A0A060VUB8_ONCMY Loading...

Transmembrane 9 superfamily member

AlphaFold DB , UniProt , Accession A0A060VUB8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110526503, Length 586 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	39	Very low	248 Å²	248	125 Å²	125	100%	1.222	67%	0.665	S	S	*	*				0	29.1	0	-117	159.3	150.6	0	0	113.9
2	G	34.4	Very low	38.9	Very low	65 Å²	65	118.8 Å²	118.8	67%	0.67	65%	0.645	S	S	*	*			trans	-124	-3.7	-174.7	0	0	0	0	0	116.7
3	S	37.5	Very low	38.9	Very low	95 Å²	95	123.5 Å²	123.5	66%	0.664	66%	0.656	S	S	*	*	S	Bend	trans	-92.3	-21.9	-175	172.7	0	0	0	0	113.9
4	S	39.5	Very low	38.8	Very low	79 Å²	79	124.9 Å²	124.9	55%	0.552	65%	0.654	S	S	*	*	H	α-helix	trans	-78.8	-28.8	-178.2	168	0	0	0	0	113.5	W6 I8	S4-W6 PolarHBondContact O-N 2.93Å; S4-I8 WeakPolarHBondContact O-CD1 3.37Å; S4-I8 VanDerWaalsContact O-CG1 3.26Å; S4-I8 WeakPolarHBondContact O-CG1 3.47Å; S4-I8 PolarHBondContact O-N 3.3Å
5	R	35.7	Very low	38.7	Very low	202 Å²	202	119.7 Å²	119.7	76%	0.762	63%	0.633	S	S	*	*	H	α-helix	trans	-73.8	-24.9	-174.7	-64.4	-176	77.8	-178.2	4	114	A9	R5-A9 WeakPolarHBondContact O-CB 3.35Å; R5-A9 PolarHBondContact O-N 3.46Å; R5-A9 VanDerWaalsContact O-N 3.1Å
6	W	37.7	Very low	38.3	Very low	208 Å²	208	122.8 Å²	122.8	79%	0.788	64%	0.639	S	S	*	*	H	α-helix	trans	-78.9	-36.9	178.6	-133.8	67.7	0	0	0	112	S4 I8 A9 V10	S4-W6 PolarHBondContact O-N 2.93Å; W6-I8 VanDerWaalsContact C-N 3.32Å; W6-I8 PolarHBondContact O-N 2.72Å; W6-A9 PolarHBondContact O-N 3.11Å; W6-V10 PolarHBondContact O-N 2.74Å
7	K	36.4	Very low	38	Very low	157 Å²	157	120.4 Å²	120.4	68%	0.683	64%	0.642	S	S	*	*	H	α-helix	trans	-61.5	-41.9	170.4	-65.6	-167.2	176.5	-166.2	0	111.4	V11	K7-V11 WeakPolarHBondContact O-CB 3.27Å; