CD1 4.16Å; F331-F340 HydrophobicContact CD1-CE1 4.37Å; F331-F340 AromaticContact CE1-CD1 3.96Å; F331-F340 HydrophobicContact CE1-CD1 3.96Å; F331-F340 AromaticContact CE1-CE1 3.79Å; F331-F340 HydrophobicContact CE1-CE1 3.79Å; Y335-F340 HydrophobicContact CD1-CB 4.23Å; Y335-F340 HydrophobicContact CD1-CD1 4.36Å; Y335-F340 HydrophobicContact CD1-CG 4.18Å; Y335-F340 VanDerWaalsContact O-CB 3.28Å; Y335-F340 WeakPolarHBondContact O-CB 3.45Å; Y335-F340 PolarHBondContact O-N 3.49Å; N338-F340 VanDerWaalsContact C-N 3.26Å; N338-F340 PolarHBondContact O-N 2.96Å; F340-S342 VanDerWaalsContact C-N 3.3Å; F340-S342 PolarHBondContact O-N 2.82Å; F340-I343 PolarHBondContact O-N 3.2Å; F340-W344 HydrophobicContact CD1-CB 4.43Å; F340-W344 HydrophobicContact CE1-CB 4.11Å; F340-W344 HydrophobicContact CE1-CG 4.46Å; F340-W344 HydrophobicContact CZ-CE3 4.28Å; F340-W344 VanDerWaalsContact O-CB 3.32Å; F340-W344 WeakPolarHBondContact O-CB 3.18Å; F340-W344 PolarHBondContact O-N 2.86Å
341	Q	79.5	Confident	85.1	Confident	33 Å²	33	63.7 Å²	63.7	15%	0.154	32%	0.317	C	S	.	.	H	α-helix	trans	-56.8	-44	176	-179.5	179	12.5	0	0	111.8	F331 G339 W344 I345	F331-Q341 HydrophobicContact CD2-CB 4.03Å; F331-Q341 HydrophobicContact CD2-CG 3.71Å; F331-Q341 HydrophobicContact CE2-CB 4.42Å; F331-Q341 HydrophobicContact CE2-CG 3.97Å; F331-Q341 HydrophobicContact CG-CB 4.29Å; F331-Q341 HydrophobicContact CG-CG 4.45Å; G339-Q341 VanDerWaalsContact C-N 3.28Å; G339-Q341 PolarHBondContact O-N 3.1Å; Q341-W344 PolarHBondContact O-N 3.13Å; Q341-I345 HydrophobicContact CG-CD1 4.26Å; Q341-I345 WeakPolarHBondContact O-CD1 3.46Å; Q341-I345 VanDerWaalsContact O-CG1 3.28Å; Q341-I345 WeakPolarHBondContact O-CG1 3.48Å; Q341-I345 PolarHBondContact O-N 3.15Å
342	S	79.3	Confident	85.2	Confident	70 Å²	70	63.4 Å²	63.4	49%	0.49	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-44.8	178.7	-171.9	0	0	0	0	111.2	G339 F340 I345 W346	G339-S342 WeakPolarHBondContact O-CB 3.44Å; G339-S342 PolarHBondContact O-N 3.14Å; G339-S342 VanDerWaalsContact O-N 3.1Å; F340-S342 VanDerWaalsContact C-N 3.3Å; F340-S342 PolarHBondContact O-N 2.82Å; S342-I345 PolarHBondContact O-N 3.04Å; S342-W346 VanDerWaalsContact O-CD1 3.27Å
343	I	86.8	Confident	85.3	Confident	97 Å²	97	57.5 Å²	57.5	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-45.2	176.5	-64.5	167.5	0	0	0	110.6	G339 F340 I345 W346 I347	G339-I343 PolarHBondContact O-N 3.32Å; G339-I343 VanDerWaalsContact O-N 3.15Å; F340-I343 PolarHBondContact O-N 3.2Å; I343-I345 VanDerWaalsContact C-N 3.33Å; I343-I345 PolarHBondContact O-N 2.95Å; I343-W346 WeakPolarHBondContact O-CB 3.09Å; I343-W346 PolarHBondContact O-N 3.34Å; I343-W346 VanDerWaalsContact O-N 3.14Å; I343-I347 HydrophobicContact CG2-CD1 3.79Å; I343-I347 HydrophobicContact CG2-CG1 4.37Å; I343-I347 WeakPolarHBondContact O-CG1 3.31Å; I343-I347 PolarHBondContact O-N 3.17Å
344	W	87	Confident	85.6	Confident	10 Å²	10	54.6 Å²	54.6	4%	0.038	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-39.1	-179.3	-179.5	-104.3	0	0	0	112.4	V194 I244 H247 F248 F331 F340 Q341 W346 I347 D348	V194-W344 HydrophobicContact CG1-CZ2 4.44Å; I244-W344 HydrophobicContact CG2-CH2 4.01Å; I244-W344 HydrophobicContact CG2-CZ3 4.46Å; H247-W344 AromaticContact CD2-CH2 3.59Å; H247-W344 AromaticContact CD2-CZ3 3.69Å; H247-W344 AromaticContact CE1-CD2 3.72Å; H247-W344 AromaticContact CE1-CE2 3.65Å; H247-W344 AromaticContact CE1-CE3 3.88Å; H247-W344 AromaticContact CE1-CH2 3.96Å; H247-W344 AromaticContact CE1-CZ2 3.81Å; H247-W344 AromaticContact CE1-CZ3 3.99Å; H247-W344 AromaticContact NE2-CD2 3.76Å; H247-W344 AromaticContact NE2-CE2 3.42Å; H247-W344 AromaticContact NE2-CE3 3.71Å; H247-W344 AromaticContact NE2-CH2 3.03Å; H247-W344 WeakPolarHBondContact NE2-CH2 2.99Å; H247-W344 AromaticContact NE2-CZ2 3.08Å; H247-W344 WeakPolarHBondContact NE2-CZ2 3.28Å; H247-W344 AromaticContact NE2-CZ3 3.36Å; H247-W344 WeakPolarHBondContact NE2-CZ3 3.23Å; F248-W344 HydrophobicContact CE1-CZ2 4.48Å; F248-W344 AromaticContact CE1-NE1 3.92Å; F248-W344 AromaticContact CE2-CZ2 3.75Å; F248-W344 HydrophobicContact CE2-CZ2 3.75Å; F248-W344 AromaticContact CZ-CE2 3.66Å; F248-W344 AromaticContact CZ-CZ2 3.51Å; F248-W344 HydrophobicContact CZ-CZ2 3.51Å; F248-W344 AromaticContact CZ-NE1 3.5Å; F331-W344 HydrophobicContact CZ-CB 4.42Å; F331-W344 AromaticContact CZ-CD1 3.59Å; F331-W344 HydrophobicContact CZ-CG 4.06Å; F340-W344 HydrophobicContact CD1-CB 4.43Å; F340-W344 HydrophobicContact CE1-CB 4.11Å; F340-W344 HydrophobicContact CE1-CG 4.46Å; F340-W344 HydrophobicContact CZ-CE3 4.28Å; F340-W344 VanDerWaalsContact O-CB 3.32Å; F340-W344 WeakPolarHBondContact O-CB 3.18Å; F340-W344 PolarHBondContact O-N 2.86Å; Q341-W344 PolarHBondContact O-N 3.13Å; W344-W346 VanDerWaalsContact C-N 3.27Å; W344-W346 PolarHBondContact O-N 3.07Å; W344-I347 HydrophobicContact CE3-CB 4.37Å; W344-I347 HydrophobicContact CE3-CD1 4.48Å; W344-I347 HydrophobicContact CE3-CG2 4.25Å; W344-I347 HydrophobicContact CZ3-CG2 4.06Å; W344-I347 PolarHBondContact O-N 2.97Å; W344-D348 WeakPolarHBondContact O-CB 3.42Å; W344-D348 PolarHBondContact O-N 3.42Å
345	I	82.8	Confident	85.9	Confident	60 Å²	60	53.8 Å²	53.8	31%	0.308	27%	0.272	S	S	.	.	H	α-helix	trans	-57.6	-41.9	175.7	-70.5	162.7	0	0	0	111.1	Q341 S342 I343 A349	Q341-I345 HydrophobicContact CG-CD1 4.26Å; Q341-I345 WeakPolarHBondContact O-CD1 3.46Å; Q341-I345 VanDerWaalsContact O-CG1 3.28Å; Q341-I345 WeakPolarHBondContact O-CG1 3.48Å; Q341-I345 PolarHBondContact O-N 3.15Å; S342-I345 PolarHBondContact O-N 3.04Å; I343-I345 VanDerWaalsContact C-N 3.33Å; I343-I345 PolarHBondContact O-N 2.95Å; I345-A349 VanDerWaalsContact O-CB 3.31Å; I345-A349 WeakPolarHBondContact O-CB 3.19Å; I345-A349 PolarHBondContact O-N 3.22Å
346	W	85.3	Confident	86.3	Confident	91 Å²	91	50.2 Å²	50.2	35%	0.345	26%	0.258	S	S	.	.	H	α-helix	trans	-69.7	-39	176.8	-76.2	105.2	0	0	0	112.9	S342 I343 W344 T350 Y354 A555 W556	S342-W346 VanDerWaalsContact O-CD1 3.27Å; I343-W346 WeakPolarHBondContact O-CB 3.09Å; I343-W346 PolarHBondContact O-N 3.34Å; I343-W346 VanDerWaalsContact O-N 3.14Å; W344-W346 VanDerWaalsContact C-N 3.27Å; W344-W346 PolarHBondContact O-N 3.07Å; W346-T350 WeakPolarHBondContact O-CB 3.49Å; W346-T350 PolarHBondContact O-N 3.25Å; W346-T350 PolarHBondContact O-OG1 3.04Å; W346-Y354 HydrophobicContact CE3-CE2 4.27Å; W346-Y354 HydrophobicContact CZ3-CE2 4.22Å; W346-A555 HydrophobicContact CD2-CB 4.24Å; W346-A555 HydrophobicContact CE3-CB 4.41Å; W346-A555 HydrophobicContact CH2-CB 3.45Å; W346-A555 VanDerWaalsContact CH2-CB 3.45Å; W346-A555 HydrophobicContact CZ2-CB 3.26Å; W346-A555 HydrophobicContact CZ3-CB 4.04Å; W346-W556 AromaticContact CH2-CD1 3.51Å; W346-W556 AromaticContact CH2-NE1 3.81Å
347	I	90.3	Very high	86.9	Confident	65 Å²	65	49.5 Å²	49.5	33%	0.333	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-50.5	174.7	-66.9	171.6	0	0	0	110	I343 W344 A349 T350 L351	I343-I347 HydrophobicContact CG2-CD1 3.79Å; I343-I347 HydrophobicContact CG2-CG1 4.37Å; I343-I347 WeakPolarHBondContact O-CG1 3.31Å; I343-I347 PolarHBondContact O-N 3.17Å; W344-I347 HydrophobicContact CE3-CB 4.37Å; W344-I347 HydrophobicContact CE3-CD1 4.48Å; W344-I347 HydrophobicContact CE3-CG2 4.25Å; W344-I347 HydrophobicContact CZ3-CG2 4.06Å; W344-I347 PolarHBondContact O-N 2.97Å; I347-A349 VanDerWaalsContact C-N 3.35Å; I347-A349 PolarHBondContact O-N 3.17Å; I347-T350 PolarHBondContact O-N 3.37Å; I347-T350 VanDerWaalsContact O-N 3.13Å; I347-L351 HydrophobicContact CG2-CD1 3.76Å; I347-L351 HydrophobicContact CG2-CG 4.34Å; I347-L351 WeakPolarHBondContact O-CG 3.35Å; I347-L351 PolarHBondContact O-N 3.27Å
348	D	88.3	Confident	87.5	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-57.7	-47	178.2	-177.5	57.8	0	0	0	111	M1 Y198 W344 T350 L351 Y352 K551	M1-D348 PolarHBondContact N-OD2 3.18Å; Y198-D348 WeakPolarHBondContact CE1-OD1 3.35Å; Y198-D348 WeakPolarHBondContact OH-CA 3.47Å; Y198-D348 PolarHBondContact OH-OD1 2.79Å; W344-D348 WeakPolarHBondContact O-CB 3.42Å; W344-D348 PolarHBondContact O-N 3.42Å; D348-T350 VanDerWaalsContact C-N 3.33Å; D348-T350 PolarHBondContact O-N 2.82Å; D348-L351 PolarHBondContact O-N 2.92Å; D348-Y352 WeakPolarHBondContact O-CB 3.36Å; D348-Y352 PolarHBondContact O-N 2.7Å; D348-K551 IonicContact OD2-NZ 2.83Å; D348-K551 PolarHBondContact OD2-NZ 3.08Å
349	A	85.5	Confident	87.9	Confident	2 Å²	2	43.4 Å²	43.4	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-39.3	176.9	0	0	0	0	0	112.4	I345 I347 S353 Y354 K551	I345-A349 VanDerWaalsContact O-CB 3.31Å; I345-A349 WeakPolarHBondContact O-CB 3.19Å; I345-A349 PolarHBondContact O-N 3.22Å; I347-A349 VanDerWaalsContact C-N 3.35Å; I347-A349 PolarHBondContact O-N 3.17Å; A349-S353 WeakPolarHBondContact O-CA 3.03Å; A349-S353 WeakPolarHBondContact O-CB 3.5Å; A349-S353 PolarHBondContact O-N 2.86Å; A349-S353 PolarHBondContact O-OG 3.43Å; A349-Y354 HydrophobicContact CB-CD2 4.34Å; A349-Y354 HydrophobicContact CB-CE2 3.62Å; A349-Y354 PolarHBondContact O-N 3.32Å; A349-K551 HydrophobicContact CB-CD 4.34Å
350	T	90.2	Very high	88.5	Confident	56 Å²	56	42.2 Å²	42.2	34%	0.344	21%	0.213	S	C	.	.	I	π-helix	trans	-67.4	-47.4	179.1	-58.4	0	0	0	0	112	W346 I347 D348 Y354 L355	W346-T350 WeakPolarHBondContact O-CB 3.49Å; W346-T350 PolarHBondContact O-N 3.25Å; W346-T350 PolarHBondContact O-OG1 3.04Å; I347-T350 PolarHBondContact O-N 3.37Å; I347-T350 VanDerWaalsContact O-N 3.13Å; D348-T350 VanDerWaalsContact C-N 3.33Å; D348-T350 PolarHBondContact O-N 2.82Å; T350-Y354 PolarHBondContact O-N 3.3Å; T350-L355 HydrophobicContact CG2-CB 4.41Å; T350-L355 WeakPolarHBondContact O-CB 3.43Å; T350-L355 PolarHBondContact O-N 3Å
351	L	92.5	Very high	88.7	Confident	35 Å²	35	43.2 Å²	43.2	18%	0.183	22%	0.22	C	C	.	.	I	π-helix	trans	-74.5	-35.7	-176.4	-69.1	177.7	0	0	0	113.2	Y198 W202 I244 I347 D348 P356	Y198-L351 HydrophobicContact CE1-CB 4.14Å; Y198-L351 HydrophobicContact CE2-CD1 4.28Å; W202-L351 HydrophobicContact CZ2-CD2 4.49Å; W202-L351 PolarHBondContact NE1-O 2.91Å; I244-L351 HydrophobicContact CD1-CD1 4.04Å; I244-L351 HydrophobicContact CG2-CD1 3.9Å; I347-L351 HydrophobicContact CG2-CD1 3.76Å; I347-L351 HydrophobicContact CG2-CG 4.34Å; I347-L351 WeakPolarHBondContact O-CG 3.35Å; I347-L351 PolarHBondContact O-N 3.27Å; D348-L351 PolarHBondContact O-N 2.92Å; L351-P356 VanDerWaalsContact O-CG 3.31Å; L351-P356 WeakPolarHBondContact O-CG 3.32Å
352	Y	89.4	Confident	89.4	Confident	3 Å²	3	46 Å²	46	1%	0.012	24%	0.236	C	C	.	.	I	π-helix	trans	-79.7	-37.1	178.8	-171.4	-109.3	0	0	0	112.5	Y198 V201 D348 M582	Y198-Y352 HydrophobicContact CD1-CD2 4.25Å; Y198-Y352 HydrophobicContact CE1-CD2 4.45Å; V201-Y352 HydrophobicContact CG2-CD2 3.89Å; V201-Y352 HydrophobicContact CG2-CE2 3.6Å; D348-Y352 WeakPolarHBondContact O-CB 3.36Å; D348-Y352 PolarHBondContact O-N 2.7Å; Y352-M582 HydrophobicContact CE1-SD 3.84Å; Y352-M582 VanDerWaalsContact OH-CG 3.26Å; Y352-M582 WeakPolarHBondContact OH-CG 3.48Å; Y352-M582 PolarHBondContact OH-SD 3.08Å
353	S	86.2	Confident	90.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	22%	0.216	C	C	.	.	I	π-helix	trans	-127.1	-62.5	-166.3	41.3	0	0	0	0	115.2	A349 L355 F357	A349-S353 WeakPolarHBondContact O-CA 3.03Å; A349-S353 WeakPolarHBondContact O-CB 3.5Å; A349-S353 PolarHBondContact O-N 2.86Å; A349-S353 PolarHBondContact O-OG 3.43Å; S353-L355 PolarHBondContact O-N 2.9Å; S353-F357 WeakPolarHBondContact O-CB 3.33Å; S353-F357 PolarHBondContact O-N 3.47Å
354	Y	88.7	Confident	90.4	Very high	38 Å²	38	39 Å²	39	15%	0.149	19%	0.194	C	C	.	.	I	π-helix	trans	-62.9	-49.9	-166.2	-52.8	-34.1	0	0	0	112.9	W346 A349 T350 I358 V548 L552	W346-Y354 HydrophobicContact CE3-CE2 4.27Å; W346-Y354 HydrophobicContact CZ3-CE2 4.22Å; A349-Y354 HydrophobicContact CB-CD2 4.34Å; A349-Y354 HydrophobicContact CB-CE2 3.62Å; A349-Y354 PolarHBondContact O-N 3.32Å; T350-Y354 PolarHBondContact O-N 3.3Å; Y354-I358 WeakPolarHBondContact O-CD1 3.4Å; Y354-I358 VanDerWaalsContact O-CG1 3.3Å; Y354-I358 WeakPolarHBondContact O-CG1 3.31Å; Y354-I358 PolarHBondContact O-N 3.37Å; Y354-V548 HydrophobicContact CD1-CG1 3.48Å; Y354-V548 VanDerWaalsContact CD1-CG1 3.48Å; Y354-V548 HydrophobicContact CE1-CG1 3.39Å; Y354-L552 HydrophobicContact CE1-CB 4.43Å; Y354-L552 HydrophobicContact CE1-CD1 4.37Å; Y354-L552 WeakPolarHBondContact OH-CA 3.39Å; Y354-L552 PolarHBondContact OH-N 2.92Å
355	L	93.2	Very high	90.6	Very high	71 Å²	71	42.5 Å²	42.5	37%	0.372	21%	0.213	S	C	.	.	H	α-helix	trans	-70.4	-48.6	-177	-178.9	63.8	0	0	0	112.3	W202 T350 S353 F357 I358 I359	W202-L355 HydrophobicContact CH2-CD2 3.57Å; W202-L355 HydrophobicContact CH2-CG 3.97Å; W202-L355 HydrophobicContact CZ2-CD2 3.9Å; W202-L355 HydrophobicContact CZ2-CG 4.33Å; T350-L355 HydrophobicContact CG2-CB 4.41Å; T350-L355 WeakPolarHBondContact O-CB 3.43Å; T350-L355 PolarHBondContact O-N 3Å; S353-L355 PolarHBondContact O-N 2.9Å; L355-F357 VanDerWaalsContact C-N 3.31Å; L355-F357 PolarHBondContact O-N 2.91Å; L355-I358 PolarHBondContact O-N 3.25Å; L355-I359 HydrophobicContact CD1-CD1 3.8Å; L355-I359 HydrophobicContact CD1-CG1 4.17Å; L355-I359 HydrophobicContact CG-CD1 3.79Å; L355-I359 WeakPolarHBondContact O-CG1 3.42Å; L355-I359 PolarHBondContact O-N 3.34Å
356	P	93.6	Very high	91.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.5	-42.7	172.7	-28.4	36.6	0	0	0	113.6	V201 W202 V205 L351 I358 I359 I360 F540	V201-P356 HydrophobicContact CG1-CB 3.38Å; V201-P356 HydrophobicContact CG1-CG 3.42Å; V201-P356 VanDerWaalsContact CG1-CG 3.42Å; W202-P356 HydrophobicContact CZ2-CG 4.2Å; V205-P356 HydrophobicContact CG2-CB 3.79Å; V205-P356 HydrophobicContact CG2-CG 4.42Å; L351-P356 VanDerWaalsContact O-CG 3.31Å; L351-P356 WeakPolarHBondContact O-CG 3.32Å; P356-I358 PolarHBondContact O-N 2.94Å; P356-I359 PolarHBondContact O-N 3.36Å; P356-I360 HydrophobicContact CB-CD1 4.5Å; P356-I360 VanDerWaalsContact O-CB 3.28Å; P356-I360 WeakPolarHBondContact O-CB 3.41Å; P356-I360 WeakPolarHBondContact O-CD1 3.45Å; P356-I360 WeakPolarHBondContact O-CG1 3.44Å; P356-I360 PolarHBondContact O-N 2.65Å; P356-F540 HydrophobicContact CB-CE1 4.44Å
357	F	91.2	Very high	91.4	Very high	60 Å²	60	38.6 Å²	38.6	26%	0.263	20%	0.199	S	C	.	.	H	α-helix	trans	-59	-48.9	179.7	-172.8	-79.5	0	0	0	111.5	S353 L355 L361 L541 A545	S353-F357 WeakPolarHBondContact O-CB 3.33Å; S353-F357 PolarHBondContact O-N 3.47Å; L355-F357 VanDerWaalsContact C-N 3.31Å; L355-F357 PolarHBondContact O-N 2.91Å; F357-L361 HydrophobicContact CE1-CD2 4.26Å; F357-L361 VanDerWaalsContact O-CB 3.25Å; F357-L361 WeakPolarHBondContact O-CB 3.49Å; F357-L361 PolarHBondContact O-N 2.79Å; F357-L541 HydrophobicContact CB-CD2 4.09Å; F357-L541 HydrophobicContact CD1-CD2 4.23Å; F357-L541 HydrophobicContact CD2-CB 4.4Å; F357-L541 HydrophobicContact CD2-CD2 3.26Å; F357-L541 HydrophobicContact CD2-CG 4.4Å; F357-L541 HydrophobicContact CE1-CD2 4.5Å; F357-L541 HydrophobicContact CE2-CB 4.01Å; F357-L541 HydrophobicContact CE2-CD2 3.59Å; F357-L541 HydrophobicContact CE2-CG 4.35Å; F357-L541 HydrophobicContact CG-CD2 3.6Å; F357-L541 HydrophobicContact CZ-CD2 4.21Å; F357-A545 HydrophobicContact CE2-CB 4.29Å
358	I	92	Very high	91.4	Very high	91 Å²	91	39.9 Å²	39.9	47%	0.467	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-47.6	179.6	-66.4	165	0	0	0	110.9	Y354 L355 P356 I360 L361 I362	Y354-I358 WeakPolarHBondContact O-CD1 3.4Å; Y354-I358 VanDerWaalsContact O-CG1 3.3Å; Y354-I358 WeakPolarHBondContact O-CG1 3.31Å; Y354-I358 PolarHBondContact O-N 3.37Å; L355-I358 PolarHBondContact O-N 3.25Å; P356-I358 PolarHBondContact O-N 2.94Å; I358-I360 PolarHBondContact O-N 3.23Å; I358-L361 PolarHBondContact O-N 3.39Å; I358-I362 HydrophobicContact CG2-CD1 3.74Å; I358-I362 WeakPolarHBondContact O-CG1 3.26Å; I358-I362 PolarHBondContact O-N 3.42Å
359	I	95.5	Very high	91.5	Very high	41 Å²	41	43.3 Å²	43.3	21%	0.21	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-45.8	-177.9	-65	168.4	0	0	0	110.9	W202 V205 I209 L355 P356 S363	W202-I359 HydrophobicContact CH2-CD1 4.33Å; W202-I359 HydrophobicContact CZ3-CD1 4.31Å; V205-I359 HydrophobicContact CG1-CB 4.34Å; V205-I359 HydrophobicContact CG1-CD1 4.24Å; V205-I359 HydrophobicContact CG1-CG2 3.71Å; I209-I359 HydrophobicContact CD1-CG2 4.04Å; I209-I359 HydrophobicContact CG1-CG2 4.15Å; L355-I359 HydrophobicContact CD1-CD1 3.8Å; L355-I359 HydrophobicContact CD1-CG1 4.17Å; L355-I359 HydrophobicContact CG-CD1 3.79Å; L355-I359 WeakPolarHBondContact O-CG1 3.42Å; L355-I359 PolarHBondContact O-N 3.34Å; P356-I359 PolarHBondContact O-N 3.36Å; I359-S363 WeakPolarHBondContact O-CB 3.01Å; I359-S363 PolarHBondContact O-N 3.06Å; I359-S363 PolarHBondContact O-OG 3.37Å
360	I	94	Very high	91.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.5	-42.3	-179.4	-70	168.7	0	0	0	110.6	I204 V205 P356 I358 S363 N364 F540 L541	I204-I360 HydrophobicContact CB-CD1 4.42Å; I204-I360 HydrophobicContact CG2-CD1 3.8Å; V205-I360 HydrophobicContact CG2-CD1 3.97Å; V205-I360 HydrophobicContact CG2-CG1 4.04Å; P356-I360 HydrophobicContact CB-CD1 4.5Å; P356-I360 VanDerWaalsContact O-CB 3.28Å; P356-I360 WeakPolarHBondContact O-CB 3.41Å; P356-I360 WeakPolarHBondContact O-CD1 3.45Å; P356-I360 WeakPolarHBondContact O-CG1 3.44Å; P356-I360 PolarHBondContact O-N 2.65Å; I358-I360 PolarHBondContact O-N 3.23Å; I360-S363 PolarHBondContact O-N 3.18Å; I360-N364 VanDerWaalsContact CG2-ND2 3.35Å; I360-N364 WeakPolarHBondContact CG2-ND2 3.43Å; I360-N364 WeakPolarHBondContact O-CB 3.24Å; I360-N364 PolarHBondContact O-N 2.98Å; I360-N364 PolarHBondContact O-ND2 2.97Å; I360-N364 VanDerWaalsContact O-ND2 3.15Å; I360-F540 HydrophobicContact CD1-CD1 3.65Å; I360-F540 HydrophobicContact CD1-CE1 3.81Å; I360-L541 HydrophobicContact CB-CD2 4.25Å; I360-L541 HydrophobicContact CG2-CD1 3.96Å; I360-L541 HydrophobicContact CG2-CD2 4.15Å; I360-L541 HydrophobicContact CG2-CG 4.02Å
361	L	92	Very high	91.4	Very high	77 Å²	77	44.9 Å²	44.9	40%	0.403	23%	0.229	S	C	.	.	H	α-helix	trans	-60.4	-51.8	178.1	-178.2	65.7	0	0	0	111.4	F357 I358 S363 N364 I365 L541	F357-L361 HydrophobicContact CE1-CD2 4.26Å; F357-L361 VanDerWaalsContact O-CB 3.25Å; F357-L361 WeakPolarHBondContact O-CB 3.49Å; F357-L361 PolarHBondContact O-N 2.79Å; I358-L361 PolarHBondContact O-N 3.39Å; L361-S363 PolarHBondContact O-N 3.34Å; L361-N364 PolarHBondContact O-N 3.43Å; L361-I365 HydrophobicContact CD1-CD1 4.36Å; L361-I365 HydrophobicContact CG-CD1 4.18Å; L361-I365 VanDerWaalsContact O-CG1 3.31Å; L361-I365 WeakPolarHBondContact O-CG1 3.28Å; L361-I365 PolarHBondContact O-N 2.63Å; L361-I365 VanDerWaalsContact O-N 3.1Å; L361-L541 HydrophobicContact CB-CD1 4.48Å; L361-L541 HydrophobicContact CD1-CD1 4.43Å
362	I	94.2	Very high	91.2	Very high	92 Å²	92	50 Å²	50	47%	0.472	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-46.2	178.9	-66.1	170.2	0	0	0	110.4	I358 N364 I365 L366	I358-I362 HydrophobicContact CG2-CD1 3.74Å; I358-I362 WeakPolarHBondContact O-CG1 3.26Å; I358-I362 PolarHBondContact O-N 3.42Å; I362-N364 PolarHBondContact O-N 2.89Å; I362-I365 PolarHBondContact O-N 3.44Å; I362-L366 HydrophobicContact CG2-CD1 4.11Å; I362-L366 HydrophobicContact CG2-CG 4.45Å; I362-L366 WeakPolarHBondContact O-CG 3.35Å; I362-L366 PolarHBondContact O-N 3.04Å
363	S	94.1	Very high	91.1	Very high	11 Å²	11	56.8 Å²	56.8	8%	0.077	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-43.9	-179.8	-61.3	0	0	0	0	111.9	I359 I360 L361 I365 L366 I367	I359-S363 WeakPolarHBondContact O-CB 3.01Å; I359-S363 PolarHBondContact O-N 3.06Å; I359-S363 PolarHBondContact O-OG 3.37Å; I360-S363 PolarHBondContact O-N 3.18Å; L361-S363 PolarHBondContact O-N 3.34Å; S363-I365 PolarHBondContact O-N 3.3Å; S363-L366 PolarHBondContact O-N 2.96Å; S363-I367 WeakPolarHBondContact O-CB 3.13Å; S363-I367 VanDerWaalsContact O-CG1 3.24Å; S363-I367 WeakPolarHBondContact O-CG1 3.35Å; S363-I367 PolarHBondContact O-N 2.79Å
364	N	91.6	Very high	90.7	Very high	9 Å²	9	59.5 Å²	59.5	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-37.6	177.5	-76.9	-35.7	0	0	0	112.9	I360 L361 I362 I367 L368 S537	I360-N364 VanDerWaalsContact CG2-ND2 3.35Å; I360-N364 WeakPolarHBondContact CG2-ND2 3.43Å; I360-N364 WeakPolarHBondContact O-CB 3.24Å; I360-N364 PolarHBondContact O-N 2.98Å; I360-N364 PolarHBondContact O-ND2 2.97Å; I360-N364 VanDerWaalsContact O-ND2 3.15Å; L361-N364 PolarHBondContact O-N 3.43Å; I362-N364 PolarHBondContact O-N 2.89Å; N364-I367 PolarHBondContact O-N 3.47Å; N364-L368 WeakPolarHBondContact O-CB 3.33Å; N364-L368 WeakPolarHBondContact O-CG 3.45Å; N364-L368 PolarHBondContact O-N 2.91Å; N364-S537 WeakPolarHBondContact ND2-CB 3.05Å
365	I	92.7	Very high	90.4	Very high	82 Å²	82	61.6 Å²	61.6	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-46.3	173.4	-68	165.6	0	0	0	110	L361 I362 S363 I367 L368 I369	L361-I365 HydrophobicContact CD1-CD1 4.36Å; L361-I365 HydrophobicContact CG-CD1 4.18Å; L361-I365 VanDerWaalsContact O-CG1 3.31Å; L361-I365 WeakPolarHBondContact O-CG1 3.28Å; L361-I365 PolarHBondContact O-N 2.63Å; L361-I365 VanDerWaalsContact O-N 3.1Å; I362-I365 PolarHBondContact O-N 3.44Å; S363-I365 PolarHBondContact O-N 3.3Å; I365-I367 PolarHBondContact O-N 3.41Å; I365-L368 PolarHBondContact O-N 2.95Å; I365-I369 HydrophobicContact CG2-CD1 3.72Å; I365-I369 HydrophobicContact CG2-CG1 4.44Å; I365-I369 VanDerWaalsContact O-CG1 3.31Å; I365-I369 WeakPolarHBondContact O-CG1 3.45Å; I365-I369 PolarHBondContact O-N 3.32Å
366	L	93	Very high	89.9	Confident	66 Å²	66	63.3 Å²	63.3	35%	0.346	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-41.9	177.1	-68.8	175.7	0	0	0	112.2	T212 I362 S363 I369 N370	T212-L366 HydrophobicContact CG2-CB 4.12Å; T212-L366 HydrophobicContact CG2-CD1 4.21Å; I362-L366 HydrophobicContact CG2-CD1 4.11Å; I362-L366 HydrophobicContact CG2-CG 4.45Å; I362-L366 WeakPolarHBondContact O-CG 3.35Å; I362-L366 PolarHBondContact O-N 3.04Å; S363-L366 PolarHBondContact O-N 2.96Å; L366-I369 PolarHBondContact O-N 3.26Å; L366-N370 WeakPolarHBondContact O-CB 3.46Å; L366-N370 PolarHBondContact O-N 3.15Å; L366-N370 PolarHBondContact O-ND2 3.14Å
367	I	90.7	Very high	89.3	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-58.4	-48.8	175.2	-73	168.6	0	0	0	110.2	R211 T212 I215 S363 N364 I365 N370 L371 T530 M534	R211-I367 HydrophobicContact CB-CD1 4.11Å; T212-I367 WeakPolarHBondContact OG1-CG1 3.43Å; I215-I367 HydrophobicContact CD1-CB 4.41Å; I215-I367 HydrophobicContact CD1-CG1 4.17Å; I215-I367 HydrophobicContact CD1-CG2 3.76Å; S363-I367 WeakPolarHBondContact O-CB 3.13Å; S363-I367 VanDerWaalsContact O-CG1 3.24Å; S363-I367 WeakPolarHBondContact O-CG1 3.35Å; S363-I367 PolarHBondContact O-N 2.79Å; N364-I367 PolarHBondContact O-N 3.47Å; I365-I367 PolarHBondContact O-N 3.41Å; I367-N370 PolarHBondContact O-N 3.1Å; I367-L371 WeakPolarHBondContact O-CB 3.36Å; I367-L371 PolarHBondContact O-N 3.45Å; I367-T530 HydrophobicContact CG2-CG2 3.56Å; I367-M534 HydrophobicContact CG2-CG 3.96Å; I367-M534 HydrophobicContact CG2-SD 3.66Å
368	L	90.1	Very high	88.6	Confident	92 Å²	92	72.2 Å²	72.2	48%	0.482	35%	0.353	S	S	.	.	H	α-helix	trans	-59.6	-49.9	179.3	-83.6	167.9	0	0	0	112.4	N364 I365 L371 Y372 M534	N364-L368 WeakPolarHBondContact O-CB 3.33Å; N364-L368 WeakPolarHBondContact O-CG 3.45Å; N364-L368 PolarHBondContact O-N 2.91Å; I365-L368 PolarHBondContact O-N 2.95Å; L368-L371 PolarHBondContact O-N 2.92Å; L368-Y372 WeakPolarHBondContact O-CB 3.12Å; L368-Y372 PolarHBondContact O-N 2.91Å; L368-M534 HydrophobicContact CD1-CE 4.11Å; L368-M534 HydrophobicContact CD2-CE 3.35Å; L368-M534 HydrophobicContact CD2-SD 4.41Å; L368-M534 HydrophobicContact CG-CE 3.55Å
369	I	91.2	Very high	87.8	Confident	78 Å²	78	74.2 Å²	74.2	40%	0.4	36%	0.359	S	S	.	.	H	α-helix	trans	-59.5	-51	-180	-70.4	169.8	0	0	0	110.1	I365 L366 L371 Y372 W373	I365-I369 HydrophobicContact CG2-CD1 3.72Å; I365-I369 HydrophobicContact CG2-CG1 4.44Å; I365-I369 VanDerWaalsContact O-CG1 3.31Å; I365-I369 WeakPolarHBondContact O-CG1 3.45Å; I365-I369 PolarHBondContact O-N 3.32Å; L366-I369 PolarHBondContact O-N 3.26Å; I369-L371 PolarHBondContact O-N 3.07Å; I369-Y372 WeakPolarHBondContact O-CB 3.38Å; I369-Y372 PolarHBondContact O-N 3.38Å; I369-W373 PolarHBondContact O-N 2.84Å
370	N	88.3	Confident	87	Confident	47 Å²	47	78.5 Å²	78.5	25%	0.251	38%	0.377	S	S	.	.	H	α-helix	trans	-68.1	-35.7	-178.1	-75.8	-74.6	0	0	0	112.4	I215 I216 L366 I367 Y372 W373 A374	I215-N370 HydrophobicContact CG2-CB 3.52Å; I216-N370 WeakPolarHBondContact CG1-ND2 3.32Å; L366-N370 WeakPolarHBondContact O-CB 3.46Å; L366-N370 PolarHBondContact O-N 3.15Å; L366-N370 PolarHBondContact O-ND2 3.14Å; I367-N370 PolarHBondContact O-N 3.1Å; N370-Y372 VanDerWaalsContact C-N 3.35Å; N370-W373 PolarHBondContact O-N 3.03Å; N370-A374 WeakPolarHBondContact O-CB 3.15Å; N370-A374 PolarHBondContact O-N 3.18Å
371	L	85.8	Confident	86.1	Confident	45 Å²	45	83 Å²	83	24%	0.236	40%	0.401	C	S	.	.	H	α-helix	trans	-64.2	-40.7	174.4	-169.6	77.5	0	0	0	111.4	I367 L368 I369 T375	I367-L371 WeakPolarHBondContact O-CB 3.36Å; I367-L371 PolarHBondContact O-N 3.45Å; L368-L371 PolarHBondContact O-N 2.92Å; I369-L371 PolarHBondContact O-N 3.07Å; L371-T375 WeakPolarHBondContact O-CB 3.42Å; L371-T375 PolarHBondContact O-N 2.56Å; L371-T375 PolarHBondContact O-OG1 2.96Å
372	Y	87.6	Confident	85.3	Confident	141 Å²	141	83.7 Å²	83.7	55%	0.553	40%	0.404	S	S	*	.	H	α-helix	trans	-62	-52.1	175.2	174.5	-95	0	0	0	111.2	L368 I369 N370 A374 T375 K376	L368-Y372 WeakPolarHBondContact O-CB 3.12Å; L368-Y372 PolarHBondContact O-N 2.91Å; I369-Y372 WeakPolarHBondContact O-CB 3.38Å; I369-Y372 PolarHBondContact O-N 3.38Å; N370-Y372 VanDerWaalsContact C-N 3.35Å; Y372-A374 PolarHBondContact O-N 2.74Å; Y372-T375 PolarHBondContact O-N 3.11Å; Y372-K376 HydrophobicContact CE1-CD 4.17Å; Y372-K376 WeakPolarHBondContact O-CB 3.41Å; Y372-K376 PolarHBondContact O-N 3.49Å
373	W	86.6	Confident	84.3	Confident	146 Å²	146	82.4 Å²	82.4	55%	0.553	40%	0.398	S	S	*	.	H	α-helix	trans	-62.3	-40.8	178.7	-72.8	115.5	0	0	0	112.5	I369 N370 T375 K376 K377	I369-W373 PolarHBondContact O-N 2.84Å; N370-W373 PolarHBondContact O-N 3.03Å; W373-T375 VanDerWaalsContact C-N 3.33Å; W373-T375 PolarHBondContact O-N 2.84Å; W373-K376 HydrophobicContact CE3-CD 4.21Å; W373-K376 HydrophobicContact CZ3-CD 4.12Å; W373-K376 PolarHBondContact O-N 3.13Å; W373-K377 WeakPolarHBondContact O-CB 3.34Å; W373-K377 PolarHBondContact O-N 3.13Å
374	A	79.7	Confident	83.2	Confident	59 Å²	59	86 Å²	86	49%	0.488	41%	0.413	S	S	.	.	H	α-helix	trans	-61.9	-41.5	175.4	0	0	0	0	0	111.7	N370 Y372 R378	N370-A374 WeakPolarHBondContact O-CB 3.15Å; N370-A374 PolarHBondContact O-N 3.18Å; Y372-A374 PolarHBondContact O-N 2.74Å; A374-R378 WeakPolarHBondContact O-CB 3.33Å; A374-R378 PolarHBondContact O-N 3.13Å
375	T	81.3	Confident	82	Confident	82 Å²	82	92.2 Å²	92.2	50%	0.503	44%	0.443	S	S	.	.	H	α-helix	trans	-66.9	-43.4	177.1	-57.3	0	0	0	0	111.4	L371 Y372 W373 R378 F379	L371-T375 WeakPolarHBondContact O-CB 3.42Å; L371-T375 PolarHBondContact O-N 2.56Å; L371-T375 PolarHBondContact O-OG1 2.96Å; Y372-T375 PolarHBondContact O-N 3.11Å; W373-T375 VanDerWaalsContact C-N 3.33Å; W373-T375 PolarHBondContact O-N 2.84Å; T375-R378 PolarHBondContact O-N 3.39Å; T375-F379 PolarHBondContact O-N 3.46Å
376	K	83.9	Confident	80.6	Confident	107 Å²	107	91.8 Å²	91.8	47%	0.465	45%	0.447	S	S	.	.	H	α-helix	trans	-62.6	-45.8	176.3	-172.7	174.9	-178.4	175.7	0	111.9	Y372 W373 R378 F379 H380	Y372-K376 HydrophobicContact CE1-CD 4.17Å; Y372-K376 WeakPolarHBondContact O-CB 3.41Å; Y372-K376 PolarHBondContact O-N 3.49Å; W373-K376 HydrophobicContact CE3-CD 4.21Å; W373-K376 HydrophobicContact CZ3-CD 4.12Å; W373-K376 PolarHBondContact O-N 3.13Å; K376-R378 VanDerWaalsContact C-N 3.34Å; K376-R378 PolarHBondContact O-N 3.18Å; K376-F379 PolarHBondContact O-N 2.89Å; K376-H380 PolarHBondContact O-N 3.38Å
377	K	80.9	Confident	78.9	Confident	153 Å²	153	92.6 Å²	92.6	67%	0.665	46%	0.458	S	S	*	.	H	α-helix	trans	-60.7	-42.9	175.9	-172.1	174.3	-177.2	175.8	0	111.2	W373 H380 L381	W373-K377 WeakPolarHBondContact O-CB 3.34Å; W373-K377 PolarHBondContact O-N 3.13Å; K377-H380 PolarHBondContact O-N 3Å; K377-L381 HydrophobicContact CG-CD1 4.33Å; K377-L381 WeakPolarHBondContact O-CG 3.36Å; K377-L381 PolarHBondContact O-N 2.96Å
378	R	75.5	Confident	77.3	Confident	93 Å²	93	97.1 Å²	97.1	35%	0.351	48%	0.478	S	S	.	.	H	α-helix	trans	-61.2	-45.4	175.2	-178.6	179.7	176.4	176.8	1.8	112	A374 T375 K376 L381 I382 S523	A374-R378 WeakPolarHBondContact O-CB 3.33Å; A374-R378 PolarHBondContact O-N 3.13Å; T375-R378 PolarHBondContact O-N 3.39Å; K376-R378 VanDerWaalsContact C-N 3.34Å; K376-R378 PolarHBondContact O-N 3.18Å; R378-L381 PolarHBondContact O-N 2.67Å; R378-I382 HydrophobicContact CG-CD1 3.86Å; R378-I382 VanDerWaalsContact O-CG1 3.29Å; R378-I382 WeakPolarHBondContact O-CG1 3.27Å; R378-I382 PolarHBondContact O-N 3.35Å; R378-S523 PolarHBondContact NH1-OG 3.22Å; R378-S523 PolarHBondContact NH2-OG 3.48Å
379	F	76.1	Confident	75.6	Confident	134 Å²	134	100.6 Å²	100.6	59%	0.588	49%	0.489	S	S	*	.	H	α-helix	trans	-61.1	-44.3	177.8	-176.6	-104.8	0	0	0	111.8	T375 K376 L381 I382 N383	T375-F379 PolarHBondContact O-N 3.46Å; K376-F379 PolarHBondContact O-N 2.89Å; F379-L381 PolarHBondContact O-N 3.44Å; F379-I382 PolarHBondContact O-N 2.86Å; F379-N383 WeakPolarHBondContact CE1-ND2 3.46Å; F379-N383 VanDerWaalsContact CZ-ND2 3.26Å; F379-N383 WeakPolarHBondContact CZ-ND2 3.39Å; F379-N383 PolarHBondContact O-N 3.47Å
380	H	77.7	Confident	73.5	Confident	130 Å²	130	104.4 Å²	104.4	60%	0.602	50%	0.503	S	S	*	.	H	α-helix	trans	-63	-40.1	177.9	-168.6	46.6	0	0	0	112.8	K376 K377 N383 K384	K376-H380 PolarHBondContact O-N 3.38Å; K377-H380 PolarHBondContact O-N 3Å; H380-N383 PolarHBondContact O-N 3.36Å; H380-K384 WeakPolarHBondContact O-CB 3.28Å; H380-K384 PolarHBondContact O-N 3.32Å
381	L	75.8	Confident	71.2	Confident	96 Å²	96	107.1 Å²	107.1	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-66.7	-40.3	176.1	-71.1	170.9	0	0	0	112.8	K377 R378 F379 K384 M385	K377-L381 HydrophobicContact CG-CD1 4.33Å; K377-L381 WeakPolarHBondContact O-CG 3.36Å; K377-L381 PolarHBondContact O-N 2.96Å; R378-L381 PolarHBondContact O-N 2.67Å; F379-L381 PolarHBondContact O-N 3.44Å; L381-K384 PolarHBondContact O-N 3.3Å; L381-M385 WeakPolarHBondContact O-CB 3.37Å; L381-M385 PolarHBondContact O-N 2.93Å
382	I	75.4	Confident	69.1	Low	90 Å²	90	113 Å²	113	46%	0.462	54%	0.537	S	S	.	.	H	α-helix	trans	-62.3	-45.2	176.4	-70	167.6	0	0	0	110.3	R378 F379 M385 S386	R378-I382 HydrophobicContact CG-CD1 3.86Å; R378-I382 VanDerWaalsContact O-CG1 3.29Å; R378-I382 WeakPolarHBondContact O-CG1 3.27Å; R378-I382 PolarHBondContact O-N 3.35Å; F379-I382 PolarHBondContact O-N 2.86Å; I382-M385 PolarHBondContact O-N 3.23Å; I382-S386 PolarHBondContact O-N 3.46Å
383	N	72.8	Confident	66.9	Low	66 Å²	66	114.7 Å²	114.7	35%	0.353	54%	0.543	S	S	.	.	H	α-helix	trans	-65.8	-42.7	178.6	-68.3	-7.9	0	0	0	111.5	F379 H380 M385 S386 S387	F379-N383 WeakPolarHBondContact CE1-ND2 3.46Å; F379-N383 VanDerWaalsContact CZ-ND2 3.26Å; F379-N383 WeakPolarHBondContact CZ-ND2 3.39Å; F379-N383 PolarHBondContact O-N 3.47Å; H380-N383 PolarHBondContact O-N 3.36Å; N383-M385 VanDerWaalsContact C-N 3.33Å; N383-M385 PolarHBondContact O-N 3.22Å; N383-S386 WeakPolarHBondContact O-CB 3.47Å; N383-S386 PolarHBondContact O-N 2.03Å; N383-S386 VanDerWaalsContact O-N 3.14Å; N383-S387 PolarHBondContact O-N 3.48Å; N383-S387 PolarHBondContact O-OG 3.42Å
384	K	70.6	Confident	64.5	Low	87 Å²	87	114.9 Å²	114.9	38%	0.378	54%	0.544	S	S	.	.	H	α-helix	trans	-62	-38.6	176.2	-167.6	175.6	-176.1	178.9	0	112.3	H380 L381 K388	H380-K384 WeakPolarHBondContact O-CB 3.28Å; H380-K384 PolarHBondContact O-N 3.32Å; L381-K384 PolarHBondContact O-N 3.3Å; K384-K388 WeakPolarHBondContact O-CG 3.38Å; K384-K388 PolarHBondContact O-N 3.34Å; K384-K388 VanDerWaalsContact O-N 3.09Å
385	M	66.6	Low	62.9	Low	139 Å²	139	115 Å²	115	69%	0.685	54%	0.539	S	S	*	.	H	α-helix	trans	-66.8	-38.4	173.3	-88.2	-176.6	140.7	0	0	112.5	L381 I382 N383 K388 K389	L381-M385 WeakPolarHBondContact O-CB 3.37Å; L381-M385 PolarHBondContact O-N 2.93Å; I382-M385 PolarHBondContact O-N 3.23Å; N383-M385 VanDerWaalsContact C-N 3.33Å; N383-M385 PolarHBondContact O-N 3.22Å; M385-K388 PolarHBondContact O-N 3Å; M385-K389 WeakPolarHBondContact O-CG 3.35Å; M385-K389 PolarHBondContact O-N 3.3Å
386	S	63.9	Low	61.2	Low	72 Å²	72	113.6 Å²	113.6	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-65.3	-46	176.9	-164	0	0	0	0	111.5	I382 N383 K388 K389 F390	I382-S386 PolarHBondContact O-N 3.46Å; N383-S386 WeakPolarHBondContact O-CB 3.47Å; N383-S386 PolarHBondContact O-N 2.03Å; N383-S386 VanDerWaalsContact O-N 3.14Å; S386-K388 PolarHBondContact O-N 3.15Å; S386-K389 PolarHBondContact O-N 3.26Å; S386-F390 PolarHBondContact O-N 3.45Å
387	S	57.1	Low	59.3	Low	83 Å²	83	113.2 Å²	113.2	58%	0.58	53%	0.533	S	S	*	.	H	α-helix	trans	-62.1	-40.3	176.3	-58	0	0	0	0	112.3	N383 F390 L391	N383-S387 PolarHBondContact O-N 3.48Å; N383-S387 PolarHBondContact O-OG 3.42Å; S387-F390 PolarHBondContact O-N 2.94Å; S387-L391 PolarHBondContact O-N 3.02Å
388	K	56.3	Low	57.4	Low	100 Å²	100	109.1 Å²	109.1	44%	0.435	52%	0.519	S	S	.	.	H	α-helix	trans	-66.5	-36.7	175.4	-78.6	-172.4	173.8	-166.4	0	113.4	K384 M385 S386 F390 L391 Y392 L423	K384-K388 WeakPolarHBondContact O-CG 3.38Å; K384-K388 PolarHBondContact O-N 3.34Å; K384-K388 VanDerWaalsContact O-N 3.09Å; M385-K388 PolarHBondContact O-N 3Å; S386-K388 PolarHBondContact O-N 3.15Å; K388-F390 VanDerWaalsContact C-N 3.31Å; K388-L391 PolarHBondContact O-N 3.04Å; K388-Y392 WeakPolarHBondContact O-CB 3.28Å; K388-Y392 PolarHBondContact O-N 3.08Å; K388-L423 VanDerWaalsContact NZ-CD2 3.27Å
389	K	55.4	Low	55.8	Low	164 Å²	164	110.7 Å²	110.7	71%	0.713	53%	0.534	S	S	*	.	H	α-helix	trans	-64.9	-38	173.5	-82.1	-177.1	176.7	-178	0	111.8	M385 S386 R393	M385-K389 WeakPolarHBondContact O-CG 3.35Å; M385-K389 PolarHBondContact O-N 3.3Å; S386-K389 PolarHBondContact O-N 3.26Å; K389-R393 WeakPolarHBondContact O-CB 3.5Å; K389-R393 PolarHBondContact O-N 2.85Å
390	F	46	Very low	54.2	Low	158 Å²	158	112.2 Å²	112.2	69%	0.693	54%	0.543	S	S	*	.	H	α-helix	trans	-67	-42.2	176	-140.8	-85.4	0	0	0	111.2	S386 S387 K388 R393 Y394	S386-F390 PolarHBondContact O-N 3.45Å; S387-F390 PolarHBondContact O-N 2.94Å; K388-F390 VanDerWaalsContact C-N 3.31Å; F390-R393 PolarHBondContact O-N 2.76Å; F390-Y394 WeakPolarHBondContact O-CB 3.23Å; F390-Y394 PolarHBondContact O-N 2.96Å
391	L	40.2	Very low	52.2	Low	105 Å²	105	114.4 Å²	114.4	55%	0.55	55%	0.551	S	S	.	*	H	α-helix	trans	-63.7	-45.1	176.2	-160.7	79.6	0	0	0	111.8	S387 K388 R393 Y394 T395	S387-L391 PolarHBondContact O-N 3.02Å; K388-L391 PolarHBondContact O-N 3.04Å; L391-R393 VanDerWaalsContact C-N 3.31Å; L391-R393 PolarHBondContact O-N 3.02Å; L391-Y394 PolarHBondContact O-N 3.31Å; L391-T395 WeakPolarHBondContact O-CG2 3.47Å; L391-T395 PolarHBondContact O-N 3.2Å; L391-T395 PolarHBondContact O-OG1 3.18Å
392	Y	43.1	Very low	50.2	Low	168 Å²	168	115.7 Å²	115.7	66%	0.659	56%	0.558	S	S	*	*	H	α-helix	trans	-63.5	-38.3	178	-166.8	-97.9	0	0	0	111.9	K388 T395 T396	K388-Y392 WeakPolarHBondContact O-CB 3.28Å; K388-Y392 PolarHBondContact O-N 3.08Å; Y392-T395 WeakPolarHBondContact CA-OG1 3.11Å; Y392-T395 PolarHBondContact O-N 2.88Å; Y392-T395 PolarHBondContact O-OG1 3.34Å; Y392-T396 HydrophobicContact CD1-CG2 3.99Å; Y392-T396 HydrophobicContact CE1-CG2 3.68Å; Y392-T396 VanDerWaalsContact O-CG2 3.31Å; Y392-T396 WeakPolarHBondContact O-CG2 3.48Å; Y392-T396 PolarHBondContact O-N 3.19Å; Y392-T396 PolarHBondContact O-OG1 3.46Å
393	R	39.7	Very low	48.3	Very low	177 Å²	177	119.3 Å²	119.3	67%	0.668	58%	0.579	S	S	*	*	H	α-helix	trans	-66.9	-39.4	176	-160.8	174.5	-167.2	179.5	2.5	111.8	K389 F390 L391 T396 D397	K389-R393 WeakPolarHBondContact O-CB 3.5Å; K389-R393 PolarHBondContact O-N 2.85Å; F390-R393 PolarHBondContact O-N 2.76Å; L391-R393 VanDerWaalsContact C-N 3.31Å; L391-R393 PolarHBondContact O-N 3.02Å; R393-T396 PolarHBondContact O-OG1 3.31Å; R393-T396 VanDerWaalsContact O-OG1 3.14Å; R393-D397 VanDerWaalsContact O-CB 3.31Å; R393-D397 WeakPolarHBondContact O-CB 3.28Å; R393-D397 PolarHBondContact O-N 3.22Å
394	Y	35.9	Very low	46.4	Very low	149 Å²	149	123.1 Å²	123.1	58%	0.584	60%	0.598	S	S	*	*	H	α-helix	trans	-67.1	-37.8	176.3	-160.8	-97.9	0	0	0	112.4	F390 L391 N398	F390-Y394 WeakPolarHBondContact O-CB 3.23Å; F390-Y394 PolarHBondContact O-N 2.96Å; L391-Y394 PolarHBondContact O-N 3.31Å; Y394-N398 WeakPolarHBondContact CE1-ND2 3.41Å; Y394-N398 WeakPolarHBondContact O-CB 3.43Å; Y394-N398 PolarHBondContact O-N 3.08Å; Y394-N398 PolarHBondContact O-ND2 3.26Å
395	T	47.1	Very low	44.7	Very low	62 Å²	62	125.5 Å²	125.5	38%	0.38	62%	0.615	S	S	.	*	H	α-helix	trans	-71.2	-41.2	175.7	53.3	0	0	0	0	111.9	L391 Y392 N398 D399	L391-T395 WeakPolarHBondContact O-CG2 3.47Å; L391-T395 PolarHBondContact O-N 3.2Å; L391-T395 PolarHBondContact O-OG1 3.18Å; Y392-T395 WeakPolarHBondContact CA-OG1 3.11Å; Y392-T395 PolarHBondContact O-N 2.88Å; Y392-T395 PolarHBondContact O-OG1 3.34Å; T395-N398 PolarHBondContact O-N 3.05Å; T395-D399 VanDerWaalsContact O-CG 3.25Å; T395-D399 PolarHBondContact O-N 2.84Å
396	T	45.7	Very low	43.1	Very low	53 Å²	53	126.6 Å²	126.6	33%	0.325	62%	0.618	S	S	.	*	H	α-helix	trans	-71.8	-30.6	179.4	55.4	0	0	0	0	113.7	Y392 R393	Y392-T396 HydrophobicContact CD1-CG2 3.99Å; Y392-T396 HydrophobicContact CE1-CG2 3.68Å; Y392-T396 VanDerWaalsContact O-CG2 3.31Å; Y392-T396 WeakPolarHBondContact O-CG2 3.48Å; Y392-T396 PolarHBondContact O-N 3.19Å; Y392-T396 PolarHBondContact O-OG1 3.46Å; R393-T396 PolarHBondContact O-OG1 3.31Å; R393-T396 VanDerWaalsContact O-OG1 3.14Å
397	D	43.1	Very low	41.5	Very low	98 Å²	98	130.4 Å²	130.4	52%	0.524	63%	0.628	S	S	.	*	H	α-helix	trans	-76.7	-28.4	177.5	-69.6	-17.7	0	0	0	111.4	R393	R393-D397 VanDerWaalsContact O-CB 3.31Å; R393-D397 WeakPolarHBondContact O-CB 3.28Å; R393-D397 PolarHBondContact O-N 3.22Å
398	N	41.5	Very low	40.3	Very low	67 Å²	67	134.1 Å²	134.1	36%	0.358	64%	0.636	S	S	.	*	H	α-helix	trans	-82.7	-28.5	176.1	-74.6	-13.8	0	0	0	113.6	Y394 T395 H400 F401	Y394-N398 WeakPolarHBondContact CE1-ND2 3.41Å; Y394-N398 WeakPolarHBondContact O-CB 3.43Å; Y394-N398 PolarHBondContact O-N 3.08Å; Y394-N398 PolarHBondContact O-ND2 3.26Å; T395-N398 PolarHBondContact O-N 3.05Å; N398-H400 PolarHBondContact O-N 3.03Å; N398-F401 PolarHBondContact O-N 2.64Å
399	D	42.8	Very low	39.2	Very low	126 Å²	126	137.7 Å²	137.7	67%	0.674	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-15.8	176.1	-72	-22.3	0	0	0	112.8	T395	T395-D399 VanDerWaalsContact O-CG 3.25Å; T395-D399 PolarHBondContact O-N 2.84Å
400	H	41.9	Very low	38.1	Very low	166 Å²	166	139.2 Å²	139.2	77%	0.769	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-2.5	173.7	-110.1	-51.5	0	0	0	114.5	N398	N398-H400 PolarHBondContact O-N 3.03Å
401	F	36.4	Very low	37.5	Very low	176 Å²	176	139.9 Å²	139.9	77%	0.772	67%	0.668	S	S	*	*	S	Bend	trans	-116.3	-0.4	-177.5	-121.2	-90.5	0	0	0	114.9	N398	N398-F401 PolarHBondContact O-N 2.64Å
402	N	32.5	Very low	37.3	Very low	124 Å²	124	141.1 Å²	141.1	66%	0.663	68%	0.675	S	S	*	*			trans	-106.1	51.5	-174.3	-75.4	-18.4	0	0	0	114.3
403	N	35.9	Very low	37	Very low	166 Å²	166	141.2 Å²	141.2	89%	0.888	68%	0.681	S	S	*	*	S	Bend	trans	-117.8	23.7	166.3	-112.1	-1.6	0	0	0	113.2
404	L	33.5	Very low	36.7	Very low	145 Å²	145	142 Å²	142	76%	0.759	69%	0.689	S	S	*	*	S	Bend	trans	-135.9	119.9	164.5	-83.4	103.8	0	0	0	110.1
405	D	34.4	Very low	36.6	Very low	138 Å²	138	143.1 Å²	143.1	74%	0.738	70%	0.697	S	S	*	*			trans	66.1	107	153.5	-58.5	-33	0	0	0	121.5
406	H	32.8	Very low	35.9	Very low	161 Å²	161	146.1 Å²	146.1	75%	0.745	71%	0.709	S	S	*	*				45.8	127.6	128	-87.1	-75.7	0	0	0	122.2
407	H	31.2	Very low	35.3	Very low	153 Å²	153	148.8 Å²	148.8	71%	0.708	72%	0.721	S	S	*	*			trans	85.5	127.5	146.8	-79.4	-65.5	0	0	0	120.9
408	H	31.3	Very low	34.8	Very low	160 Å²	160	150.3 Å²	150.3	74%	0.741	73%	0.725	S	S	*	*			trans	74.3	100.2	158.8	-67.7	-56.3	0	0	0	119.3
409	H	32.8	Very low	34.3	Very low	176 Å²	176	152.3 Å²	152.3	82%	0.815	74%	0.735	S	S	*	*				178.2	107	107.9	-103.3	-73.7	0	0	0	111.7
410	H	31.6	Very low	33.8	Very low	195 Å²	195	149.3 Å²	149.3	90%	0.903	72%	0.724	S	S	*	*			trans	-95.4	86.8	177.2	-139.7	-58	0	0	0	108.1
411	Q	34.9	Very low	33.3	Very low	172 Å²	172	147.8 Å²	147.8	80%	0.804	72%	0.718	S	S	*	*			trans	-163.8	-9.2	166.1	-115.1	157.7	8.1	0	0	118.8
412	D	34.4	Very low	33.1	Very low	131 Å²	131	145.4 Å²	145.4	70%	0.701	71%	0.708	S	S	*	*	S	Bend	trans	-97.4	-5.7	-172.1	-79.9	-42.3	0	0	0	117	K414	D412-K414 VanDerWaalsContact C-N 3.34Å; D412-K414 PolarHBondContact O-N 2.88Å
413	H	36.8	Very low	33.1	Very low	170 Å²	170	141.6 Å²	141.6	79%	0.787	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-18.1	-175.8	-90.8	-80.8	0	0	0	115.4	K415	H413-K415 PolarHBondContact O-N 3.27Å
414	K	34.6	Very low	32.8	Very low	193 Å²	193	139.1 Å²	139.1	84%	0.839	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-11.6	180	-83.2	-177.1	175.1	178.6	0	114.9	D412	D412-K414 VanDerWaalsContact C-N 3.34Å; D412-K414 PolarHBondContact O-N 2.88Å
415	K	33.9	Very low	32.7	Very low	173 Å²	173	139.1 Å²	139.1	75%	0.752	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-20.6	-178.8	-113.1	174.3	-178.7	171.2	0	113.7	H413	H413-K415 PolarHBondContact O-N 3.27Å
416	M	32.9	Very low	32.6	Very low	125 Å²	125	136.3 Å²	136.3	62%	0.616	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-33.8	-179.7	-88.2	-152.2	70.1	0	0	113.8	H418 L419 S420	M416-H418 VanDerWaalsContact C-N 3.28Å; M416-H418 PolarHBondContact O-N 3.15Å; M416-L419 PolarHBondContact O-N 2.84Å; M416-L419 VanDerWaalsContact O-N 3.12Å; M416-S420 PolarHBondContact O-N 3.46Å; M416-S420 VanDerWaalsContact O-N 3.16Å
417	D	31.7	Very low	32.4	Very low	110 Å²	110	132.9 Å²	132.9	59%	0.588	66%	0.656	S	S	*	*	H	α-helix	trans	-68.2	-30.2	178.8	-63.7	-25.8	0	0	0	112.3	L419 S420 M421	D417-L419 PolarHBondContact O-N 2.97Å; D417-S420 PolarHBondContact O-OG 3.26Å; D417-M421 PolarHBondContact O-N 3.01Å
418	H	32.7	Very low	32.2	Very low	129 Å²	129	131.1 Å²	131.1	60%	0.597	65%	0.651	S	S	*	*	H	α-helix	trans	-73.6	-18	176.1	-142.9	-50.2	0	0	0	113.1	M416	M416-H418 VanDerWaalsContact C-N 3.28Å; M416-H418 PolarHBondContact O-N 3.15Å
419	L	32.3	Very low	32	Very low	109 Å²	109	128.8 Å²	128.8	57%	0.571	65%	0.651	S	S	*	*	H	α-helix	trans	-93.8	-32.7	-178.7	-147.7	79.6	0	0	0	111.9	M416 D417 L423	M416-L419 PolarHBondContact O-N 2.84Å; M416-L419 VanDerWaalsContact O-N 3.12Å; D417-L419 PolarHBondContact O-N 2.97Å; L419-L423 WeakPolarHBondContact O-CD1 3.32Å; L419-L423 PolarHBondContact O-N 3.47Å
420	S	32.1	Very low	31.6	Very low	63 Å²	63	124.5 Å²	124.5	44%	0.441	64%	0.641	S	S	.	*	H	α-helix	trans	-69.3	-37.6	173.1	59.9	0	0	0	0	111.8	M416 D417 L423 N424	M416-S420 PolarHBondContact O-N 3.46Å; M416-S420 VanDerWaalsContact O-N 3.16Å; D417-S420 PolarHBondContact O-OG 3.26Å; S420-L423 PolarHBondContact O-N 3.46Å; S420-N424 PolarHBondContact O-N 3.4Å
421	M	30.4	Very low	31.3	Very low	134 Å²	134	121.9 Å²	121.9	66%	0.66	64%	0.639	S	S	*	*	H	α-helix	trans	-64.3	-38.8	172.3	-86.1	-178.8	91	0	0	113.6	D417 L423 Q425	D417-M421 PolarHBondContact O-N 3.01Å; M421-L423 VanDerWaalsContact C-N 3.26Å; M421-L423 PolarHBondContact O-N 3.45Å; M421-Q425 PolarHBondContact O-N 3.26Å
422	K	32.7	Very low	31	Very low	126 Å²	126	118.8 Å²	118.8	55%	0.548	63%	0.632	S	S	.	*	H	α-helix	trans	-72.3	-18	176.8	-81.1	-177.6	175.2	177.6	0	113.5	S426	K422-S426 PolarHBondContact O-N 3.32Å; K422-S426 PolarHBondContact O-OG 2.98Å
423	L	32.4	Very low	30.6	Very low	44 Å²	44	117.4 Å²	117.4	23%	0.23	63%	0.633	C	S	.	*	H	α-helix	trans	-83.7	-35	177.4	-87.9	155.3	0	0	0	112.4	K388 L419 S420 M421 Q425 S426 S427	K388-L423 VanDerWaalsContact NZ-CD2 3.27Å; L419-L423 WeakPolarHBondContact O-CD1 3.32Å; L419-L423 PolarHBondContact O-N 3.47Å; S420-L423 PolarHBondContact O-N 3.46Å; M421-L423 VanDerWaalsContact C-N 3.26Å; M421-L423 PolarHBondContact O-N 3.45Å; L423-Q425 VanDerWaalsContact C-N 3.3Å; L423-S426 PolarHBondContact O-N 3.5Å; L423-S426 PolarHBondContact O-OG 2.94Å; L423-S427 PolarHBondContact O-N 2.86Å; L423-S427 VanDerWaalsContact O-N 3.09Å; L423-S427 PolarHBondContact O-OG 3.42Å
424	N	30.3	Very low	30.1	Very low	114 Å²	114	116.6 Å²	116.6	61%	0.61	63%	0.632	S	S	*	*	H	α-helix	trans	-69.7	-26.4	169.7	-83	-7.1	0	0	0	112.8	S420 S426 L428	S420-N424 PolarHBondContact O-N 3.4Å; N424-S426 VanDerWaalsContact C-N 3.35Å; N424-L428 WeakPolarHBondContact O-CD1 3.44Å; N424-L428 PolarHBondContact O-N 2.96Å
425	Q	31.3	Very low	29.8	Very low	145 Å²	145	118.5 Å²	118.5	68%	0.678	64%	0.636	S	S	*	*	H	α-helix	trans	-79.6	-10.9	171.5	-75.8	178.1	-16.1	0	0	114.7	M421 L423	M421-Q425 PolarHBondContact O-N 3.26Å; L423-Q425 VanDerWaalsContact C-N 3.3Å
426	S	30.8	Very low	29.6	Very low	80 Å²	80	118.6 Å²	118.6	56%	0.559	64%	0.639	S	S	*	*	H	α-helix	trans	-114.1	-4.2	179.5	51.7	0	0	0	0	114.2	K422 L423 N424	K422-S426 PolarHBondContact O-N 3.32Å; K422-S426 PolarHBondContact O-OG 2.98Å; L423-S426 PolarHBondContact O-N 3.5Å; L423-S426 PolarHBondContact O-OG 2.94Å; N424-S426 VanDerWaalsContact C-N 3.35Å
427	S	30.4	Very low	29.2	Very low	89 Å²	89	122.9 Å²	122.9	62%	0.622	65%	0.648	S	S	*	*	H	α-helix	trans	-105.6	-15.5	168.1	58.6	0	0	0	0	113.5	L423 C429	L423-S427 PolarHBondContact O-N 2.86Å; L423-S427 VanDerWaalsContact O-N 3.09Å; L423-S427 PolarHBondContact O-OG 3.42Å; S427-C429 PolarHBondContact O-N 2.96Å
428	L	26.2	Very low	29.1	Very low	116 Å²	116	127 Å²	127	61%	0.607	66%	0.661	S	S	*	*	S	Bend	trans	-78.9	113.8	159.5	-93.2	85.1	0	0	0	108.4	N424 S430	N424-L428 WeakPolarHBondContact O-CD1 3.44Å; N424-L428 PolarHBondContact O-N 2.96Å; L428-S430 PolarHBondContact O-N 3.5Å
429	C	26.7	Very low	28.9	Very low	110 Å²	110	129.1 Å²	129.1	74%	0.743	67%	0.67	S	S	*	*			trans	-64.3	87.6	157.6	-155.1	0	0	0	0	106.1	S427 T431	S427-C429 PolarHBondContact O-N 2.96Å; C429-T431 PolarHBondContact O-N 3.45Å
430	S	25.3	Very low	28.8	Very low	86 Å²	86	131 Å²	131	60%	0.601	68%	0.681	S	S	*	*			trans	-63.7	89.8	174.7	40.5	0	0	0	0	108.5	L428 T432	L428-S430 PolarHBondContact O-N 3.5Å; S430-T432 PolarHBondContact O-N 3.24Å
431	T	25.2	Very low	28.5	Very low	140 Å²	140	134.6 Å²	134.6	86%	0.859	70%	0.701	S	S	*	*			trans	-63.3	80.8	151.3	33.2	0	0	0	0	107.3	C429	C429-T431 PolarHBondContact O-N 3.45Å
432	T	27.1	Very low	28.5	Very low	108 Å²	108	136 Å²	136	66%	0.663	71%	0.71	S	S	*	*			trans	-102.6	113.1	163.1	41.7	0	0	0	0	107.9	S430	S430-T432 PolarHBondContact O-N 3.24Å
433	S	26.2	Very low	28.3	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	72%	0.722	S	S	*	*	S	Bend	trans	49.3	106.6	151.5	62.2	0	0	0	0	115.5
434	I	27.1	Very low	28.1	Very low	153 Å²	153	143.8 Å²	143.8	79%	0.785	75%	0.752	S	S	*	*				-165.8	110.2	86	-76	139.1	0	0	0	105.1
435	Y	27.9	Very low	27.9	Very low	232 Å²	232	145.9 Å²	145.9	91%	0.91	76%	0.757	S	S	*	*			trans	-177.7	119.6	141.2	-107	-77.2	0	0	0	108.7
436	H	29.9	Very low	27.9	Very low	175 Å²	175	147.3 Å²	147.3	81%	0.81	77%	0.767	S	S	*	*			trans	-66.6	125	-174	-124.8	-95.8	0	0	0	111.8
437	R	24.9	Very low	27.8	Very low	215 Å²	215	149.8 Å²	149.8	81%	0.811	77%	0.772	S	S	*	*			trans	33	106.7	131.3	-169.4	-175.7	-85.6	-164.6	-5.5	118.5
438	K	29.7	Very low	27.9	Very low	197 Å²	197	151.8 Å²	151.8	86%	0.857	78%	0.781	S	S	*	*				-171	104.7	126.8	-109	179	176.3	-177	0	108.1
439	H	27.6	Very low	28.3	Very low	173 Å²	173	152.2 Å²	152.2	80%	0.801	79%	0.79	S	S	*	*				34.9	101.6	110.3	-90.5	-85	0	0	0	113.1
440	D	30.8	Very low	28.3	Very low	149 Å²	149	155.7 Å²	155.7	80%	0.797	80%	0.796	S	S	*	*				-165.5	119.2	127.8	-85.5	-26.2	0	0	0	109.9	L442	D440-L442 PolarHBondContact O-N 3.39Å
441	T	26.8	Very low	28.7	Very low	139 Å²	139	158.4 Å²	158.4	85%	0.853	81%	0.809	S	S	*	*			trans	-63.1	116	167.5	38.5	0	0	0	0	109.7
442	L	28.6	Very low	29	Very low	163 Å²	163	157.1 Å²	157.1	85%	0.853	80%	0.803	S	S	*	*			trans	-129.4	104.5	167.5	-107.6	154.5	0	0	0	109.2	D440	D440-L442 PolarHBondContact O-N 3.39Å
443	Q	29.7	Very low	29.3	Very low	173 Å²	173	157.4 Å²	157.4	81%	0.808	81%	0.809	S	S	*	*			trans	-62	135.5	171.2	-68.7	-150.9	-7.7	0	0	110.5	Q445	Q443-Q445 PolarHBondContact O-N 3.35Å
444	L	26.8	Very low	29.6	Very low	161 Å²	161	159 Å²	159	84%	0.843	82%	0.815	S	S	*	*			trans	-86.6	92.8	178.4	-155.4	89	0	0	0	109.2
445	Q	27.6	Very low	29.8	Very low	157 Å²	157	157.4 Å²	157.4	73%	0.734	81%	0.814	S	S	*	*			trans	-104.9	101.7	170.2	-146.5	174.4	-5.1	0	0	108.5	Q443 I447	Q443-Q445 PolarHBondContact O-N 3.35Å; Q445-I447 HydrophobicContact CG-CD1 4.37Å; Q445-I447 HydrophobicContact CG-CG1 4.16Å
446	M	30.3	Very low	29.9	Very low	176 Å²	176	151.6 Å²	151.6	87%	0.867	81%	0.808	S	S	*	*			trans	-91.3	100	164.8	-81.4	-163.9	-73.4	0	0	108.6
447	I	28.7	Very low	29.9	Very low	131 Å²	131	151.4 Å²	151.4	67%	0.672	81%	0.809	S	S	*	*			trans	-89.9	125.8	167.9	-63.8	167.4	0	0	0	107.7	Q445	Q445-I447 HydrophobicContact CG-CD1 4.37Å; Q445-I447 HydrophobicContact CG-CG1 4.16Å
448	T	33.3	Very low	30.2	Very low	132 Å²	132	147.8 Å²	147.8	81%	0.81	81%	0.806	S	S	*	*			trans	-133.8	148.7	152.1	35.4	0	0	0	0	109.3
449	P	33.5	Very low	30	Very low	124 Å²	124	143.4 Å²	143.4	81%	0.805	80%	0.8	S	S	*	*			trans	-84.3	150.6	-144.8	-8.8	26.7	0	0	0	115.2
450	Q	28.6	Very low	30	Very low	184 Å²	184	140.7 Å²	140.7	86%	0.86	80%	0.8	S	S	*	*			trans	-78.6	145.7	175.8	-67.5	172.1	-21.9	0	0	112.9
451	T	32	Very low	29.9	Very low	142 Å²	142	141.9 Å²	141.9	87%	0.871	80%	0.8	S	S	*	*			trans	-131.5	131.5	145.2	42.6	0	0	0	0	108.4
452	P	32.4	Very low	29.9	Very low	114 Å²	114	139.2 Å²	139.2	74%	0.74	79%	0.787	S	S	*	*			trans	-111.9	177.9	-161.2	37.8	-25	0	0	0	115.6
453	S	33.5	Very low	29.9	Very low	113 Å²	113	139.1 Å²	139.1	79%	0.79	79%	0.787	S	S	*	*			trans	91	125.1	170.6	78.8	0	0	0	0	114.7
454	T	32	Very low	29.8	Very low	135 Å²	135	139.3 Å²	139.3	83%	0.828	79%	0.788	S	S	*	*			cis	-150.5	162.2	30.7	38.6	0	0	0	0	112.8
455	P	30.8	Very low	29.9	Very low	120 Å²	120	139.6 Å²	139.6	78%	0.779	79%	0.789	S	S	*	*			trans	-110.2	158	-154.4	38.9	-28.8	0	0	0	115.5
456	S	31	Very low	29.8	Very low	111 Å²	111	137.4 Å²	137.4	78%	0.776	79%	0.786	S	S	*	*			trans	-167.8	131.8	138.2	48.8	0	0	0	0	113.8
457	M	29.3	Very low	29.7	Very low	171 Å²	171	135.9 Å²	135.9	84%	0.842	78%	0.782	S	S	*	*			trans	78.2	107.3	150.1	-69.8	-179.8	121.6	0	0	122.2
458	N	31.2	Very low	29.5	Very low	139 Å²	139	134.9 Å²	134.9	74%	0.743	78%	0.782	S	S	*	*			trans	112	87	139.9	-58.8	-7.5	0	0	0	118.3
459	S	26.6	Very low	29.2	Very low	105 Å²	105	135.7 Å²	135.7	73%	0.734	78%	0.781	S	S	*	*				18.5	135.7	124.5	68.6	0	0	0	0	118.5
460	C	27.3	Very low	29	Very low	116 Å²	116	136.9 Å²	136.9	78%	0.784	78%	0.779	S	S	*	*			cis	-158.4	151.2	41.6	-73.9	0	0	0	0	113.4
461	H	28.6	Very low	29	Very low	173 Å²	173	135.8 Å²	135.8	80%	0.801	78%	0.779	S	S	*	*			trans	-3.1	124.8	145.7	-77	-75.9	0	0	0	119.1
462	S	26.2	Very low	28.9	Very low	84 Å²	84	135.3 Å²	135.3	59%	0.587	77%	0.77	S	S	*	*				74.5	120.7	78.6	74.3	0	0	0	0	113.9
463	D	29.7	Very low	28.7	Very low	160 Å²	160	138.9 Å²	138.9	86%	0.856	77%	0.774	S	S	*	*				170.7	148.9	124.2	-75.5	-9.3	0	0	0	112.2
464	E	25.6	Very low	28.5	Very low	177 Å²	177	142.5 Å²	142.5	83%	0.827	78%	0.778	S	S	*	*			trans	-115.4	115.3	-156.8	175.2	-177.9	-141.3	0	0	108.9
465	I	29.6	Very low	28.2	Very low	168 Å²	168	141.4 Å²	141.4	86%	0.862	77%	0.772	S	S	*	*			trans	-143.7	118.6	166.3	-58.8	-177.3	0	0	0	111.8
466	T	24.9	Very low	28	Very low	110 Å²	110	143 Å²	143	68%	0.675	77%	0.774	S	S	*	*			trans	-65.3	129.8	162.5	45.8	0	0	0	0	112.4
467	N	28	Very low	27.7	Very low	144 Å²	144	145 Å²	145	77%	0.77	78%	0.775	S	S	*	*				166.1	125.5	126.8	-89.7	-21.9	0	0	0	113.6
468	T	26	Very low	27.8	Very low	110 Å²	110	144.1 Å²	144.1	68%	0.675	77%	0.774	S	S	*	*			trans	30.6	121.3	138.6	60.6	0	0	0	0	120.7
469	N	27.4	Very low	27.6	Very low	150 Å²	150	147 Å²	147	80%	0.802	78%	0.783	S	S	*	*			trans	130.8	94.5	146	-66	-18.2	0	0	0	111.4
470	I	28.7	Very low	27.8	Very low	149 Å²	149	146.7 Å²	146.7	76%	0.764	78%	0.781	S	S	*	*			trans	-100.2	85.3	177.2	-66.5	177.7	0	0	0	107.9	I472	I470-I472 HydrophobicContact CG2-CD1 3.58Å; I470-I472 HydrophobicContact CG2-CG1 3.34Å
471	D	28	Very low	27.8	Very low	161 Å²	161	149 Å²	149	86%	0.861	79%	0.785	S	S	*	*			trans	-88.1	99.7	155.8	-82.6	-36.9	0	0	0	107.6	F473	D471-F473 PolarHBondContact O-N 3.33Å
472	I	29.7	Very low	27.8	Very low	131 Å²	131	146.6 Å²	146.6	67%	0.672	78%	0.783	S	S	*	*			trans	-91	96.6	173.8	-56	174.9	0	0	0	106.5	I470	I470-I472 HydrophobicContact CG2-CD1 3.58Å; I470-I472 HydrophobicContact CG2-CG1 3.34Å
473	F	27.8	Very low	27.8	Very low	190 Å²	190	151.6 Å²	151.6	83%	0.833	79%	0.794	S	S	*	*			trans	170.3	75.3	142.6	-88.6	-65.3	0	0	0	108.5	D471	D471-F473 PolarHBondContact O-N 3.33Å
474	H	29.9	Very low	27.6	Very low	188 Å²	188	151.3 Å²	151.3	87%	0.87	79%	0.791	S	S	*	*			trans	-154.2	140.3	148.3	-104.5	-75.4	0	0	0	110.1
475	T	25.3	Very low	27.8	Very low	113 Å²	113	153 Å²	153	69%	0.693	79%	0.791	S	S	*	*			trans	-51.3	139.6	-175.5	49.9	0	0	0	0	114.6
476	N	27.2	Very low	27.7	Very low	154 Å²	154	154.6 Å²	154.6	82%	0.824	79%	0.792	S	S	*	*				-172.6	139	121.1	-95.8	-19.7	0	0	0	113.1	N478	N476-N478 PolarHBondContact O-N 3.04Å
477	N	25.6	Very low	27.8	Very low	151 Å²	151	153.4 Å²	153.4	81%	0.807	79%	0.788	S	S	*	*			trans	-48.8	118.9	171.7	-69.7	-38.4	0	0	0	110.9
478	N	30.5	Very low	28.3	Very low	153 Å²	153	155.9 Å²	155.9	82%	0.818	79%	0.792	S	S	*	*			trans	-165.7	129	140	-94.5	-24.2	0	0	0	110.7	N476 S480	N476-N478 PolarHBondContact O-N 3.04Å; N478-S480 PolarHBondContact O-N 3.46Å
479	H	27.4	Very low	29	Very low	200 Å²	200	153.2 Å²	153.2	93%	0.926	77%	0.771	S	S	*	*			trans	-61.1	108.2	175.9	-97.3	-87.1	0	0	0	110.6
480	S	30.9	Very low	29.7	Very low	98 Å²	98	146.8 Å²	146.8	69%	0.685	74%	0.738	S	S	*	*			trans	-142.9	117.5	164.1	43.9	0	0	0	0	110.8	N478 V482	N478-S480 PolarHBondContact O-N 3.46Å; S480-V482 PolarHBondContact O-N 2.91Å; S480-V482 VanDerWaalsContact O-N 3.09Å
481	N	27.2	Very low	30.5	Very low	164 Å²	164	142 Å²	142	88%	0.877	71%	0.713	S	S	*	*			trans	-61.2	99.6	-175.9	-75.5	-43	0	0	0	112.4	K483	N481-K483 PolarHBondContact O-N 3.1Å
482	V	27.5	Very low	30.9	Very low	124 Å²	124	138.1 Å²	138.1	75%	0.752	70%	0.695	S	S	*	*			trans	-77.2	103.2	169.3	-178.8	0	0	0	0	109.3	S480 L484	S480-V482 PolarHBondContact O-N 2.91Å; S480-V482 VanDerWaalsContact O-N 3.09Å; V482-L484 PolarHBondContact O-N 2.81Å
483	K	26.2	Very low	31	Very low	188 Å²	188	136.6 Å²	136.6	82%	0.817	69%	0.692	S	S	*	*			trans	-66.8	100.4	167	-94.6	178.8	177.5	171.9	0	109.1	N481 Y485	N481-K483 PolarHBondContact O-N 3.1Å; K483-Y485 PolarHBondContact O-N 3.27Å
484	L	27.2	Very low	31.4	Very low	154 Å²	154	133 Å²	133	81%	0.806	68%	0.679	S	S	*	*			trans	-72.8	109	173.2	-142.8	86.2	0	0	0	109.6	V482 K486	V482-L484 PolarHBondContact O-N 2.81Å; L484-K486 PolarHBondContact O-N 2.86Å; L484-K486 VanDerWaalsContact O-N 3.15Å
485	Y	28	Very low	31.4	Very low	212 Å²	212	131.4 Å²	131.4	83%	0.831	67%	0.672	S	S	*	*			trans	-61.7	115.9	169.3	-72.4	-85.8	0	0	0	109.3	K483 C487	K483-Y485 PolarHBondContact O-N 3.27Å; Y485-C487 PolarHBondContact O-N 3.46Å
486	K	28.3	Very low	31.5	Very low	202 Å²	202	134 Å²	134	88%	0.878	68%	0.681	S	S	*	*			trans	-69.1	93.6	174.1	-96.9	179	175.5	171	0	109.7	L484 K488	L484-K486 PolarHBondContact O-N 2.86Å; L484-K486 VanDerWaalsContact O-N 3.15Å; K486-K488 PolarHBondContact O-N 2.81Å
487	C	28.3	Very low	31.5	Very low	86 Å²	86	134.5 Å²	134.5	58%	0.581	68%	0.676	S	S	*	*			trans	-64.7	115.8	162.3	-77.7	0	0	0	0	109.1	Y485 H489	Y485-C487 PolarHBondContact O-N 3.46Å; C487-H489 PolarHBondContact O-N 3.46Å
488	K	38.2	Very low	31.7	Very low	196 Å²	196	132.4 Å²	132.4	85%	0.852	67%	0.671	S	S	*	*			trans	-74.4	2.8	175.9	-81.2	179.5	177.3	174	0	113.4	K486	K486-K488 PolarHBondContact O-N 2.81Å
489	H	40.7	Very low	31.6	Very low	54 Å²	54	129.8 Å²	129.8	25%	0.25	66%	0.664	C	S	.	*			trans	-94.4	132.7	-178.8	-136	-69.9	0	0	0	111.2	S221 I222 C487	S221-H489 PolarHBondContact O-CE1 3.47Å; S221-H489 PolarHBondContact O-NE2 3.02Å; S221-H489 PolarHBondContact OG-CE1 3Å; I222-H489 WeakPolarHBondContact CA-NE2 3.39Å; I222-H489 HydrophobicContact CB-CB 4.44Å; I222-H489 HydrophobicContact CD1-CB 4.49Å; I222-H489 HydrophobicContact CG1-CB 4.2Å; I222-H489 WeakPolarHBondContact CG1-ND1 3.36Å; I222-H489 HydrophobicContact CG2-CB 3.8Å; C487-H489 PolarHBondContact O-N 3.46Å
490	P	42.2	Very low	31.8	Very low	14 Å²	14	127 Å²	127	9%	0.091	66%	0.656	C	S	.	*	T	Hydrogen-bonded Turn	trans	-91.7	-14.1	-154.2	2.3	18.2	0	0	0	114.3	V492 T493 Y522	P490-V492 VanDerWaalsContact C-N 3.32Å; P490-T493 WeakPolarHBondContact CA-OG1 3.34Å; P490-T493 PolarHBondContact O-OG1 3.37Å; P490-Y522 HydrophobicContact CB-CD1 3.56Å; P490-Y522 HydrophobicContact CB-CD2 4Å; P490-Y522 HydrophobicContact CB-CE1 3.01Å; P490-Y522 HydrophobicContact CB-CE2 3.39Å; P490-Y522 HydrophobicContact CB-CG 4.1Å; P490-Y522 HydrophobicContact CG-CD1 4.31Å; P490-Y522 HydrophobicContact CG-CE1 3.3Å; P490-Y522 HydrophobicContact CG-CE2 3.49Å; P490-Y522 VanDerWaalsContact CG-CE2 3.49Å; P490-Y522 WeakPolarHBondContact CG-OH 3.21Å
491	I	44	Very low	31.8	Very low	50 Å²	50	130.6 Å²	130.6	26%	0.256	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.1	-25.3	-177	-72.9	140.6	0	0	0	110.2	P218 I219 I222	P218-I491 HydrophobicContact CB-CB 4.24Å; P218-I491 HydrophobicContact CB-CD1 3.34Å; P218-I491 HydrophobicContact CB-CG1 3.59Å; P218-I491 HydrophobicContact CB-CG2 3.75Å; P218-I491 HydrophobicContact CG-CG2 4.36Å; P218-I491 WeakPolarHBondContact O-CD1 3.31Å; I219-I491 HydrophobicContact CG1-CG2 4.14Å; I222-I491 HydrophobicContact CD1-CB 4.16Å; I222-I491 HydrophobicContact CD1-CG2 4.24Å
492	V	37	Very low	32.2	Very low	79 Å²	79	131.3 Å²	131.3	48%	0.479	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.7	-30.7	177.8	171.4	0	0	0	0	112.4	I222 P490 M494 Q495	I222-V492 HydrophobicContact CD1-CB 4.33Å; I222-V492 HydrophobicContact CD1-CG2 3.27Å; P490-V492 VanDerWaalsContact C-N 3.32Å; V492-M494 PolarHBondContact O-N 3.12Å; V492-Q495 PolarHBondContact O-N 2.87Å
493	T	32.3	Very low	32.3	Very low	99 Å²	99	134 Å²	134	61%	0.607	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	2.2	177.3	46.6	0	0	0	0	114.9	P490	P490-T493 WeakPolarHBondContact CA-OG1 3.34Å; P490-T493 PolarHBondContact O-OG1 3.37Å
494	M	35.8	Very low	32.5	Very low	115 Å²	115	132.2 Å²	132.2	57%	0.567	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	1.5	175.7	-104.6	-177.2	171.4	0	0	114.1	V492	V492-M494 PolarHBondContact O-N 3.12Å
495	Q	30.5	Very low	32.6	Very low	154 Å²	154	130.3 Å²	130.3	72%	0.72	66%	0.658	S	S	*	*	S	Bend	trans	-112.2	124.8	179	-65.3	-167	-20.4	0	0	111.9	V492	V492-Q495 PolarHBondContact O-N 2.87Å
496	L	27.5	Very low	32.6	Very low	167 Å²	167	127.6 Å²	127.6	87%	0.874	66%	0.658	S	S	*	*			trans	73.1	98.5	159.4	-56.9	159.2	0	0	0	117.2
497	K	25.7	Very low	32.7	Very low	165 Å²	165	125.4 Å²	125.4	72%	0.717	66%	0.655	S	S	*	*			trans	-107.6	109.1	151.1	-151.3	-177.5	-171.5	-170.5	0	107.1	S499 T514	K497-S499 PolarHBondContact O-N 2.78Å; K497-T514 PolarHBondContact NZ-OG1 3.16Å
498	P	30.1	Very low	32.7	Very low	107 Å²	107	131.5 Å²	131.5	70%	0.695	67%	0.671	S	S	*	*			trans	-68.5	129.2	168	0.2	14.5	0	0	0	107.8	N500	P498-N500 PolarHBondContact O-N 3.32Å
499	S	28	Very low	32.1	Very low	97 Å²	97	125.6 Å²	125.6	68%	0.678	67%	0.666	S	S	*	*			trans	-87	93.9	170.9	178.7	0	0	0	0	107.8	K497 H501	K497-S499 PolarHBondContact O-N 2.78Å; S499-H501 PolarHBondContact O-N 2.78Å; S499-H501 VanDerWaalsContact O-N 3.09Å
500	N	32.3	Very low	31.4	Very low	142 Å²	142	129.5 Å²	129.5	76%	0.759	69%	0.688	S	S	*	*			trans	-75.1	94.4	166.9	-74.7	1.9	0	0	0	108.3	P498	P498-N500 PolarHBondContact O-N 3.32Å
501	H	30.9	Very low	30.7	Very low	174 Å²	174	135 Å²	135	81%	0.806	72%	0.721	S	S	*	*			trans	-97.9	88.9	155.9	-89.8	-41.5	0	0	0	107.3	S499	S499-H501 PolarHBondContact O-N 2.78Å; S499-H501 VanDerWaalsContact O-N 3.09Å
502	H	34.8	Very low	29.9	Very low	179 Å²	179	140 Å²	140	83%	0.829	75%	0.745	S	S	*	*			trans	-96.2	118.3	155.5	-96.3	-66.3	0	0	0	107.7	N504	H502-N504 PolarHBondContact O-N 2.67Å
503	H	30.4	Very low	29.4	Very low	179 Å²	179	146 Å²	146	83%	0.829	77%	0.765	S	S	*	*			trans	-51.8	115	161.4	-89.9	-82.8	0	0	0	108.8
504	N	30.6	Very low	29.3	Very low	152 Å²	152	144.6 Å²	144.6	81%	0.813	76%	0.756	S	S	*	*			trans	-145.4	130.5	142.9	-122.5	-10.2	0	0	0	110.7	H502	H502-N504 PolarHBondContact O-N 2.67Å
505	T	29.5	Very low	29	Very low	114 Å²	114	142.2 Å²	142.2	70%	0.699	75%	0.751	S	S	*	*			trans	-35	143.7	173.8	46.6	0	0	0	0	115.1
506	N	28.2	Very low	29.2	Very low	155 Å²	155	146.4 Å²	146.4	83%	0.829	76%	0.76	S	S	*	*			trans	64.7	64.8	158	-61.1	-23.8	0	0	0	118.6
507	L	30.3	Very low	29.5	Very low	156 Å²	156	141.7 Å²	141.7	82%	0.817	74%	0.741	S	S	*	*			trans	-138.9	105.3	148.9	-124.6	100.8	0	0	0	111	G509	L507-G509 PolarHBondContact O-N 3.4Å
508	K	27.4	Very low	30.1	Very low	213 Å²	213	139.7 Å²	139.7	93%	0.926	73%	0.734	S	S	*	*			trans	-53.4	119.7	169.6	-83	173.9	172.4	173.8	0	109.8
509	G	25.2	Very low	30.6	Very low	73 Å²	73	138 Å²	138	75%	0.753	72%	0.723	S	S	*	*			trans	63.1	70	144.5	0	0	0	0	0	118	L507	L507-G509 PolarHBondContact O-N 3.4Å
510	I	26.7	Very low	31.7	Very low	136 Å²	136	136.8 Å²	136.8	70%	0.697	71%	0.712	S	S	*	*			trans	-125.8	88.3	150	-56.3	177.9	0	0	0	107.6	M512	I510-M512 VanDerWaalsContact C-N 3.28Å; I510-M512 HydrophobicContact CG2-CG 4.35Å; I510-M512 PolarHBondContact O-N 3.2Å
511	T	27.3	Very low	32.4	Very low	129 Å²	129	134.7 Å²	134.7	79%	0.791	70%	0.699	S	S	*	*			trans	-67.8	91.7	164.5	39	0	0	0	0	107.8	K513	T511-K513 VanDerWaalsContact C-N 3.28Å; T511-K513 PolarHBondContact O-N 2.93Å
512	M	26.5	Very low	33.5	Very low	155 Å²	155	128.9 Å²	128.9	76%	0.764	67%	0.67	S	S	*	*			trans	-61.3	98.2	163.6	-79	-163	100.5	0	0	107.7	I510 T514	I510-M512 VanDerWaalsContact C-N 3.28Å; I510-M512 HydrophobicContact CG2-CG 4.35Å; I510-M512 PolarHBondContact O-N 3.2Å; M512-T514 HydrophobicContact CB-CG2 4.12Å; M512-T514 PolarHBondContact O-N 2.83Å
513	K	26.6	Very low	34.9	Very low	204 Å²	204	121.1 Å²	121.1	89%	0.887	64%	0.636	S	S	*	*			trans	-61.3	72.3	163.7	-78.9	179.7	176.9	172.3	0	108.7	T511 S515	T511-K513 VanDerWaalsContact C-N 3.28Å; T511-K513 PolarHBondContact O-N 2.93Å; K513-S515 PolarHBondContact O-N 3.26Å
514	T	31.5	Very low	36.8	Very low	70 Å²	70	115.5 Å²	115.5	43%	0.429	61%	0.612	S	S	.	*			trans	-75.5	110.9	168.6	60.2	0	0	0	0	107.4	K497 M512 R516	K497-T514 PolarHBondContact NZ-OG1 3.16Å; M512-T514 HydrophobicContact CB-CG2 4.12Å; M512-T514 PolarHBondContact O-N 2.83Å; T514-R516 PolarHBondContact O-N 2.7Å
515	S	29.9	Very low	38.7	Very low	65 Å²	65	110 Å²	110	46%	0.455	58%	0.582	S	S	.	*			trans	-33.8	94.4	-179	56.6	0	0	0	0	115.2	K513 S517 H518	K513-S515 PolarHBondContact O-N 3.26Å; S515-S517 PolarHBondContact O-N 3.28Å; S515-H518 WeakPolarHBondContact CB-CD2 3.48Å; S515-H518 PolarHBondContact OG-CD2 2.96Å
516	R	34.9	Very low	40.7	Very low	242 Å²	242	106.6 Å²	106.6	91%	0.913	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-8.6	163.8	-81.1	-178.1	175.5	167.3	-0.6	112.7	T514	T514-R516 PolarHBondContact O-N 2.7Å
517	S	32	Very low	42.9	Very low	69 Å²	69	104.8 Å²	104.8	48%	0.483	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-22.4	-172.4	51.1	0	0	0	0	115.8	S515 T520 M521	S515-S517 PolarHBondContact O-N 3.28Å; S517-T520 PolarHBondContact O-OG1 3.41Å; S517-M521 VanDerWaalsContact O-CB 3.31Å; S517-M521 WeakPolarHBondContact O-CB 3.4Å; S517-M521 PolarHBondContact O-N 3.23Å
518	H	39.8	Very low	45.3	Very low	123 Å²	123	99.1 Å²	99.1	57%	0.569	51%	0.509	S	S	*	.	H	α-helix	trans	-74.5	-43.2	-168.6	-81.7	-58.2	0	0	0	115.8	S515 Y522	S515-H518 WeakPolarHBondContact CB-CD2 3.48Å; S515-H518 PolarHBondContact OG-CD2 2.96Å; H518-Y522 PolarHBondContact O-N 3.07Å
519	P	41	Very low	47.9	Very low	72 Å²	72	89.8 Å²	89.8	47%	0.468	47%	0.469	S	S	.	.	H	α-helix	trans	-70.8	-34.3	-177.8	-16.7	29.5	0	0	0	113.2	S523	P519-S523 PolarHBondContact O-N 3.39Å
520	T	50.2	Low	50.8	Low	71 Å²	71	86.6 Å²	86.6	44%	0.436	44%	0.435	S	S	.	.	H	α-helix	trans	-72.9	-44	-178.8	51.7	0	0	0	0	111.3	S517 Y522 S523 N524	S517-T520 PolarHBondContact O-OG1 3.41Å; T520-Y522 VanDerWaalsContact C-N 3.31Å; T520-Y522 PolarHBondContact O-N 3.49Å; T520-S523 PolarHBondContact O-N 2.96Å; T520-S523 PolarHBondContact O-OG 3.19Å; T520-N524 PolarHBondContact O-N 2.81Å; T520-N524 PolarHBondContact O-ND2 3.24Å
521	M	46.5	Very low	53.6	Low	98 Å²	98	83.1 Å²	83.1	48%	0.483	42%	0.417	S	S	.	.	H	α-helix	trans	-58.9	-43.7	176.6	-164.6	179.6	98.5	0	0	111.3	S517 S523 N524 E525	S517-M521 VanDerWaalsContact O-CB 3.31Å; S517-M521 WeakPolarHBondContact O-CB 3.4Å; S517-M521 PolarHBondContact O-N 3.23Å; M521-S523 PolarHBondContact O-N 3.46Å; M521-N524 PolarHBondContact O-N 2.84Å; M521-E525 PolarHBondContact O-N 2.97Å; M521-E525 VanDerWaalsContact O-N 3.12Å
522	Y	54.1	Low	56.5	Low	51 Å²	51	77.3 Å²	77.3	20%	0.2	38%	0.381	C	S	.	.	H	α-helix	trans	-58	-49.3	177.6	-167.6	-76.6	0	0	0	113	L142 Y143 P490 H518 T520 N524 E525 M526	L142-Y522 HydrophobicContact CD1-CE2 3.61Å; L142-Y522 HydrophobicContact CD2-CD2 3.61Å; L142-Y522 HydrophobicContact CD2-CE2 2.96Å; L142-Y522 VanDerWaalsContact CD2-CZ 3.42Å; L142-Y522 WeakPolarHBondContact CD2-OH 3.28Å; L142-Y522 HydrophobicContact CG-CE2 3.61Å; L142-Y522 WeakPolarHBondContact CG-OH 3.39Å; Y143-Y522 WeakPolarHBondContact CE1-OH 3.39Å; Y143-Y522 AromaticContact CZ-CZ 3.75Å; Y143-Y522 WeakPolarHBondContact OH-CE1 3.35Å; Y143-Y522 PolarHBondContact OH-OH 2.99Å; P490-Y522 HydrophobicContact CB-CD1 3.56Å; P490-Y522 HydrophobicContact CB-CD2 4Å; P490-Y522 HydrophobicContact CB-CE1 3.01Å; P490-Y522 HydrophobicContact CB-CE2 3.39Å; P490-Y522 HydrophobicContact CB-CG 4.1Å; P490-Y522 HydrophobicContact CG-CD1 4.31Å; P490-Y522 HydrophobicContact CG-CE1 3.3Å; P490-Y522 HydrophobicContact CG-CE2 3.49Å; P490-Y522 VanDerWaalsContact CG-CE2 3.49Å; P490-Y522 WeakPolarHBondContact CG-OH 3.21Å; H518-Y522 PolarHBondContact O-N 3.07Å; T520-Y522 VanDerWaalsContact C-N 3.31Å; T520-Y522 PolarHBondContact O-N 3.49Å; Y522-N524 VanDerWaalsContact C-N 3.28Å; Y522-N524 PolarHBondContact O-N 2.96Å; Y522-E525 PolarHBondContact O-N 2.93Å; Y522-M526 HydrophobicContact CE1-CG 3.9Å; Y522-M526 PolarHBondContact O-N 2.94Å; Y522-M526 VanDerWaalsContact O-N 3.09Å
523	S	65.1	Low	59.5	Low	17 Å²	17	70.2 Å²	70.2	12%	0.119	35%	0.346	C	S	.	.	H	α-helix	trans	-65.6	-31.9	-178.1	71.6	0	0	0	0	113.2	R378 P519 T520 M521 R527	R378-S523 PolarHBondContact NH1-OG 3.22Å; R378-S523 PolarHBondContact NH2-OG 3.48Å; P519-S523 PolarHBondContact O-N 3.39Å; T520-S523 PolarHBondContact O-N 2.96Å; T520-S523 PolarHBondContact O-OG 3.19Å; M521-S523 PolarHBondContact O-N 3.46Å; S523-R527 WeakPolarHBondContact O-CB 3.23Å; S523-R527 PolarHBondContact O-N 2.9Å; S523-R527 VanDerWaalsContact O-N 3.13Å
524	N	68.8	Low	62.4	Low	60 Å²	60	61.9 Å²	61.9	32%	0.321	31%	0.311	S	S	.	.	H	α-helix	trans	-71.5	-38.3	176.4	-72.5	-23.1	0	0	0	111.3	T520 M521 Y522 R527 Q528	T520-N524 PolarHBondContact O-N 2.81Å; T520-N524 PolarHBondContact O-ND2 3.24Å; M521-N524 PolarHBondContact O-N 2.84Å; Y522-N524 VanDerWaalsContact C-N 3.28Å; Y522-N524 PolarHBondContact O-N 2.96Å; N524-R527 PolarHBondContact O-N 2.98Å; N524-R527 PolarHBondContact OD1-NH2 3.04Å; N524-Q528 WeakPolarHBondContact O-CB 3.4Å; N524-Q528 VanDerWaalsContact O-CG 3.25Å; N524-Q528 WeakPolarHBondContact O-CG 3.31Å; N524-Q528 PolarHBondContact O-N 3.42Å
525	E	70.6	Confident	65.3	Low	38 Å²	38	61.3 Å²	61.3	18%	0.178	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-42.2	176.1	-70.9	-171.8	-175.6	0	0	112.1	Y143 M521 Y522 Q528 L529 K599	Y143-E525 HydrophobicContact CE2-CB 4.28Å; M521-E525 PolarHBondContact O-N 2.97Å; M521-E525 VanDerWaalsContact O-N 3.12Å; Y522-E525 PolarHBondContact O-N 2.93Å; E525-Q528 PolarHBondContact O-N 2.86Å; E525-L529 PolarHBondContact O-N 3.39Å; E525-K599 IonicContact OE2-NZ 3.97Å
526	M	71.7	Confident	68.3	Low	41 Å²	41	58.4 Å²	58.4	20%	0.202	28%	0.284	C	S	.	.	H	α-helix	trans	-56.1	-53	172.5	-103.1	-39.5	-138.3	0	0	111.4	Y143 V214 Y522 Q528 L529 T530	Y143-M526 HydrophobicContact CD1-SD 3.9Å; Y143-M526 HydrophobicContact CE1-CE 3.79Å; Y143-M526 HydrophobicContact CE1-CG 4.03Å; Y143-M526 HydrophobicContact CE1-SD 3.07Å; Y143-M526 WeakPolarHBondContact CE1-SD 3.47Å; Y143-M526 HydrophobicContact CE2-SD 4.18Å; Y143-M526 WeakPolarHBondContact OH-CG 3.47Å; Y143-M526 PolarHBondContact OH-SD 3.09Å; V214-M526 HydrophobicContact CG1-CE 3.71Å; Y522-M526 HydrophobicContact CE1-CG 3.9Å; Y522-M526 PolarHBondContact O-N 2.94Å; Y522-M526 VanDerWaalsContact O-N 3.09Å; M526-Q528 VanDerWaalsContact C-N 3.28Å; M526-Q528 PolarHBondContact O-N 2.83Å; M526-L529 PolarHBondContact O-N 3.3Å; M526-L529 VanDerWaalsContact O-N 3.16Å; M526-T530 PolarHBondContact O-N 3.37Å; M526-T530 PolarHBondContact O-OG1 2.9Å
527	R	76.1	Confident	71	Confident	117 Å²	117	46.9 Å²	46.9	44%	0.442	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-41.5	-177.1	-173.3	179.1	67.1	-142.7	-3.5	111.2	S523 N524 T530 I531	S523-R527 WeakPolarHBondContact O-CB 3.23Å; S523-R527 PolarHBondContact O-N 2.9Å; S523-R527 VanDerWaalsContact O-N 3.13Å; N524-R527 PolarHBondContact O-N 2.98Å; N524-R527 PolarHBondContact OD1-NH2 3.04Å; R527-T530 PolarHBondContact O-N 3.14Å; R527-I531 HydrophobicContact CG-CD1 3.85Å; R527-I531 HydrophobicContact CG-CG1 4.4Å; R527-I531 WeakPolarHBondContact O-CG1 3.41Å; R527-I531 PolarHBondContact O-N 3.26Å
528	Q	80	Confident	73.9	Confident	38 Å²	38	46 Å²	46	18%	0.178	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-42.1	177.3	-76	175.4	15.7	0	0	112.5	N524 E525 M526 I531 L532 T598	N524-Q528 WeakPolarHBondContact O-CB 3.4Å; N524-Q528 VanDerWaalsContact O-CG 3.25Å; N524-Q528 WeakPolarHBondContact O-CG 3.31Å; N524-Q528 PolarHBondContact O-N 3.42Å; E525-Q528 PolarHBondContact O-N 2.86Å; M526-Q528 VanDerWaalsContact C-N 3.28Å; M526-Q528 PolarHBondContact O-N 2.83Å; Q528-I531 PolarHBondContact O-N 3.39Å; Q528-L532 VanDerWaalsContact O-CB 3.29Å; Q528-L532 WeakPolarHBondContact O-CB 3.12Å; Q528-L532 PolarHBondContact O-N 2.85Å; Q528-T598 VanDerWaalsContact CD-OG1 3.26Å; Q528-T598 PolarHBondContact NE2-OG1 3.02Å; Q528-T598 VanDerWaalsContact NE2-OG1 3.15Å; Q528-T598 PolarHBondContact OE1-OG1 3.27Å
529	L	82.5	Confident	76.4	Confident	16 Å²	16	41.7 Å²	41.7	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-45.2	175.5	-179.3	63.1	0	0	0	110.7	Y143 E525 M526 I531 L532 L533	Y143-L529 HydrophobicContact CD1-CD2 4.32Å; Y143-L529 HydrophobicContact CD2-CD2 3.88Å; Y143-L529 HydrophobicContact CG-CD2 3.68Å; E525-L529 PolarHBondContact O-N 3.39Å; M526-L529 PolarHBondContact O-N 3.3Å; M526-L529 VanDerWaalsContact O-N 3.16Å; L529-I531 PolarHBondContact O-N 3.48Å; L529-L532 WeakPolarHBondContact O-CB 3.32Å; L529-L532 PolarHBondContact O-N 3.35Å; L529-L533 HydrophobicContact CD1-CD1 3.88Å; L529-L533 HydrophobicContact CD1-CG 4.2Å; L529-L533 HydrophobicContact CG-CD1 3.87Å; L529-L533 WeakPolarHBondContact O-CG 3.45Å; L529-L533 PolarHBondContact O-N 2.83Å
530	T	85	Confident	78.9	Confident	7 Å²	7	38.3 Å²	38.3	4%	0.043	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-46.9	176.7	-57.7	0	0	0	0	112.1	I215 I367 M526 R527 L532 L533 M534	I215-T530 HydrophobicContact CD1-CG2 3.61Å; I367-T530 HydrophobicContact CG2-CG2 3.56Å; M526-T530 PolarHBondContact O-N 3.37Å; M526-T530 PolarHBondContact O-OG1 2.9Å; R527-T530 PolarHBondContact O-N 3.14Å; T530-L532 VanDerWaalsContact C-N 3.29Å; T530-L532 PolarHBondContact O-N 3.29Å; T530-L533 PolarHBondContact O-N 3.33Å; T530-M534 HydrophobicContact CG2-CG 4.48Å; T530-M534 HydrophobicContact CG2-SD 4.03Å; T530-M534 WeakPolarHBondContact O-CG 3.31Å; T530-M534 PolarHBondContact O-N 2.86Å
531	I	85.9	Confident	80.9	Confident	63 Å²	63	35.8 Å²	35.8	32%	0.323	18%	0.177	S	C	.	.	H	α-helix	trans	-59.7	-44.1	177.4	-67	165	0	0	0	110.2	R527 Q528 L529 L533 M534 L535 V596	R527-I531 HydrophobicContact CG-CD1 3.85Å; R527-I531 HydrophobicContact CG-CG1 4.4Å; R527-I531 WeakPolarHBondContact O-CG1 3.41Å; R527-I531 PolarHBondContact O-N 3.26Å; Q528-I531 PolarHBondContact O-N 3.39Å; L529-I531 PolarHBondContact O-N 3.48Å; I531-L533 VanDerWaalsContact C-N 3.31Å; I531-L533 PolarHBondContact O-N 3.19Å; I531-M534 PolarHBondContact O-N 3.33Å; I531-L535 HydrophobicContact CG2-CD1 3.94Å; I531-L535 HydrophobicContact CG2-CG 4.38Å; I531-L535 VanDerWaalsContact O-CG 3.32Å; I531-L535 WeakPolarHBondContact O-CG 3.42Å; I531-L535 PolarHBondContact O-N 3.09Å; I531-V596 HydrophobicContact CB-CG1 4.38Å; I531-V596 HydrophobicContact CG2-CG1 3.78Å
532	L	88.9	Confident	83.1	Confident	7 Å²	7	36.9 Å²	36.9	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-56.8	-47.5	178.3	-171.9	69.7	0	0	0	111.7	Q528 L529 T530 L535 I536 Y593 V596	Q528-L532 VanDerWaalsContact O-CB 3.29Å; Q528-L532 WeakPolarHBondContact O-CB 3.12Å; Q528-L532 PolarHBondContact O-N 2.85Å; L529-L532 WeakPolarHBondContact O-CB 3.32Å; L529-L532 PolarHBondContact O-N 3.35Å; T530-L532 VanDerWaalsContact C-N 3.29Å; T530-L532 PolarHBondContact O-N 3.29Å; L532-L535 PolarHBondContact O-N 2.98Å; L532-I536 WeakPolarHBondContact O-CG1 3.26Å; L532-I536 PolarHBondContact O-N 3.27Å; L532-Y593 HydrophobicContact CD1-CD1 3.52Å; L532-Y593 HydrophobicContact CD1-CE1 4.18Å; L532-Y593 HydrophobicContact CD2-CD1 3.64Å; L532-Y593 HydrophobicContact CD2-CE1 4.03Å; L532-Y593 HydrophobicContact CG-CD1 3.81Å; L532-Y593 HydrophobicContact CG-CE1 4.11Å; L532-V596 HydrophobicContact CD1-CB 4.3Å
533	L	87.6	Confident	85	Confident	5 Å²	5	35 Å²	35	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-72	-35.1	-176.3	-64.2	174.3	0	0	0	112.4	L150 I207 R211 L529 T530 I531 L535 I536 S537	L150-L533 HydrophobicContact CD1-CD2 4.22Å; L150-L533 HydrophobicContact CD2-CD2 3.96Å; L150-L533 HydrophobicContact CG-CD2 4.42Å; I207-L533 HydrophobicContact CD1-CD1 4.02Å; I207-L533 HydrophobicContact CD1-CD2 3.27Å; I207-L533 HydrophobicContact CD1-CG 4.28Å; I207-L533 HydrophobicContact CG1-CD1 4.06Å; I207-L533 HydrophobicContact CG1-CD2 3.96Å; R211-L533 VanDerWaalsContact CD-CD1 3.42Å; R211-L533 HydrophobicContact CG-CB 4.4Å; R211-L533 HydrophobicContact CG-CD1 3.25Å; R211-L533 HydrophobicContact CG-CG 4.42Å; L529-L533 HydrophobicContact CD1-CD1 3.88Å; L529-L533 HydrophobicContact CD1-CG 4.2Å; L529-L533 HydrophobicContact CG-CD1 3.87Å; L529-L533 WeakPolarHBondContact O-CG 3.45Å; L529-L533 PolarHBondContact O-N 2.83Å; T530-L533 PolarHBondContact O-N 3.33Å; I531-L533 VanDerWaalsContact C-N 3.31Å; I531-L533 PolarHBondContact O-N 3.19Å; L533-L535 VanDerWaalsContact C-N 3.34Å; L533-I536 HydrophobicContact CD2-CD1 3.86Å; L533-S537 WeakPolarHBondContact O-CB 3.48Å; L533-S537 PolarHBondContact O-N 3.44Å; L533-S537 VanDerWaalsContact O-N 3.15Å; L533-S537 PolarHBondContact O-OG 2.97Å
534	M	89.5	Confident	86.1	Confident	29 Å²	29	34.2 Å²	34.2	14%	0.143	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-41.5	169.6	-72.1	171.1	55.6	0	0	111.5	I367 L368 T530 I531 S537 C538	I367-M534 HydrophobicContact CG2-CG 3.96Å; I367-M534 HydrophobicContact CG2-SD 3.66Å; L368-M534 HydrophobicContact CD1-CE 4.11Å; L368-M534 HydrophobicContact CD2-CE 3.35Å; L368-M534 HydrophobicContact CD2-SD 4.41Å; L368-M534 HydrophobicContact CG-CE 3.55Å; T530-M534 HydrophobicContact CG2-CG 4.48Å; T530-M534 HydrophobicContact CG2-SD 4.03Å; T530-M534 WeakPolarHBondContact O-CG 3.31Å; T530-M534 PolarHBondContact O-N 2.86Å; I531-M534 PolarHBondContact O-N 3.33Å; M534-S537 PolarHBondContact O-N 3.02Å; M534-C538 WeakPolarHBondContact O-CB 3.49Å; M534-C538 PolarHBondContact O-N 3.48Å; M534-C538 PolarHBondContact O-SG 2.78Å
535	L	92.2	Very high	87.1	Confident	59 Å²	59	33.1 Å²	33.1	31%	0.309	17%	0.171	S	C	.	.	H	α-helix	trans	-64.7	-46.4	179.5	-75.6	170.1	0	0	0	112.6	I531 L532 L533 S537 C538 I539 V596	I531-L535 HydrophobicContact CG2-CD1 3.94Å; I531-L535 HydrophobicContact CG2-CG 4.38Å; I531-L535 VanDerWaalsContact O-CG 3.32Å; I531-L535 WeakPolarHBondContact O-CG 3.42Å; I531-L535 PolarHBondContact O-N 3.09Å; L532-L535 PolarHBondContact O-N 2.98Å; L533-L535 VanDerWaalsContact C-N 3.34Å; L535-S537 PolarHBondContact O-N 2.94Å; L535-C538 PolarHBondContact O-N 2.98Å; L535-I539 WeakPolarHBondContact O-CB 2.82Å; L535-I539 WeakPolarHBondContact O-CG1 3.25Å; L535-I539 PolarHBondContact O-N 3.28Å; L535-V596 HydrophobicContact CD1-CB 4.29Å; L535-V596 HydrophobicContact CD1-CG1 4.33Å; L535-V596 HydrophobicContact CD1-CG2 3.52Å
536	I	92	Very high	88	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-54	-47.2	174.3	-62.6	164	0	0	0	109.6	L150 I204 L532 L533 I539 F540 Y593	L150-I536 HydrophobicContact CD2-CD1 3.71Å; I204-I536 HydrophobicContact CD1-CG2 4.46Å; L532-I536 WeakPolarHBondContact O-CG1 3.26Å; L532-I536 PolarHBondContact O-N 3.27Å; L533-I536 HydrophobicContact CD2-CD1 3.86Å; I536-I539 PolarHBondContact O-N 2.78Å; I536-F540 WeakPolarHBondContact O-CB 3.16Å; I536-F540 PolarHBondContact O-N 3.29Å; I536-Y593 HydrophobicContact CD1-CE1 3.53Å; I536-Y593 HydrophobicContact CG1-CE1 3.94Å
537	S	91.7	Very high	88.6	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-66.7	-42.7	-177.5	-56.4	0	0	0	0	112.9	T208 N364 L533 M534 L535 F540 L541	T208-S537 WeakPolarHBondContact CG2-OG 3.37Å; N364-S537 WeakPolarHBondContact ND2-CB 3.05Å; L533-S537 WeakPolarHBondContact O-CB 3.48Å; L533-S537 PolarHBondContact O-N 3.44Å; L533-S537 VanDerWaalsContact O-N 3.15Å; L533-S537 PolarHBondContact O-OG 2.97Å; M534-S537 PolarHBondContact O-N 3.02Å; L535-S537 PolarHBondContact O-N 2.94Å; S537-F540 PolarHBondContact O-N 2.96Å; S537-L541 VanDerWaalsContact O-CG 3.32Å; S537-L541 WeakPolarHBondContact O-CG 3.46Å; S537-L541 PolarHBondContact O-N 3.12Å
538	C	91.9	Very high	88.9	Confident	51 Å²	51	27 Å²	27	35%	0.345	15%	0.152	S	C	.	.	H	α-helix	trans	-65	-40.6	175.8	-70.9	0	0	0	0	111.6	M534 L535 L541 I542	M534-C538 WeakPolarHBondContact O-CB 3.49Å; M534-C538 PolarHBondContact O-N 3.48Å; M534-C538 PolarHBondContact O-SG 2.78Å; L535-C538 PolarHBondContact O-N 2.98Å; C538-L541 PolarHBondContact O-N 2.92Å; C538-I542 WeakPolarHBondContact O-CD1 3.24Å; C538-I542 VanDerWaalsContact O-CG1 3.25Å; C538-I542 WeakPolarHBondContact O-CG1 3.48Å; C538-I542 PolarHBondContact O-N 2.77Å
539	I	93.9	Very high	89.1	Confident	31 Å²	31	29.9 Å²	29.9	16%	0.159	17%	0.168	C	C	.	.	H	α-helix	trans	-66.2	-42.2	178.1	-74.7	167.4	0	0	0	110.5	L535 I536 L541 I542 T543 I588 L592	L535-I539 WeakPolarHBondContact O-CB 2.82Å; L535-I539 WeakPolarHBondContact O-CG1 3.25Å; L535-I539 PolarHBondContact O-N 3.28Å; I536-I539 PolarHBondContact O-N 2.78Å; I539-L541 PolarHBondContact O-N 3.33Å; I539-I542 PolarHBondContact O-N 3.33Å; I539-T543 HydrophobicContact CG2-CG2 4.1Å; I539-T543 WeakPolarHBondContact O-CB 3.22Å; I539-T543 WeakPolarHBondContact O-CG2 3.44Å; I539-T543 PolarHBondContact O-N 3.09Å; I539-T543 PolarHBondContact O-OG1 3.35Å; I539-I588 HydrophobicContact CG2-CG2 3.91Å; I539-L592 HydrophobicContact CD1-CD1 3.33Å; I539-L592 HydrophobicContact CD1-CD2 3.32Å; I539-L592 HydrophobicContact CD1-CG 3.91Å
540	F	92	Very high	88.9	Confident	1 Å²	1	29.4 Å²	29.4	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-54.2	-50.7	171.3	176.1	-99.1	0	0	0	111.5	V201 I204 P356 I360 I536 S537 I542 T543 T544 N585	V201-F540 HydrophobicContact CB-CE2 4.41Å; V201-F540 HydrophobicContact CB-CZ 4.18Å; V201-F540 HydrophobicContact CG1-CE1 4.2Å; V201-F540 HydrophobicContact CG1-CE2 4.24Å; V201-F540 HydrophobicContact CG1-CZ 3.55Å; V201-F540 HydrophobicContact CG2-CE2 3.72Å; V201-F540 HydrophobicContact CG2-CZ 3.75Å; I204-F540 HydrophobicContact CD1-CB 4.18Å; I204-F540 HydrophobicContact CD1-CD2 3.78Å; I204-F540 HydrophobicContact CD1-CE2 4.43Å; I204-F540 HydrophobicContact CD1-CG 4.01Å; P356-F540 HydrophobicContact CB-CE1 4.44Å; I360-F540 HydrophobicContact CD1-CD1 3.65Å; I360-F540 HydrophobicContact CD1-CE1 3.81Å; I536-F540 WeakPolarHBondContact O-CB 3.16Å; I536-F540 PolarHBondContact O-N 3.29Å; S537-F540 PolarHBondContact O-N 2.96Å; F540-I542 PolarHBondContact O-N 3.49Å; F540-T543 PolarHBondContact O-N 3.34Å; F540-T543 PolarHBondContact O-OG1 2.84Å; F540-T544 HydrophobicContact CD2-CG2 3.83Å; F540-T544 HydrophobicContact CE2-CG2 3.52Å; F540-T544 HydrophobicContact CG-CG2 4.47Å; F540-T544 HydrophobicContact CZ-CG2 3.93Å; F540-T544 WeakPolarHBondContact O-CB 3.31Å; F540-T544 WeakPolarHBondContact O-CG2 3.09Å; F540-T544 PolarHBondContact O-N 3.47Å; F540-T544 PolarHBondContact O-OG1 2.74Å; F540-N585 VanDerWaalsContact CA-OD1 3.28Å; F540-N585 WeakPolarHBondContact CA-OD1 3.35Å; F540-N585 PolarHBondContact N-OD1 3.3Å
541	L	92.3	Very high	88.3	Confident	18 Å²	18	30.7 Å²	30.7	9%	0.094	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-44.3	178.6	-66.4	173.8	0	0	0	112.3	F357 I360 L361 S537 C538 I539 A545	F357-L541 HydrophobicContact CB-CD2 4.09Å; F357-L541 HydrophobicContact CD1-CD2 4.23Å; F357-L541 HydrophobicContact CD2-CB 4.4Å; F357-L541 HydrophobicContact CD2-CD2 3.26Å; F357-L541 HydrophobicContact CD2-CG 4.4Å; F357-L541 HydrophobicContact CE1-CD2 4.5Å; F357-L541 HydrophobicContact CE2-CB 4.01Å; F357-L541 HydrophobicContact CE2-CD2 3.59Å; F357-L541 HydrophobicContact CE2-CG 4.35Å; F357-L541 HydrophobicContact CG-CD2 3.6Å; F357-L541 HydrophobicContact CZ-CD2 4.21Å; I360-L541 HydrophobicContact CB-CD2 4.25Å; I360-L541 HydrophobicContact CG2-CD1 3.96Å; I360-L541 HydrophobicContact CG2-CD2 4.15Å; I360-L541 HydrophobicContact CG2-CG 4.02Å; L361-L541 HydrophobicContact CB-CD1 4.48Å; L361-L541 HydrophobicContact CD1-CD1 4.43Å; S537-L541 VanDerWaalsContact O-CG 3.32Å; S537-L541 WeakPolarHBondContact O-CG 3.46Å; S537-L541 PolarHBondContact O-N 3.12Å; C538-L541 PolarHBondContact O-N 2.92Å; I539-L541 PolarHBondContact O-N 3.33Å; L541-A545 WeakPolarHBondContact O-CB 3.29Å; L541-A545 PolarHBondContact O-N 3.26Å
542	I	93.1	Very high	87.7	Confident	121 Å²	121	30 Å²	30	62%	0.621	17%	0.167	S	C	*	.	H	α-helix	trans	-67.8	-44.8	-177.6	-69.6	164.5	0	0	0	111.4	C538 I539 F540 P546	C538-I542 WeakPolarHBondContact O-CD1 3.24Å; C538-I542 VanDerWaalsContact O-CG1 3.25Å; C538-I542 WeakPolarHBondContact O-CG1 3.48Å; C538-I542 PolarHBondContact O-N 2.77Å; I539-I542 PolarHBondContact O-N 3.33Å; F540-I542 PolarHBondContact O-N 3.49Å; I542-P546 WeakPolarHBondContact O-CD 3.3Å
543	T	93.4	Very high	87	Confident	11 Å²	11	33.3 Å²	33.3	7%	0.067	18%	0.184	C	C	.	.	H	α-helix	trans	-77.5	-26.4	-175.2	52.7	0	0	0	0	112.8	I539 F540 L581 N585	I539-T543 HydrophobicContact CG2-CG2 4.1Å; I539-T543 WeakPolarHBondContact O-CB 3.22Å; I539-T543 WeakPolarHBondContact O-CG2 3.44Å; I539-T543 PolarHBondContact O-N 3.09Å; I539-T543 PolarHBondContact O-OG1 3.35Å; F540-T543 PolarHBondContact O-N 3.34Å; F540-T543 PolarHBondContact O-OG1 2.84Å; T543-L581 WeakPolarHBondContact CB-O 2.98Å; T543-N585 WeakPolarHBondContact OG1-CB 3.27Å
544	T	88.4	Confident	86	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-93.1	-23.8	177.3	61.2	0	0	0	0	113.5	F540 P546 I547 V548	F540-T544 HydrophobicContact CD2-CG2 3.83Å; F540-T544 HydrophobicContact CE2-CG2 3.52Å; F540-T544 HydrophobicContact CG-CG2 4.47Å; F540-T544 HydrophobicContact CZ-CG2 3.93Å; F540-T544 WeakPolarHBondContact O-CB 3.31Å; F540-T544 WeakPolarHBondContact O-CG2 3.09Å; F540-T544 PolarHBondContact O-N 3.47Å; F540-T544 PolarHBondContact O-OG1 2.74Å; T544-P546 VanDerWaalsContact C-CD 3.43Å; T544-P546 VanDerWaalsContact C-N 3.32Å; T544-I547 WeakPolarHBondContact O-CG2 3.4Å; T544-I547 PolarHBondContact O-N 2.85Å; T544-I547 VanDerWaalsContact O-N 3.08Å; T544-V548 WeakPolarHBondContact O-CG2 3.42Å; T544-V548 PolarHBondContact O-N 3.21Å
545	A	90	Very high	84.9	Confident	37 Å²	37	35.9 Å²	35.9	31%	0.306	20%	0.202	S	C	.	.	H	α-helix	trans	-49.7	-42.2	179.3	0	0	0	0	0	114.7	F357 L541 I547 V548 L549	F357-A545 HydrophobicContact CE2-CB 4.29Å; L541-A545 WeakPolarHBondContact O-CB 3.29Å; L541-A545 PolarHBondContact O-N 3.26Å; A545-I547 PolarHBondContact O-N 3.48Å; A545-V548 WeakPolarHBondContact O-CB 3.38Å; A545-V548 PolarHBondContact O-N 3.31Å; A545-L549 WeakPolarHBondContact O-CB 3.29Å; A545-L549 PolarHBondContact O-N 3.38Å
546	P	90.3	Very high	83.6	Confident	40 Å²	40	42.1 Å²	42.1	26%	0.26	22%	0.222	S	C	.	.	H	α-helix	trans	-59.9	-45.6	177.4	-26.4	36.8	0	0	0	112.9	I542 T544 V548 L549 I550 A578 L581	I542-P546 WeakPolarHBondContact O-CD 3.3Å; T544-P546 VanDerWaalsContact C-CD 3.43Å; T544-P546 VanDerWaalsContact C-N 3.32Å; P546-V548 PolarHBondContact O-N 3.14Å; P546-L549 PolarHBondContact O-N 3.45Å; P546-I550 VanDerWaalsContact O-CG1 3.28Å; P546-I550 WeakPolarHBondContact O-CG1 3.41Å; P546-I550 PolarHBondContact O-N 2.97Å; P546-A578 HydrophobicContact CB-CB 3.71Å; P546-L581 HydrophobicContact CG-CD1 3.94Å
547	I	84.4	Confident	81.9	Confident	8 Å²	8	47.4 Å²	47.4	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-35.7	179.7	-168.7	168.1	0	0	0	111.2	T544 A545 L549 I550 K551 A578 E579 M582	T544-I547 WeakPolarHBondContact O-CG2 3.4Å; T544-I547 PolarHBondContact O-N 2.85Å; T544-I547 VanDerWaalsContact O-N 3.08Å; A545-I547 PolarHBondContact O-N 3.48Å; I547-L549 VanDerWaalsContact C-N 3.31Å; I547-L549 PolarHBondContact O-N 2.83Å; I547-I550 PolarHBondContact O-N 3.02Å; I547-K551 WeakPolarHBondContact O-CB 3.35Å; I547-K551 WeakPolarHBondContact O-CG 3.41Å; I547-K551 PolarHBondContact O-N 3.04Å; I547-A578 HydrophobicContact CB-CB 4.07Å; I547-E579 HydrophobicContact CD1-CG 4.45Å; I547-M582 HydrophobicContact CD1-SD 3.72Å
548	V	81.7	Confident	80	Confident	18 Å²	18	54 Å²	54	11%	0.109	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-46.8	172.5	-175.7	0	0	0	0	110.5	Y354 T544 A545 P546 L552	Y354-V548 HydrophobicContact CD1-CG1 3.48Å; Y354-V548 VanDerWaalsContact CD1-CG1 3.48Å; Y354-V548 HydrophobicContact CE1-CG1 3.39Å; T544-V548 WeakPolarHBondContact O-CG2 3.42Å; T544-V548 PolarHBondContact O-N 3.21Å; A545-V548 WeakPolarHBondContact O-CB 3.38Å; A545-V548 PolarHBondContact O-N 3.31Å; P546-V548 PolarHBondContact O-N 3.14Å; V548-L552 WeakPolarHBondContact O-CB 3.33Å; V548-L552 PolarHBondContact O-N 3.47Å
549	L	83.9	Confident	77.9	Confident	100 Å²	100	61.5 Å²	61.5	52%	0.524	31%	0.306	S	S	.	.	H	α-helix	trans	-66.8	-44.8	-177.9	-178.5	62.4	0	0	0	111.6	A545 P546 I547 L552 L553	A545-L549 WeakPolarHBondContact O-CB 3.29Å; A545-L549 PolarHBondContact O-N 3.38Å; P546-L549 PolarHBondContact O-N 3.45Å; I547-L549 VanDerWaalsContact C-N 3.31Å; I547-L549 PolarHBondContact O-N 2.83Å; L549-L552 PolarHBondContact O-N 2.86Å; L549-L553 HydrophobicContact CD1-CD1 4.37Å; L549-L553 HydrophobicContact CD1-CG 4.29Å; L549-L553 HydrophobicContact CG-CD1 4.05Å; L549-L553 HydrophobicContact CG-CG 4.4Å; L549-L553 WeakPolarHBondContact O-CB 3.36Å; L549-L553 VanDerWaalsContact O-CG 3.23Å; L549-L553 WeakPolarHBondContact O-CG 3.44Å; L549-L553 PolarHBondContact O-N 3.03Å
550	I	78	Confident	75.7	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-60.6	-47.6	177.5	-67.1	165.9	0	0	0	110.5	P546 I547 L552 L553 L554 L571 I574 D575 A578	P546-I550 VanDerWaalsContact O-CG1 3.28Å; P546-I550 WeakPolarHBondContact O-CG1 3.41Å; P546-I550 PolarHBondContact O-N 2.97Å; I547-I550 PolarHBondContact O-N 3.02Å; I550-L552 VanDerWaalsContact C-N 3.31Å; I550-L552 PolarHBondContact O-N 3.32Å; I550-L553 PolarHBondContact O-N 3.36Å; I550-L554 HydrophobicContact CG2-CD1 3.81Å; I550-L554 HydrophobicContact CG2-CG 4.28Å; I550-L554 WeakPolarHBondContact O-CB 3.38Å; I550-L554 WeakPolarHBondContact O-CG 3.42Å; I550-L554 PolarHBondContact O-N 3.44Å; I550-L571 HydrophobicContact CG2-CD1 4.31Å; I550-I574 HydrophobicContact CD1-CG2 3.68Å; I550-I574 HydrophobicContact CG1-CG2 4.07Å; I550-D575 HydrophobicContact CD1-CB 4.29Å; I550-A578 HydrophobicContact CD1-CB 3.49Å; I550-A578 VanDerWaalsContact CD1-CB 3.49Å
551	K	72.7	Confident	73.5	Confident	35 Å²	35	73.7 Å²	73.7	15%	0.152	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-41.9	176.8	-73.1	-175	179.4	-171.7	0	111.9	D348 A349 I547 L554 A555	D348-K551 IonicContact OD2-NZ 2.83Å; D348-K551 PolarHBondContact OD2-NZ 3.08Å; A349-K551 HydrophobicContact CB-CD 4.34Å; I547-K551 WeakPolarHBondContact O-CB 3.35Å; I547-K551 WeakPolarHBondContact O-CG 3.41Å; I547-K551 PolarHBondContact O-N 3.04Å; K551-L554 PolarHBondContact O-N 2.99Å; K551-A555 WeakPolarHBondContact O-CB 3.21Å; K551-A555 PolarHBondContact O-N 3.5Å
552	L	74.4	Confident	71.3	Confident	47 Å²	47	80.7 Å²	80.7	25%	0.246	39%	0.391	C	S	.	.	H	α-helix	trans	-64	-42.8	176	-172	147.2	0	0	0	111.6	Y354 V548 L549 I550 A555 W556	Y354-L552 HydrophobicContact CE1-CB 4.43Å; Y354-L552 HydrophobicContact CE1-CD1 4.37Å; Y354-L552 WeakPolarHBondContact OH-CA 3.39Å; Y354-L552 PolarHBondContact OH-N 2.92Å; V548-L552 WeakPolarHBondContact O-CB 3.33Å; V548-L552 PolarHBondContact O-N 3.47Å; L549-L552 PolarHBondContact O-N 2.86Å; I550-L552 VanDerWaalsContact C-N 3.31Å; I550-L552 PolarHBondContact O-N 3.32Å; L552-A555 PolarHBondContact O-N 2.87Å; L552-W556 HydrophobicContact CD2-CD2 3.82Å; L552-W556 HydrophobicContact CD2-CE3 3.63Å; L552-W556 HydrophobicContact CD2-CG 4.39Å; L552-W556 HydrophobicContact CD2-CH2 4.45Å; L552-W556 HydrophobicContact CD2-CZ3 3.97Å; L552-W556 HydrophobicContact CG-CD2 4.42Å; L552-W556 WeakPolarHBondContact O-CB 3.38Å; L552-W556 PolarHBondContact O-N 2.98Å
553	L	72.7	Confident	69.3	Low	78 Å²	78	79.1 Å²	79.1	41%	0.408	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-45.5	176.9	-72.6	172.6	0	0	0	111.6	L549 I550 K557	L549-L553 HydrophobicContact CD1-CD1 4.37Å; L549-L553 HydrophobicContact CD1-CG 4.29Å; L549-L553 HydrophobicContact CG-CD1 4.05Å; L549-L553 HydrophobicContact CG-CG 4.4Å; L549-L553 WeakPolarHBondContact O-CB 3.36Å; L549-L553 VanDerWaalsContact O-CG 3.23Å; L549-L553 WeakPolarHBondContact O-CG 3.44Å; L549-L553 PolarHBondContact O-N 3.03Å; I550-L553 PolarHBondContact O-N 3.36Å; L553-K557 WeakPolarHBondContact O-CB 3.28Å; L553-K557 PolarHBondContact O-N 2.87Å
554	L	68.5	Low	67.5	Low	63 Å²	63	86.2 Å²	86.2	33%	0.33	41%	0.413	S	S	.	.	H	α-helix	trans	-61.8	-46.1	175.6	-75.5	173.5	0	0	0	111	I550 K551 K557 L558 L571	I550-L554 HydrophobicContact CG2-CD1 3.81Å; I550-L554 HydrophobicContact CG2-CG 4.28Å; I550-L554 WeakPolarHBondContact O-CB 3.38Å; I550-L554 WeakPolarHBondContact O-CG 3.42Å; I550-L554 PolarHBondContact O-N 3.44Å; K551-L554 PolarHBondContact O-N 2.99Å; L554-K557 PolarHBondContact O-N 3.4Å; L554-L558 WeakPolarHBondContact O-CB 3.35Å; L554-L558 WeakPolarHBondContact O-CD1 3.19Å; L554-L558 PolarHBondContact O-N 3.16Å; L554-L571 HydrophobicContact CD2-CD2 3.72Å
555	A	65.3	Low	65.8	Low	25 Å²	25	90.3 Å²	90.3	21%	0.207	43%	0.431	C	S	.	.	H	α-helix	trans	-71.6	-37.5	-176.3	0	0	0	0	0	112.8	W346 K551 L552	W346-A555 HydrophobicContact CD2-CB 4.24Å; W346-A555 HydrophobicContact CE3-CB 4.41Å; W346-A555 HydrophobicContact CH2-CB 3.45Å; W346-A555 VanDerWaalsContact CH2-CB 3.45Å; W346-A555 HydrophobicContact CZ2-CB 3.26Å; W346-A555 HydrophobicContact CZ3-CB 4.04Å; K551-A555 WeakPolarHBondContact O-CB 3.21Å; K551-A555 PolarHBondContact O-N 3.5Å; L552-A555 PolarHBondContact O-N 2.87Å
556	W	65.6	Low	64.2	Low	190 Å²	190	93.5 Å²	93.5	72%	0.72	44%	0.443	S	S	*	.	H	α-helix	trans	-75	-27.5	173.1	-83.6	-0.2	0	0	0	113.6	W346 L552	W346-W556 AromaticContact CH2-CD1 3.51Å; W346-W556 AromaticContact CH2-NE1 3.81Å; L552-W556 HydrophobicContact CD2-CD2 3.82Å; L552-W556 HydrophobicContact CD2-CE3 3.63Å; L552-W556 HydrophobicContact CD2-CG 4.39Å; L552-W556 HydrophobicContact CD2-CH2 4.45Å; L552-W556 HydrophobicContact CD2-CZ3 3.97Å; L552-W556 HydrophobicContact CG-CD2 4.42Å; L552-W556 WeakPolarHBondContact O-CB 3.38Å; L552-W556 PolarHBondContact O-N 2.98Å
557	K	55.8	Low	63.3	Low	113 Å²	113	96.8 Å²	96.8	49%	0.491	45%	0.453	S	S	.	.	H	α-helix	trans	-113	11.5	-173.5	-64.7	-166.3	167.2	-174.2	0	115.9	L553 L554 K559 I560	L553-K557 WeakPolarHBondContact O-CB 3.28Å; L553-K557 PolarHBondContact O-N 2.87Å; L554-K557 PolarHBondContact O-N 3.4Å; K557-K559 PolarHBondContact O-N 3.07Å; K557-I560 HydrophobicContact CB-CB 4.42Å; K557-I560 HydrophobicContact CB-CD1 4.4Å; K557-I560 HydrophobicContact CD-CD1 3.88Å; K557-I560 HydrophobicContact CG-CD1 3.99Å; K557-I560 PolarHBondContact O-N 3.2Å
558	L	52.8	Low	62.6	Low	141 Å²	141	98.5 Å²	98.5	74%	0.738	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	0.1	172.5	-130.4	86	0	0	0	114.5	L554	L554-L558 WeakPolarHBondContact O-CB 3.35Å; L554-L558 WeakPolarHBondContact O-CD1 3.19Å; L554-L558 PolarHBondContact O-N 3.16Å
559	K	46.1	Very low	62.3	Low	208 Å²	208	98 Å²	98	90%	0.904	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-1.7	165.4	-95.4	-173.4	176.4	-177.5	0	115	K557 F561	K557-K559 PolarHBondContact O-N 3.07Å; K559-F561 PolarHBondContact O-N 2.93Å
560	I	49.3	Very low	62.1	Low	89 Å²	89	97.2 Å²	97.2	46%	0.456	45%	0.454	S	S	.	.			trans	-87.9	92.7	170.4	-74.4	172	0	0	0	107.4	K557 F562	K557-I560 HydrophobicContact CB-CB 4.42Å; K557-I560 HydrophobicContact CB-CD1 4.4Å; K557-I560 HydrophobicContact CD-CD1 3.88Å; K557-I560 HydrophobicContact CG-CD1 3.99Å; K557-I560 PolarHBondContact O-N 3.2Å; I560-F562 HydrophobicContact CG2-CB 3.64Å; I560-F562 PolarHBondContact O-N 3.4Å
561	F	44.4	Very low	62.2	Low	198 Å²	198	99 Å²	99	87%	0.868	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	21	161.6	-159.2	-102.1	0	0	0	114.6	K559	K559-F561 PolarHBondContact O-N 2.93Å
562	F	47.3	Very low	62.4	Low	166 Å²	166	98.7 Å²	98.7	73%	0.728	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-156.7	22.2	-154.8	-88.8	-75.6	0	0	0	117	I560 K564	I560-F562 HydrophobicContact CG2-CB 3.64Å; I560-F562 PolarHBondContact O-N 3.4Å; F562-K564 PolarHBondContact O-N 3.42Å
563	L	50.7	Low	62.9	Low	87 Å²	87	98.9 Å²	98.9	46%	0.455	46%	0.462	S	S	.	.	S	Bend	trans	-67.4	99.2	152.7	-91.3	164.8	0	0	0	105.2	K565 K567 L571	L563-K565 PolarHBondContact O-N 3.49Å; L563-K565 VanDerWaalsContact O-N 3.16Å; L563-K567 HydrophobicContact CD2-CB 3.88Å; L563-K567 HydrophobicContact CD2-CD 3.68Å; L563-K567 HydrophobicContact CD2-CG 4.44Å; L563-L571 HydrophobicContact CD1-CD2 4.3Å
564	K	54.4	Low	63.6	Low	160 Å²	160	98.7 Å²	98.7	70%	0.696	46%	0.461	S	S	*	.			trans	-30.1	125.7	174.3	-87.1	-174.9	174.1	-175.7	0	108.4	F562 N566 K567	F562-K564 PolarHBondContact O-N 3.42Å; K564-N566 CarbonylContact O-C 3.56Å; K564-N566 PolarHBondContact O-N 3.28Å; K564-K567 HydrophobicContact CB-CG 4.47Å; K564-K567 WeakPolarHBondContact O-CB 3.45Å; K564-K567 PolarHBondContact O-N 3Å
565	K	53.5	Low	64.3	Low	89 Å²	89	97.1 Å²	97.1	39%	0.387	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-41	-34.2	-174.1	-66.9	173.9	170.4	173.4	0	113.6	D90 Y91 L563 K567	D90-K565 VanDerWaalsContact C-NZ 3.33Å; D90-K565 PolarHBondContact O-NZ 2.98Å; Y91-K565 HydrophobicContact CD2-CD 4.12Å; Y91-K565 HydrophobicContact CE2-CB 3.98Å; Y91-K565 HydrophobicContact CE2-CD 3.67Å; Y91-K565 HydrophobicContact CE2-CG 4.09Å; Y91-K565 WeakPolarHBondContact OH-CB 3.33Å; L563-K565 PolarHBondContact O-N 3.49Å; L563-K565 VanDerWaalsContact O-N 3.16Å; K565-K567 VanDerWaalsContact C-N 3.28Å; K565-K567 PolarHBondContact O-N 2.93Å
566	N	57.1	Low	65.5	Low	104 Å²	104	95.9 Å²	95.9	56%	0.556	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-66.4	-7.9	174.2	-59.1	-1.4	0	0	0	116.8	K564	K564-N566 CarbonylContact O-C 3.56Å; K564-N566 PolarHBondContact O-N 3.28Å
567	K	70.5	Confident	66.8	Low	109 Å²	109	89.8 Å²	89.8	47%	0.474	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-99.7	-10	-178.2	-70.1	-171.3	174.6	-173.7	0	113.8	L563 K564 K565 L570 L571	L563-K567 HydrophobicContact CD2-CB 3.88Å; L563-K567 HydrophobicContact CD2-CD 3.68Å; L563-K567 HydrophobicContact CD2-CG 4.44Å; K564-K567 HydrophobicContact CB-CG 4.47Å; K564-K567 WeakPolarHBondContact O-CB 3.45Å; K564-K567 PolarHBondContact O-N 3Å; K565-K567 VanDerWaalsContact C-N 3.28Å; K565-K567 PolarHBondContact O-N 2.93Å; K567-L570 PolarHBondContact O-N 3.08Å; K567-L571 PolarHBondContact O-N 3.3Å; K567-L571 VanDerWaalsContact O-N 3.08Å
568	I	70.4	Confident	68.5	Low	44 Å²	44	84.4 Å²	84.4	23%	0.226	40%	0.4	C	S	.	.	H	α-helix	trans	-63.5	-46.4	179.9	-59.4	173.8	0	0	0	109.7	I9 I87 L570 L571 E572	I9-I568 HydrophobicContact CD1-CB 4.36Å; I9-I568 HydrophobicContact CD1-CG2 3.37Å; I87-I568 HydrophobicContact CG2-CD1 4.21Å; I568-L570 VanDerWaalsContact C-N 3.28Å; I568-L570 PolarHBondContact O-N 3.29Å; I568-L571 WeakPolarHBondContact O-CA 3.5Å; I568-L571 WeakPolarHBondContact O-CB 3.27Å; I568-L571 PolarHBondContact O-N 3.16Å; I568-E572 PolarHBondContact O-N 2.93Å
569	I	75	Confident	70.3	Confident	8 Å²	8	78.4 Å²	78.4	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-61	-35.3	177.2	-173.3	59	0	0	0	113.2	C10 I102 L105 C106 I109 L571 E572 F573	C10-I569 WeakPolarHBondContact SG-CD1 3.26Å; I102-I569 HydrophobicContact CG1-CG2 4.18Å; I102-I569 HydrophobicContact CG2-CB 4.43Å; I102-I569 HydrophobicContact CG2-CG1 4.18Å; I102-I569 HydrophobicContact CG2-CG2 4.38Å; L105-I569 HydrophobicContact CB-CD1 4.45Å; L105-I569 HydrophobicContact CB-CG1 3.77Å; L105-I569 HydrophobicContact CD1-CG1 4.37Å; L105-I569 HydrophobicContact CD1-CG2 4.2Å; C106-I569 WeakPolarHBondContact SG-CD1 3.25Å; I109-I569 HydrophobicContact CD1-CD1 3.87Å; I569-L571 VanDerWaalsContact C-N 3.32Å; I569-E572 WeakPolarHBondContact CD1-OE2 3.49Å; I569-E572 PolarHBondContact O-N 3.29Å; I569-F573 WeakPolarHBondContact O-CB 3.32Å; I569-F573 PolarHBondContact O-N 3.29Å
570	L	80.7	Confident	72.6	Confident	82 Å²	82	68.9 Å²	68.9	43%	0.429	33%	0.327	S	S	.	.	H	α-helix	trans	-66.8	-38.9	175.5	178.5	63.8	0	0	0	110.6	K567 I568 F573 I574	K567-L570 PolarHBondContact O-N 3.08Å; I568-L570 VanDerWaalsContact C-N 3.28Å; I568-L570 PolarHBondContact O-N 3.29Å; L570-F573 PolarHBondContact O-N 2.77Å; L570-I574 HydrophobicContact CD1-CD1 4.2Å; L570-I574 HydrophobicContact CD1-CG1 4.42Å; L570-I574 HydrophobicContact CG-CD1 3.96Å; L570-I574 WeakPolarHBondContact O-CG1 3.46Å; L570-I574 PolarHBondContact O-N 2.83Å
571	L	78	Confident	74.7	Confident	44 Å²	44	67.3 Å²	67.3	23%	0.23	32%	0.319	C	S	.	.	H	α-helix	trans	-66.4	-41.7	176.4	-172.1	62.3	0	0	0	111.3	I550 L554 L563 K567 I568 I569 F573 I574 D575	I550-L571 HydrophobicContact CG2-CD1 4.31Å; L554-L571 HydrophobicContact CD2-CD2 3.72Å; L563-L571 HydrophobicContact CD1-CD2 4.3Å; K567-L571 PolarHBondContact O-N 3.3Å; K567-L571 VanDerWaalsContact O-N 3.08Å; I568-L571 WeakPolarHBondContact O-CA 3.5Å; I568-L571 WeakPolarHBondContact O-CB 3.27Å; I568-L571 PolarHBondContact O-N 3.16Å; I569-L571 VanDerWaalsContact C-N 3.32Å; L571-F573 VanDerWaalsContact C-N 3.34Å; L571-F573 PolarHBondContact O-N 2.77Å; L571-I574 PolarHBondContact O-N 2.93Å; L571-D575 WeakPolarHBondContact O-CB 3.42Å; L571-D575 PolarHBondContact O-N 3.25Å
572	E	77.6	Confident	77	Confident	27 Å²	27	58 Å²	58	13%	0.126	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-42.5	172.8	-71.5	-172.1	150.4	0	0	112.1	I9 I109 I568 I569 D575 C576	I9-E572 VanDerWaalsContact CD1-OE1 3.27Å; I9-E572 WeakPolarHBondContact CD1-OE1 3.08Å; I109-E572 HydrophobicContact CD1-CB 4.27Å; I568-E572 PolarHBondContact O-N 2.93Å; I569-E572 WeakPolarHBondContact CD1-OE2 3.49Å; I569-E572 PolarHBondContact O-N 3.29Å; E572-D575 PolarHBondContact O-N 2.94Å; E572-C576 WeakPolarHBondContact O-CB 3.31Å; E572-C576 PolarHBondContact O-N 2.96Å
573	F	86.1	Confident	79.3	Confident	52 Å²	52	50.3 Å²	50.3	23%	0.228	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-46.2	175.1	174.5	-109.5	0	0	0	111.9	L105 I108 I109 L112 I569 L570 L571 D575 C576 I577	L105-F573 HydrophobicContact CD2-CB 3.64Å; L105-F573 HydrophobicContact CD2-CD1 3.92Å; L105-F573 HydrophobicContact CD2-CD2 4.11Å; L105-F573 HydrophobicContact CD2-CG 3.6Å; I108-F573 HydrophobicContact CG2-CD2 4.31Å; I108-F573 HydrophobicContact CG2-CE2 3.64Å; I109-F573 HydrophobicContact CD1-CB 4.01Å; I109-F573 HydrophobicContact CG1-CB 4.22Å; I109-F573 HydrophobicContact CG1-CD2 3.95Å; L112-F573 HydrophobicContact CD1-CE2 4.06Å; I569-F573 WeakPolarHBondContact O-CB 3.32Å; I569-F573 PolarHBondContact O-N 3.29Å; L570-F573 PolarHBondContact O-N 2.77Å; L571-F573 VanDerWaalsContact C-N 3.34Å; L571-F573 PolarHBondContact O-N 2.77Å; F573-D575 VanDerWaalsContact C-N 3.31Å; F573-D575 PolarHBondContact O-N 3.5Å; F573-C576 WeakPolarHBondContact O-CB 3.17Å; F573-C576 PolarHBondContact O-N 3.43Å; F573-I577 HydrophobicContact CE1-CG1 4.36Å; F573-I577 HydrophobicContact CE2-CD1 4.22Å; F573-I577 HydrophobicContact CE2-CG1 4.13Å; F573-I577 HydrophobicContact CZ-CD1 4.24Å; F573-I577 HydrophobicContact CZ-CG1 4.01Å; F573-I577 WeakPolarHBondContact O-CG1 3.41Å; F573-I577 PolarHBondContact O-N 3.03Å; F573-I577 VanDerWaalsContact O-N 3.09Å
574	I	86.8	Confident	81.5	Confident	74 Å²	74	49 Å²	49	38%	0.379	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-38.2	178.6	-65	166	0	0	0	110.6	I550 L570 L571 I577 A578	I550-I574 HydrophobicContact CD1-CG2 3.68Å; I550-I574 HydrophobicContact CG1-CG2 4.07Å; L570-I574 HydrophobicContact CD1-CD1 4.2Å; L570-I574 HydrophobicContact CD1-CG1 4.42Å; L570-I574 HydrophobicContact CG-CD1 3.96Å; L570-I574 WeakPolarHBondContact O-CG1 3.46Å; L570-I574 PolarHBondContact O-N 2.83Å; L571-I574 PolarHBondContact O-N 2.93Å; I574-I577 PolarHBondContact O-N 2.93Å; I574-A578 WeakPolarHBondContact O-CB 3.3Å; I574-A578 PolarHBondContact O-N 3.46Å
575	D	83.9	Confident	83.4	Confident	29 Å²	29	41.4 Å²	41.4	16%	0.155	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-43.8	175.8	-167.1	57.9	0	0	0	111.7	I550 L571 E572 F573 I577 A578 E579	I550-D575 HydrophobicContact CD1-CB 4.29Å; L571-D575 WeakPolarHBondContact O-CB 3.42Å; L571-D575 PolarHBondContact O-N 3.25Å; E572-D575 PolarHBondContact O-N 2.94Å; F573-D575 VanDerWaalsContact C-N 3.31Å; F573-D575 PolarHBondContact O-N 3.5Å; D575-I577 VanDerWaalsContact C-N 3.31Å; D575-I577 PolarHBondContact O-N 2.05Å; D575-A578 PolarHBondContact O-N 2.89Å; D575-A578 VanDerWaalsContact O-N 3.12Å; D575-E579 WeakPolarHBondContact O-CG 3.04Å; D575-E579 PolarHBondContact O-N 3.28Å
576	C	89.2	Confident	85.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-53.7	-47.4	171.9	176.1	0	0	0	0	111.7	W113 E572 F573 L580	W113-C576 PolarHBondContact NE1-SG 3.21Å; E572-C576 WeakPolarHBondContact O-CB 3.31Å; E572-C576 PolarHBondContact O-N 2.96Å; F573-C576 WeakPolarHBondContact O-CB 3.17Å; F573-C576 PolarHBondContact O-N 3.43Å; C576-L580 VanDerWaalsContact O-CG 3.29Å; C576-L580 WeakPolarHBondContact O-CG 3.36Å; C576-L580 PolarHBondContact O-N 2.91Å
577	I	92.3	Very high	87.3	Confident	62 Å²	62	32.4 Å²	32.4	32%	0.318	16%	0.161	S	C	.	.	H	α-helix	trans	-65	-43.1	178	-63.9	-62.5	0	0	0	111.2	L112 F573 I574 D575 L580 L581	L112-I577 HydrophobicContact CD1-CD1 3.7Å; F573-I577 HydrophobicContact CE1-CG1 4.36Å; F573-I577 HydrophobicContact CE2-CD1 4.22Å; F573-I577 HydrophobicContact CE2-CG1 4.13Å; F573-I577 HydrophobicContact CZ-CD1 4.24Å; F573-I577 HydrophobicContact CZ-CG1 4.01Å; F573-I577 WeakPolarHBondContact O-CG1 3.41Å; F573-I577 PolarHBondContact O-N 3.03Å; F573-I577 VanDerWaalsContact O-N 3.09Å; I574-I577 PolarHBondContact O-N 2.93Å; D575-I577 VanDerWaalsContact C-N 3.31Å; D575-I577 PolarHBondContact O-N 2.05Å; I577-L580 PolarHBondContact O-N 3.38Å; I577-L581 HydrophobicContact CG2-CD1 4.02Å; I577-L581 HydrophobicContact CG2-CG 4.44Å; I577-L581 WeakPolarHBondContact O-CB 3.23Å; I577-L581 WeakPolarHBondContact O-CG 3.28Å; I577-L581 PolarHBondContact O-N 3.46Å
578	A	92	Very high	88.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-40.5	179.9	0	0	0	0	0	112.6	P546 I547 I550 I574 D575 M582	P546-A578 HydrophobicContact CB-CB 3.71Å; I547-A578 HydrophobicContact CB-CB 4.07Å; I550-A578 HydrophobicContact CD1-CB 3.49Å; I550-A578 VanDerWaalsContact CD1-CB 3.49Å; I574-A578 WeakPolarHBondContact O-CB 3.3Å; I574-A578 PolarHBondContact O-N 3.46Å; D575-A578 PolarHBondContact O-N 2.89Å; D575-A578 VanDerWaalsContact O-N 3.12Å; A578-M582 WeakPolarHBondContact O-CB 3.39Å; A578-M582 PolarHBondContact O-N 3.26Å
579	E	90.5	Very high	89.6	Confident	14 Å²	14	27.6 Å²	27.6	7%	0.065	14%	0.141	C	C	.	.	H	α-helix	trans	-66.1	-44.2	175.3	-72.3	-165.5	153.1	0	0	111.9	W113 R168 I547 D575 L581 M582 Y583	W113-E579 VanDerWaalsContact CZ2-OE2 3.25Å; W113-E579 WeakPolarHBondContact CZ2-OE2 3.33Å; R168-E579 IonicContact CZ-OE1 3.22Å; R168-E579 VanDerWaalsContact CZ-OE1 3.26Å; R168-E579 IonicContact CZ-OE2 2.82Å; R168-E579 IonicContact NE-OE2 2.78Å; R168-E579 IonicContact NH1-OE1 3.54Å; R168-E579 PolarHBondContact NH1-OE1 2.9Å; R168-E579 IonicContact NH1-OE2 3.87Å; R168-E579 PolarHBondContact NH1-OE2 3.26Å; R168-E579 IonicContact NH2-OE1 3.83Å; R168-E579 PolarHBondContact NH2-OE1 3.23Å; R168-E579 IonicContact NH2-OE2 3.29Å; R168-E579 PolarHBondContact NH2-OE2 3.32Å; I547-E579 HydrophobicContact CD1-CG 4.45Å; D575-E579 WeakPolarHBondContact O-CG 3.04Å; D575-E579 PolarHBondContact O-N 3.28Å; E579-L581 VanDerWaalsContact C-N 3.35Å; E579-L581 PolarHBondContact O-N 2.91Å; E579-M582 WeakPolarHBondContact O-CB 3.03Å; E579-M582 PolarHBondContact O-N 3.4Å; E579-Y583 WeakPolarHBondContact O-CD2 3.44Å; E579-Y583 PolarHBondContact O-N 3.19Å
580	L	94.1	Very high	90.5	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-42.4	176.6	-70.3	174.4	0	0	0	111.6	L112 I116 P117 I120 C576 I577 M582 Y583 I584	L112-L580 HydrophobicContact CB-CD1 4.1Å; I116-L580 HydrophobicContact CB-CD1 4.37Å; I116-L580 HydrophobicContact CB-CD2 4.38Å; I116-L580 HydrophobicContact CG2-CD1 4.23Å; I116-L580 HydrophobicContact CG2-CD2 4.04Å; P117-L580 HydrophobicContact CG-CD2 4.14Å; I120-L580 HydrophobicContact CD1-CD2 4.14Å; C576-L580 VanDerWaalsContact O-CG 3.29Å; C576-L580 WeakPolarHBondContact O-CG 3.36Å; C576-L580 PolarHBondContact O-N 2.91Å; I577-L580 PolarHBondContact O-N 3.38Å; L580-M582 VanDerWaalsContact C-N 3.35Å; L580-M582 PolarHBondContact O-N 2.93Å; L580-Y583 PolarHBondContact O-N 2.75Å; L580-I584 VanDerWaalsContact O-CG1 3.32Å; L580-I584 WeakPolarHBondContact O-CG1 3.3Å; L580-I584 PolarHBondContact O-N 3.36Å
581	L	94.8	Very high	91.1	Very high	57 Å²	57	28.3 Å²	28.3	30%	0.298	14%	0.138	S	C	.	.	H	α-helix	trans	-60.2	-44.6	174.2	-75.3	172.2	0	0	0	111.8	T543 P546 I577 E579 Y583 I584 N585	T543-L581 WeakPolarHBondContact CB-O 2.98Å; P546-L581 HydrophobicContact CG-CD1 3.94Å; I577-L581 HydrophobicContact CG2-CD1 4.02Å; I577-L581 HydrophobicContact CG2-CG 4.44Å; I577-L581 WeakPolarHBondContact O-CB 3.23Å; I577-L581 WeakPolarHBondContact O-CG 3.28Å; I577-L581 PolarHBondContact O-N 3.46Å; E579-L581 VanDerWaalsContact C-N 3.35Å; E579-L581 PolarHBondContact O-N 2.91Å; L581-Y583 VanDerWaalsContact C-N 3.31Å; L581-Y583 PolarHBondContact O-N 2.71Å; L581-I584 HydrophobicContact CD2-CD1 4.43Å; L581-I584 WeakPolarHBondContact O-CB 3.49Å; L581-I584 PolarHBondContact O-N 3.07Å; L581-N585 PolarHBondContact O-N 3.08Å
582	M	93.2	Very high	91.9	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-41.4	175.5	179.7	-164.7	73.5	0	0	111.6	M1 Y352 I547 A578 E579 L580 N585 H586	M1-M582 HydrophobicContact CE-CE 3.53Å; M1-M582 HydrophobicContact CE-SD 4.02Å; Y352-M582 HydrophobicContact CE1-SD 3.84Å; Y352-M582 VanDerWaalsContact OH-CG 3.26Å; Y352-M582 WeakPolarHBondContact OH-CG 3.48Å; Y352-M582 PolarHBondContact OH-SD 3.08Å; I547-M582 HydrophobicContact CD1-SD 3.72Å; A578-M582 WeakPolarHBondContact O-CB 3.39Å; A578-M582 PolarHBondContact O-N 3.26Å; E579-M582 WeakPolarHBondContact O-CB 3.03Å; E579-M582 PolarHBondContact O-N 3.4Å; L580-M582 VanDerWaalsContact C-N 3.35Å; L580-M582 PolarHBondContact O-N 2.93Å; M582-N585 VanDerWaalsContact O-CB 3.24Å; M582-N585 WeakPolarHBondContact O-CB 3.17Å; M582-N585 PolarHBondContact O-N 3.02Å; M582-H586 PolarHBondContact O-CD2 3.17Å
583	Y	95.3	Very high	92.6	Very high	5 Å²	5	26 Å²	26	2%	0.02	13%	0.127	C	C	.	.	H	α-helix	trans	-71.3	-32.2	176.2	-72.5	-61.4	0	0	0	113.6	V160 L161 G164 L165 E579 L580 L581 N585 H586 A587	V160-Y583 HydrophobicContact CG1-CE1 4.38Å; L161-Y583 HydrophobicContact CD2-CD1 4.37Å; G164-Y583 VanDerWaalsContact C-OH 3.29Å; G164-Y583 VanDerWaalsContact CA-OH 3.31Å; G164-Y583 WeakPolarHBondContact CA-OH 3.47Å; L165-Y583 HydrophobicContact CB-CD1 3.74Å; L165-Y583 HydrophobicContact CB-CD2 4.33Å; L165-Y583 HydrophobicContact CB-CE1 3.83Å; L165-Y583 HydrophobicContact CB-CE2 4.4Å; L165-Y583 HydrophobicContact CB-CG 4.01Å; L165-Y583 HydrophobicContact CD1-CD1 4.42Å; L165-Y583 HydrophobicContact CD1-CD2 3.59Å; L165-Y583 HydrophobicContact CD1-CE2 4.05Å; L165-Y583 HydrophobicContact CD1-CG 3.8Å; L165-Y583 HydrophobicContact CG-CG 4.33Å; E579-Y583 WeakPolarHBondContact O-CD2 3.44Å; E579-Y583 PolarHBondContact O-N 3.19Å; L580-Y583 PolarHBondContact O-N 2.75Å; L581-Y583 VanDerWaalsContact C-N 3.31Å; L581-Y583 PolarHBondContact O-N 2.71Å; Y583-N585 PolarHBondContact O-N 2.81Å; Y583-H586 PolarHBondContact O-N 3.36Å; Y583-H586 VanDerWaalsContact O-N 3.08Å; Y583-A587 PolarHBondContact O-N 2.65Å
584	I	95.8	Very high	92.9	Very high	58 Å²	58	24.9 Å²	24.9	30%	0.297	13%	0.125	S	C	.	.	H	α-helix	trans	-57.4	-35.2	172.4	-72.2	166.6	0	0	0	110.9	I120 L580 L581 H586 A587 I588	I120-I584 HydrophobicContact CD1-CD1 4.31Å; I120-I584 HydrophobicContact CD1-CG1 3.69Å; I120-I584 HydrophobicContact CG1-CG1 4.09Å; L580-I584 VanDerWaalsContact O-CG1 3.32Å; L580-I584 WeakPolarHBondContact O-CG1 3.3Å; L580-I584 PolarHBondContact O-N 3.36Å; L581-I584 HydrophobicContact CD2-CD1 4.43Å; L581-I584 WeakPolarHBondContact O-CB 3.49Å; L581-I584 PolarHBondContact O-N 3.07Å; I584-H586 VanDerWaalsContact C-N 3.26Å; I584-H586 PolarHBondContact O-N 2.68Å; I584-A587 PolarHBondContact O-N 3.09Å; I584-I588 HydrophobicContact CG2-CB 4.37Å; I584-I588 HydrophobicContact CG2-CD1 4.41Å; I584-I588 WeakPolarHBondContact O-CB 3.46Å; I584-I588 WeakPolarHBondContact O-CG2 3.43Å; I584-I588 PolarHBondContact O-N 3.4Å
585	N	94.2	Very high	93.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-56	-39.6	175.8	-178.2	68.9	0	0	0	113	F540 T543 L581 M582 Y583 A587	F540-N585 VanDerWaalsContact CA-OD1 3.28Å; F540-N585 WeakPolarHBondContact CA-OD1 3.35Å; F540-N585 PolarHBondContact N-OD1 3.3Å; T543-N585 WeakPolarHBondContact OG1-CB 3.27Å; L581-N585 PolarHBondContact O-N 3.08Å; M582-N585 VanDerWaalsContact O-CB 3.24Å; M582-N585 WeakPolarHBondContact O-CB 3.17Å; M582-N585 PolarHBondContact O-N 3.02Å; Y583-N585 PolarHBondContact O-N 2.81Å; N585-A587 VanDerWaalsContact C-N 3.3Å; N585-A587 PolarHBondContact O-N 3.28Å
586	H	95.7	Very high	93.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-78.1	-13	179	-61.6	-66.9	0	0	0	113.5	N128 D157 L161 S200 M582 Y583 I584	N128-H586 PolarHBondContact ND2-O 3.27Å; D157-H586 HydrophobicContact CB-CB 4.14Å; D157-H586 IonicContact OD1-CE1 4Å; D157-H586 IonicContact OD1-CG 3.4Å; D157-H586 IonicContact OD1-ND1 3.68Å; D157-H586 PolarHBondContact OD1-ND1 2.98Å; L161-H586 HydrophobicContact CD2-CB 4.06Å; L161-H586 HydrophobicContact CG-CB 4.06Å; S200-H586 PolarHBondContact OG-CE1 3Å; S200-H586 PolarHBondContact OG-ND1 3.38Å; M582-H586 PolarHBondContact O-CD2 3.17Å; Y583-H586 PolarHBondContact O-N 3.36Å; Y583-H586 VanDerWaalsContact O-N 3.08Å; I584-H586 VanDerWaalsContact C-N 3.26Å; I584-H586 PolarHBondContact O-N 2.68Å
587	A	96.8	Very high	93	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.033	14%	0.141	C	C	.	.	H	α-helix	trans	-102.3	-29.1	-179.5	0	0	0	0	0	113.7	I120 Y583 I584 N585	I120-A587 HydrophobicContact CG2-CB 3.9Å; Y583-A587 PolarHBondContact O-N 2.65Å; I584-A587 PolarHBondContact O-N 3.09Å; N585-A587 VanDerWaalsContact C-N 3.3Å; N585-A587 PolarHBondContact O-N 3.28Å
588	I	95.4	Very high	92.6	Very high	52 Å²	52	24.4 Å²	24.4	27%	0.267	14%	0.137	S	C	.	.	H	α-helix	trans	-81.1	-18.3	-167.5	-161.7	165.7	0	0	0	114.5	I539 I584 F590 Y591 L592	I539-I588 HydrophobicContact CG2-CG2 3.91Å; I584-I588 HydrophobicContact CG2-CB 4.37Å; I584-I588 HydrophobicContact CG2-CD1 4.41Å; I584-I588 WeakPolarHBondContact O-CB 3.46Å; I584-I588 WeakPolarHBondContact O-CG2 3.43Å; I584-I588 PolarHBondContact O-N 3.4Å; I588-F590 PolarHBondContact O-N 3.14Å; I588-Y591 WeakPolarHBondContact O-CB 3.04Å; I588-Y591 PolarHBondContact O-N 3.26Å; I588-L592 HydrophobicContact CG1-CG 4.35Å; I588-L592 HydrophobicContact CG2-CD1 4.23Å; I588-L592 PolarHBondContact O-N 3.46Å
589	N	93.4	Very high	92.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-50	-48.9	-171	-83.7	-29.7	0	0	0	113.9	D157 Y591 L592 Y593	D157-N589 PolarHBondContact OD2-ND2 3.33Å; N589-Y591 VanDerWaalsContact C-N 3.3Å; N589-Y591 PolarHBondContact O-N 2.82Å; N589-L592 WeakPolarHBondContact O-CB 3.46Å; N589-L592 PolarHBondContact O-N 3Å; N589-Y593 HydrophobicContact CB-CE2 3.97Å; N589-Y593 VanDerWaalsContact O-CD1 3.29Å; N589-Y593 WeakPolarHBondContact O-CD1 3.43Å; N589-Y593 VanDerWaalsContact O-CD2 3.27Å; N589-Y593 WeakPolarHBondContact O-CD2 3.39Å; N589-Y593 WeakPolarHBondContact O-CE1 3.4Å; N589-Y593 WeakPolarHBondContact O-CE2 3.42Å; N589-Y593 PolarHBondContact O-N 2.98Å; N589-Y593 VanDerWaalsContact O-N 3.08Å
590	F	94.7	Very high	92.1	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.057	15%	0.146	C	C	.	.	H	α-helix	trans	-55	-42.5	176.7	171.8	-105.7	0	0	0	114	G127 F130 T131 I588 L592 Y593 C594 F600 F604	G127-F590 WeakPolarHBondContact O-CB 3.49Å; G127-F590 WeakPolarHBondContact O-CD2 3.47Å; F130-F590 HydrophobicContact CB-CD2 3.82Å; F130-F590 HydrophobicContact CB-CE2 3.41Å; F130-F590 VanDerWaalsContact CB-CE2 3.41Å; F130-F590 HydrophobicContact CB-CZ 4.04Å; F130-F590 HydrophobicContact CD2-CE2 4.29Å; F130-F590 HydrophobicContact CD2-CZ 4.05Å; F130-F590 HydrophobicContact CG-CE2 4.18Å; F130-F590 HydrophobicContact CG-CZ 4.35Å; T131-F590 WeakPolarHBondContact OG1-CB 3.48Å; I588-F590 PolarHBondContact O-N 3.14Å; F590-L592 VanDerWaalsContact C-N 3.32Å; F590-L592 PolarHBondContact O-N 2.94Å; F590-Y593 WeakPolarHBondContact O-CB 3.35Å; F590-Y593 PolarHBondContact O-N 3.48Å; F590-Y593 VanDerWaalsContact O-N 3.14Å; F590-C594 WeakPolarHBondContact CZ-SG 3.37Å; F590-C594 PolarHBondContact O-N 3.28Å; F590-F600 AromaticContact CD2-CE1 3.91Å; F590-F600 HydrophobicContact CD2-CE1 3.91Å; F590-F600 AromaticContact CD2-CZ 3.69Å; F590-F600 HydrophobicContact CD2-CZ 3.69Å; F590-F600 AromaticContact CE2-CE1 3.68Å; F590-F600 HydrophobicContact CE2-CE1 3.68Å; F590-F600 AromaticContact CE2-CZ 3.75Å; F590-F600 HydrophobicContact CE2-CZ 3.75Å; F590-F604 HydrophobicContact CE2-CD2 4.36Å; F590-F604 HydrophobicContact CE2-CE2 4.2Å; F590-F604 HydrophobicContact CE2-CZ 4.45Å; F590-F604 HydrophobicContact CZ-CD2 4.44Å; F590-F604 HydrophobicContact CZ-CE1 4.11Å; F590-F604 AromaticContact CZ-CE2 3.94Å; F590-F604 HydrophobicContact CZ-CE2 3.94Å; F590-F604 AromaticContact CZ-CZ 3.76Å; F590-F604 HydrophobicContact CZ-CZ 3.76Å
591	Y	93.8	Very high	92	Very high	91 Å²	91	30.1 Å²	30.1	36%	0.357	16%	0.159	S	C	.	.	H	α-helix	trans	-69.4	-35.6	-176	-58.6	-85.9	0	0	0	110.7	I123 I588 N589 Y593 C594 A595	I123-Y591 HydrophobicContact CG2-CD2 4.4Å; I123-Y591 HydrophobicContact CG2-CE2 3.4Å; I123-Y591 VanDerWaalsContact CG2-CE2 3.4Å; I123-Y591 VanDerWaalsContact CG2-OH 3.32Å; I123-Y591 WeakPolarHBondContact CG2-OH 3.46Å; I123-Y591 PolarHBondContact O-OH 3.32Å; I588-Y591 WeakPolarHBondContact O-CB 3.04Å; I588-Y591 PolarHBondContact O-N 3.26Å; N589-Y591 VanDerWaalsContact C-N 3.3Å; N589-Y591 PolarHBondContact O-N 2.82Å; Y591-Y593 VanDerWaalsContact C-N 3.35Å; Y591-C594 PolarHBondContact O-N 3.37Å; Y591-A595 WeakPolarHBondContact O-CB 3.41Å; Y591-A595 PolarHBondContact O-N 3.02Å
592	L	93.8	Very high	91.7	Very high	23 Å²	23	33.5 Å²	33.5	12%	0.12	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-41.6	170.3	-56.4	172.7	0	0	0	111.5	I539 I588 N589 F590 C594 A595 V596	I539-L592 HydrophobicContact CD1-CD1 3.33Å; I539-L592 HydrophobicContact CD1-CD2 3.32Å; I539-L592 HydrophobicContact CD1-CG 3.91Å; I588-L592 HydrophobicContact CG1-CG 4.35Å; I588-L592 HydrophobicContact CG2-CD1 4.23Å; I588-L592 PolarHBondContact O-N 3.46Å; N589-L592 WeakPolarHBondContact O-CB 3.46Å; N589-L592 PolarHBondContact O-N 3Å; F590-L592 VanDerWaalsContact C-N 3.32Å; F590-L592 PolarHBondContact O-N 2.94Å; L592-C594 VanDerWaalsContact C-N 3.3Å; L592-C594 PolarHBondContact O-N 2.84Å; L592-A595 PolarHBondContact O-N 3.01Å; L592-V596 PolarHBondContact O-N 3.31Å
593	Y	92.8	Very high	91.6	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-40.3	176.3	-52.2	-27	0	0	0	111.9	T131 F135 L150 L532 I536 N589 F590 Y591 G597 F600	T131-Y593 HydrophobicContact CG2-CD2 3.92Å; T131-Y593 HydrophobicContact CG2-CE2 3.46Å; T131-Y593 VanDerWaalsContact CG2-CE2 3.46Å; F135-Y593 AromaticContact CE2-CD2 3.77Å; F135-Y593 HydrophobicContact CE2-CD2 3.77Å; F135-Y593 AromaticContact CE2-CE2 3.82Å; F135-Y593 HydrophobicContact CE2-CE2 3.82Å; F135-Y593 HydrophobicContact CE2-CG 4.31Å; F135-Y593 HydrophobicContact CZ-CD2 4.46Å; L150-Y593 HydrophobicContact CD2-CE1 4.43Å; L532-Y593 HydrophobicContact CD1-CD1 3.52Å; L532-Y593 HydrophobicContact CD1-CE1 4.18Å; L532-Y593 HydrophobicContact CD2-CD1 3.64Å; L532-Y593 HydrophobicContact CD2-CE1 4.03Å; L532-Y593 HydrophobicContact CG-CD1 3.81Å; L532-Y593 HydrophobicContact CG-CE1 4.11Å; I536-Y593 HydrophobicContact CD1-CE1 3.53Å; I536-Y593 HydrophobicContact CG1-CE1 3.94Å; N589-Y593 HydrophobicContact CB-CE2 3.97Å; N589-Y593 VanDerWaalsContact O-CD1 3.29Å; N589-Y593 WeakPolarHBondContact O-CD1 3.43Å; N589-Y593 VanDerWaalsContact O-CD2 3.27Å; N589-Y593 WeakPolarHBondContact O-CD2 3.39Å; N589-Y593 WeakPolarHBondContact O-CE1 3.4Å; N589-Y593 WeakPolarHBondContact O-CE2 3.42Å; N589-Y593 PolarHBondContact O-N 2.98Å; N589-Y593 VanDerWaalsContact O-N 3.08Å; F590-Y593 WeakPolarHBondContact O-CB 3.35Å; F590-Y593 PolarHBondContact O-N 3.48Å; F590-Y593 VanDerWaalsContact O-N 3.14Å; Y591-Y593 VanDerWaalsContact C-N 3.35Å; Y593-G597 VanDerWaalsContact O-CA 3.25Å; Y593-G597 WeakPolarHBondContact O-CA 3.45Å; Y593-G597 PolarHBondContact O-N 2.98Å; Y593-F600 HydrophobicContact CD2-CD2 4.5Å; Y593-F600 HydrophobicContact CD2-CE2 4.03Å; Y593-F600 HydrophobicContact CD2-CZ 4.21Å; Y593-F600 HydrophobicContact CG-CD2 4.43Å; Y593-F600 HydrophobicContact CG-CE2 4.36Å
594	C	92.4	Very high	91.5	Very high	28 Å²	28	35.9 Å²	35.9	19%	0.189	18%	0.182	C	C	.	.	H	α-helix	trans	-68	-41.1	175.1	-73.5	0	0	0	0	113.2	F590 Y591 L592 R601	F590-C594 WeakPolarHBondContact CZ-SG 3.37Å; F590-C594 PolarHBondContact O-N 3.28Å; Y591-C594 PolarHBondContact O-N 3.37Å; L592-C594 VanDerWaalsContact C-N 3.3Å; L592-C594 PolarHBondContact O-N 2.84Å; C594-R601 PolarHBondContact O-NH1 2.86Å
595	A	91.3	Very high	91.3	Very high	67 Å²	67	39 Å²	39	55%	0.554	19%	0.194	S	C	*	.	H	α-helix	trans	-64.9	-49.9	-178.3	0	0	0	0	0	111.5	Y591 L592 R601	Y591-A595 WeakPolarHBondContact O-CB 3.41Å; Y591-A595 PolarHBondContact O-N 3.02Å; L592-A595 PolarHBondContact O-N 3.01Å; A595-R601 PolarHBondContact O-NH1 3.17Å
596	V	88	Confident	91.1	Very high	42 Å²	42	44.1 Å²	44.1	26%	0.255	22%	0.216	S	C	.	.	H	α-helix	trans	-105.3	-37.8	-168.5	-179.9	0	0	0	0	113.3	I531 L532 L535 L592 T598	I531-V596 HydrophobicContact CB-CG1 4.38Å; I531-V596 HydrophobicContact CG2-CG1 3.78Å; L532-V596 HydrophobicContact CD1-CB 4.3Å; L535-V596 HydrophobicContact CD1-CB 4.29Å; L535-V596 HydrophobicContact CD1-CG1 4.33Å; L535-V596 HydrophobicContact CD1-CG2 3.52Å; L592-V596 PolarHBondContact O-N 3.31Å; V596-T598 PolarHBondContact O-N 3.43Å
597	G	83	Confident	90.8	Very high	7 Å²	7	46.9 Å²	46.9	7%	0.072	23%	0.228	C	C	.	.			trans	-76.3	95.2	-171.3	0	0	0	0	0	113	Y593 K599 F600 R601	Y593-G597 VanDerWaalsContact O-CA 3.25Å; Y593-G597 WeakPolarHBondContact O-CA 3.45Å; Y593-G597 PolarHBondContact O-N 2.98Å; G597-K599 VanDerWaalsContact C-N 3.29Å; G597-K599 PolarHBondContact O-N 2.76Å; G597-F600 PolarHBondContact O-N 2.91Å; G597-R601 WeakPolarHBondContact O-CB 3.24Å; G597-R601 PolarHBondContact O-N 3.49Å
598	T	84.5	Confident	90.4	Very high	38 Å²	38	50.2 Å²	50.2	23%	0.233	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-34.5	-179.4	74.1	0	0	0	0	112.8	Q528 V596 K602	Q528-T598 VanDerWaalsContact CD-OG1 3.26Å; Q528-T598 PolarHBondContact NE2-OG1 3.02Å; Q528-T598 VanDerWaalsContact NE2-OG1 3.15Å; Q528-T598 PolarHBondContact OE1-OG1 3.27Å; V596-T598 PolarHBondContact O-N 3.43Å; T598-K602 WeakPolarHBondContact O-CB 3.43Å; T598-K602 VanDerWaalsContact O-CG 3.25Å; T598-K602 WeakPolarHBondContact O-CG 3.47Å; T598-K602 PolarHBondContact O-N 3.48Å
599	K	82.3	Confident	90.1	Very high	49 Å²	49	54.5 Å²	54.5	21%	0.213	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-47.2	175.5	-172.2	179.2	-169.8	173.2	0	111.6	L138 T141 E525 G597 R601 K602 E603	L138-K599 HydrophobicContact CD2-CD 4.41Å; L138-K599 HydrophobicContact CD2-CG 4.3Å; T141-K599 PolarHBondContact OG1-NZ 3.38Å; E525-K599 IonicContact OE2-NZ 3.97Å; G597-K599 VanDerWaalsContact C-N 3.29Å; G597-K599 PolarHBondContact O-N 2.76Å; K599-R601 PolarHBondContact O-N 3.25Å; K599-K602 PolarHBondContact O-N 3.49Å; K599-E603 PolarHBondContact O-N 3Å
600	F	88.7	Confident	89.2	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-52.5	174.8	-175.4	-87.4	0	0	0	110.4	I134 F135 F590 Y593 G597 K602 E603 F604	I134-F600 HydrophobicContact CB-CD2 4.24Å; I134-F600 HydrophobicContact CB-CE2 3.67Å; I134-F600 HydrophobicContact CB-CZ 4.09Å; I134-F600 HydrophobicContact CG1-CE2 4.31Å; I134-F600 HydrophobicContact CG1-CZ 4.22Å; I134-F600 HydrophobicContact CG2-CD2 3.5Å; I134-F600 HydrophobicContact CG2-CE2 3.48Å; I134-F600 VanDerWaalsContact CG2-CE2 3.48Å; I134-F600 HydrophobicContact CG2-CG 4.19Å; I134-F600 HydrophobicContact CG2-CZ 4.13Å; F135-F600 HydrophobicContact CD2-CD2 4.46Å; F135-F600 HydrophobicContact CD2-CE2 4.12Å; F135-F600 HydrophobicContact CE1-CD2 4.42Å; F135-F600 AromaticContact CE2-CD2 3.83Å; F135-F600 HydrophobicContact CE2-CD2 3.83Å; F135-F600 AromaticContact CE2-CE2 3.73Å; F135-F600 HydrophobicContact CE2-CE2 3.73Å; F135-F600 AromaticContact CZ-CD2 3.8Å; F135-F600 HydrophobicContact CZ-CD2 3.8Å; F135-F600 HydrophobicContact CZ-CE2 4.19Å; F590-F600 AromaticContact CD2-CE1 3.91Å; F590-F600 HydrophobicContact CD2-CE1 3.91Å; F590-F600 AromaticContact CD2-CZ 3.69Å; F590-F600 HydrophobicContact CD2-CZ 3.69Å; F590-F600 AromaticContact CE2-CE1 3.68Å; F590-F600 HydrophobicContact CE2-CE1 3.68Å; F590-F600 AromaticContact CE2-CZ 3.75Å; F590-F600 HydrophobicContact CE2-CZ 3.75Å; Y593-F600 HydrophobicContact CD2-CD2 4.5Å; Y593-F600 HydrophobicContact CD2-CE2 4.03Å; Y593-F600 HydrophobicContact CD2-CZ 4.21Å; Y593-F600 HydrophobicContact CG-CD2 4.43Å; Y593-F600 HydrophobicContact CG-CE2 4.36Å; G597-F600 PolarHBondContact O-N 2.91Å; F600-K602 VanDerWaalsContact C-N 3.32Å; F600-K602 PolarHBondContact O-N 3.17Å; F600-E603 PolarHBondContact O-N 3.43Å; F600-E603 VanDerWaalsContact O-N 3.12Å; F600-F604 HydrophobicContact CE1-CB 4.43Å; F600-F604 WeakPolarHBondContact O-CB 3.46Å; F600-F604 PolarHBondContact O-N 2.93Å
601	R	91.3	Very high	88	Confident	87 Å²	87	60.6 Å²	60.6	33%	0.328	30%	0.297	S	S	.	.	H	α-helix	trans	-61.2	-35.2	178.7	-171.9	169	54.2	-144.6	3.7	113.4	C594 A595 G597 K599 K605	C594-R601 PolarHBondContact O-NH1 2.86Å; A595-R601 PolarHBondContact O-NH1 3.17Å; G597-R601 WeakPolarHBondContact O-CB 3.24Å; G597-R601 PolarHBondContact O-N 3.49Å; K599-R601 PolarHBondContact O-N 3.25Å; R601-K605 WeakPolarHBondContact O-CB 3.44Å; R601-K605 VanDerWaalsContact O-CG 3.27Å; R601-K605 WeakPolarHBondContact O-CG 3.19Å; R601-K605 PolarHBondContact O-N 2.62Å
602	K	89.8	Confident	86.7	Confident	128 Å²	128	61.5 Å²	61.5	56%	0.557	31%	0.308	S	S	*	.	H	α-helix	trans	-63.9	-46.2	173.4	-80.2	173	-177	178.6	0	111.4	T598 K599 F600 K606	T598-K602 WeakPolarHBondContact O-CB 3.43Å; T598-K602 VanDerWaalsContact O-CG 3.25Å; T598-K602 WeakPolarHBondContact O-CG 3.47Å; T598-K602 PolarHBondContact O-N 3.48Å; K599-K602 PolarHBondContact O-N 3.49Å; F600-K602 VanDerWaalsContact C-N 3.32Å; F600-K602 PolarHBondContact O-N 3.17Å; K602-K606 WeakPolarHBondContact O-CG 3.46Å; K602-K606 PolarHBondContact O-N 3.07Å
603	E	90.3	Very high	85.5	Confident	24 Å²	24	67.5 Å²	67.5	11%	0.112	33%	0.333	C	S	.	.	H	α-helix	trans	-69.6	-38.6	177.5	-71.4	-50.1	124.1	0	0	112.5	I134 K137 L138 K599 F600 K605 K606 F607	I134-E603 HydrophobicContact CD1-CB 4.4Å; I134-E603 HydrophobicContact CG2-CB 4.09Å; K137-E603 WeakPolarHBondContact CE-OE2 3.33Å; K137-E603 IonicContact NZ-OE2 2.77Å; K137-E603 PolarHBondContact NZ-OE2 3.2Å; L138-E603 HydrophobicContact CD1-CG 4.49Å; L138-E603 HydrophobicContact CD2-CG 3.64Å; L138-E603 HydrophobicContact CG-CG 4.16Å; K599-E603 PolarHBondContact O-N 3Å; F600-E603 PolarHBondContact O-N 3.43Å; F600-E603 VanDerWaalsContact O-N 3.12Å; E603-K605 PolarHBondContact O-N 3.08Å; E603-K606 WeakPolarHBondContact O-CB 3.43Å; E603-K606 PolarHBondContact O-N 2.58Å; E603-K606 VanDerWaalsContact O-N 3.15Å; E603-K606 WeakPolarHBondContact OE1-CD 3.37Å; E603-K606 IonicContact OE1-NZ 2.67Å; E603-K606 PolarHBondContact OE1-NZ 3.3Å; E603-F607 WeakPolarHBondContact O-CB 3.4Å; E603-F607 PolarHBondContact O-N 3.32Å
604	F	93	Very high	84.3	Confident	33 Å²	33	74.4 Å²	74.4	15%	0.145	36%	0.363	C	S	.	.	H	α-helix	trans	-60.8	-45.6	174.2	-177	-119.2	0	0	0	112	F130 I134 F590 F600 K606 F607 L608	F130-F604 HydrophobicContact CB-CE2 4.28Å; F130-F604 AromaticContact CD1-CE2 3.8Å; F130-F604 HydrophobicContact CD1-CE2 3.8Å; F130-F604 HydrophobicContact CD2-CE2 4.13Å; F130-F604 HydrophobicContact CE1-CE2 4.12Å; F130-F604 HydrophobicContact CE2-CE2 4.41Å; F130-F604 AromaticContact CG-CE2 3.82Å; F130-F604 HydrophobicContact CG-CE2 3.82Å; F130-F604 HydrophobicContact CZ-CE2 4.42Å; I134-F604 HydrophobicContact CD1-CB 4.3Å; I134-F604 HydrophobicContact CD1-CD2 4.41Å; I134-F604 HydrophobicContact CG1-CB 4.46Å; I134-F604 HydrophobicContact CG1-CD2 4.36Å; F590-F604 HydrophobicContact CE2-CD2 4.36Å; F590-F604 HydrophobicContact CE2-CE2 4.2Å; F590-F604 HydrophobicContact CE2-CZ 4.45Å; F590-F604 HydrophobicContact CZ-CD2 4.44Å; F590-F604 HydrophobicContact CZ-CE1 4.11Å; F590-F604 AromaticContact CZ-CE2 3.94Å; F590-F604 HydrophobicContact CZ-CE2 3.94Å; F590-F604 AromaticContact CZ-CZ 3.76Å; F590-F604 HydrophobicContact CZ-CZ 3.76Å; F600-F604 HydrophobicContact CE1-CB 4.43Å; F600-F604 WeakPolarHBondContact O-CB 3.46Å; F600-F604 PolarHBondContact O-N 2.93Å; F604-K606 VanDerWaalsContact C-N 3.31Å; F604-K606 PolarHBondContact O-N 2.91Å; F604-F607 WeakPolarHBondContact O-CB 3.4Å; F604-F607 PolarHBondContact O-N 2.97Å; F604-L608 HydrophobicContact CD1-CD1 4.2Å; F604-L608 HydrophobicContact CE1-CD1 3.68Å; F604-L608 HydrophobicContact CE1-CG 4.46Å; F604-L608 HydrophobicContact CE2-CD1 4.3Å; F604-L608 HydrophobicContact CE2-CD2 4.37Å; F604-L608 HydrophobicContact CE2-CG 4.25Å; F604-L608 HydrophobicContact CZ-CD1 3.73Å; F604-L608 HydrophobicContact CZ-CD2 4.32Å; F604-L608 HydrophobicContact CZ-CG 4.16Å; F604-L608 PolarHBondContact O-N 2.95Å
605	K	92.5	Very high	82.8	Confident	125 Å²	125	82.8 Å²	82.8	54%	0.543	39%	0.391	S	S	.	.	H	α-helix	trans	-61.3	-37.4	173.2	-75.4	-179.2	179.7	-170.1	0	112.6	R601 E603 K609	R601-K605 WeakPolarHBondContact O-CB 3.44Å; R601-K605 VanDerWaalsContact O-CG 3.27Å; R601-K605 WeakPolarHBondContact O-CG 3.19Å; R601-K605 PolarHBondContact O-N 2.62Å; E603-K605 PolarHBondContact O-N 3.08Å; K605-K609 WeakPolarHBondContact O-CB 3.36Å; K605-K609 VanDerWaalsContact O-CG 3.3Å; K605-K609 WeakPolarHBondContact O-CG 3.23Å; K605-K609 PolarHBondContact O-N 3.47Å; K605-K609 VanDerWaalsContact O-N 3.08Å
606	K	90.2	Very high	81.5	Confident	107 Å²	107	88.2 Å²	88.2	47%	0.465	40%	0.402	S	S	.	.	H	α-helix	trans	-66.3	-42.2	174.6	-74.3	175.9	-172.5	170.9	0	111.4	K602 E603 F604 K609 C610	K602-K606 WeakPolarHBondContact O-CG 3.46Å; K602-K606 PolarHBondContact O-N 3.07Å; E603-K606 WeakPolarHBondContact O-CB 3.43Å; E603-K606 PolarHBondContact O-N 2.58Å; E603-K606 VanDerWaalsContact O-N 3.15Å; E603-K606 WeakPolarHBondContact OE1-CD 3.37Å; E603-K606 IonicContact OE1-NZ 2.67Å; E603-K606 PolarHBondContact OE1-NZ 3.3Å; F604-K606 VanDerWaalsContact C-N 3.31Å; F604-K606 PolarHBondContact O-N 2.91Å; K606-K609 PolarHBondContact O-N 3.01Å; K606-C610 PolarHBondContact O-N 2.89Å; K606-C610 PolarHBondContact O-SG 3.11Å
607	F	88.6	Confident	79.7	Confident	59 Å²	59	98.5 Å²	98.5	26%	0.259	44%	0.438	S	S	.	.	H	α-helix	trans	-57.5	-53.8	177.1	-178.4	-93.5	0	0	0	110.6	F130 L133 I134 E603 F604 K609 C610 E611	F130-F607 HydrophobicContact CD1-CE1 4.23Å; F130-F607 HydrophobicContact CE1-CD1 4.42Å; F130-F607 AromaticContact CE1-CE1 3.91Å; F130-F607 HydrophobicContact CE1-CE1 3.91Å; L133-F607 HydrophobicContact CD1-CE2 4.3Å; L133-F607 HydrophobicContact CD1-CZ 3.83Å; I134-F607 HydrophobicContact CD1-CB 3.9Å; I134-F607 HydrophobicContact CD1-CG 4.27Å; E603-F607 WeakPolarHBondContact O-CB 3.4Å; E603-F607 PolarHBondContact O-N 3.32Å; F604-F607 WeakPolarHBondContact O-CB 3.4Å; F604-F607 PolarHBondContact O-N 2.97Å; F607-K609 VanDerWaalsContact C-N 3.33Å; F607-K609 PolarHBondContact O-N 3.36Å; F607-C610 PolarHBondContact O-N 3.37Å; F607-E611 PolarHBondContact O-N 3.47Å
608	L	89.6	Confident	79.5	Confident	74 Å²	74	103.1 Å²	103.1	39%	0.387	46%	0.456	S	S	.	.	H	α-helix	trans	-59	-39.9	176.6	-65.8	176.8	0	0	0	113	F604 L612	F604-L608 HydrophobicContact CD1-CD1 4.2Å; F604-L608 HydrophobicContact CE1-CD1 3.68Å; F604-L608 HydrophobicContact CE1-CG 4.46Å; F604-L608 HydrophobicContact CE2-CD1 4.3Å; F604-L608 HydrophobicContact CE2-CD2 4.37Å; F604-L608 HydrophobicContact CE2-CG 4.25Å; F604-L608 HydrophobicContact CZ-CD1 3.73Å; F604-L608 HydrophobicContact CZ-CD2 4.32Å; F604-L608 HydrophobicContact CZ-CG 4.16Å; F604-L608 PolarHBondContact O-N 2.95Å; L608-L612 WeakPolarHBondContact O-CG 3.27Å; L608-L612 PolarHBondContact O-N 3.2Å; L608-L612 VanDerWaalsContact O-N 3.12Å
609	K	87.5	Confident	79.2	Confident	142 Å²	142	106.5 Å²	106.5	62%	0.617	47%	0.468	S	S	*	.	H	α-helix	trans	-69	-34.9	177.5	-76.8	-177.4	179.6	-169	0	113.7	K605 K606 F607 E611 L612 K613	K605-K609 WeakPolarHBondContact O-CB 3.36Å; K605-K609 VanDerWaalsContact O-CG 3.3Å; K605-K609 WeakPolarHBondContact O-CG 3.23Å; K605-K609 PolarHBondContact O-N 3.47Å; K605-K609 VanDerWaalsContact O-N 3.08Å; K606-K609 PolarHBondContact O-N 3.01Å; F607-K609 VanDerWaalsContact C-N 3.33Å; F607-K609 PolarHBondContact O-N 3.36Å; K609-E611 VanDerWaalsContact C-N 3.33Å; K609-L612 PolarHBondContact O-N 3.21Å; K609-K613 PolarHBondContact O-N 3.19Å
610	C	74.2	Confident	79.1	Confident	70 Å²	70	109.7 Å²	109.7	47%	0.473	48%	0.482	S	S	.	.	H	α-helix	trans	-66.7	-39.9	178	-68.2	0	0	0	0	110.7	K606 F607 L612 K613 K614	K606-C610 PolarHBondContact O-N 2.89Å; K606-C610 PolarHBondContact O-SG 3.11Å; F607-C610 PolarHBondContact O-N 3.37Å; C610-L612 VanDerWaalsContact C-N 3.35Å; C610-K613 PolarHBondContact O-N 3.46Å; C610-K614 PolarHBondContact O-N 2.87Å
611	E	69.7	Low	78.5	Confident	72 Å²	72	115.8 Å²	115.8	34%	0.336	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-40	173.8	-67.3	-54.2	131.2	0	0	111.9	F607 K609 K613 K614 R615	F607-E611 PolarHBondContact O-N 3.47Å; K609-E611 VanDerWaalsContact C-N 3.33Å; E611-K613 VanDerWaalsContact C-N 3.34Å; E611-K613 PolarHBondContact O-N 2.69Å; E611-K614 PolarHBondContact O-N 3.24Å; E611-K614 IonicContact OE1-NZ 2.74Å; E611-R615 WeakPolarHBondContact O-CG 3.46Å; E611-R615 PolarHBondContact O-N 3.45Å; E611-R615 VanDerWaalsContact O-N 3.14Å
612	L	68.2	Low	77.7	Confident	110 Å²	110	117.6 Å²	117.6	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-66.8	-32	174.8	-69.7	172.6	0	0	0	113.5	L608 K609 C610	L608-L612 WeakPolarHBondContact O-CG 3.27Å; L608-L612 PolarHBondContact O-N 3.2Å; L608-L612 VanDerWaalsContact O-N 3.12Å; K609-L612 PolarHBondContact O-N 3.21Å; C610-L612 VanDerWaalsContact C-N 3.35Å
613	K	67.8	Low	76.9	Confident	148 Å²	148	116.9 Å²	116.9	64%	0.643	52%	0.517	S	S	*	.	H	α-helix	trans	-74.9	-39.5	175.3	-78	-171.4	176.5	-169.7	0	112	K609 C610 E611 R615 K616 Y617	K609-K613 PolarHBondContact O-N 3.19Å; C610-K613 PolarHBondContact O-N 3.46Å; E611-K613 VanDerWaalsContact C-N 3.34Å; E611-K613 PolarHBondContact O-N 2.69Å; K613-R615 PolarHBondContact O-N 2.82Å; K613-K616 PolarHBondContact O-N 3.49Å; K613-K616 VanDerWaalsContact O-N 3.1Å; K613-Y617 VanDerWaalsContact O-CD2 3.31Å; K613-Y617 WeakPolarHBondContact O-CD2 3.4Å
614	K	67.7	Low	75.9	Confident	146 Å²	146	123.5 Å²	123.5	64%	0.635	55%	0.546	S	S	*	.	H	α-helix	trans	-62.9	-27.3	174.4	-77.1	-177.3	178.6	177.8	0	113.2	C610 E611 K616	C610-K614 PolarHBondContact O-N 2.87Å; E611-K614 PolarHBondContact O-N 3.24Å; E611-K614 IonicContact OE1-NZ 2.74Å; K614-K616 VanDerWaalsContact C-N 3.33Å
615	R	61.5	Low	74.6	Confident	205 Å²	205	130.5 Å²	130.5	77%	0.774	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-8.9	174.3	-70.3	-178.6	-177	-167.1	-0.4	114.3	E611 K613	E611-R615 WeakPolarHBondContact O-CG 3.46Å; E611-R615 PolarHBondContact O-N 3.45Å; E611-R615 VanDerWaalsContact O-N 3.14Å; K613-R615 PolarHBondContact O-N 2.82Å
616	K	63.3	Low	73.1	Confident	180 Å²	180	130.9 Å²	130.9	78%	0.783	58%	0.58	S	S	*	*			trans	-99	-7.1	179.4	-79.3	-171.1	175.3	-165.8	0	113.6	K613 K614	K613-K616 PolarHBondContact O-N 3.49Å; K613-K616 VanDerWaalsContact O-N 3.1Å; K614-K616 VanDerWaalsContact C-N 3.33Å
617	Y	49.1	Very low	71.6	Confident	258 Å²	258	133.1 Å²	133.1	100%	1.012	59%	0.59	S	S	*	*			trans	-116.8	0	170.6	-65.4	-77.9	0	0	0	107.7	K613	K613-Y617 VanDerWaalsContact O-CD2 3.31Å; K613-Y617 WeakPolarHBondContact O-CD2 3.4Å

Retrieved 617 of 617 residues in 215.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).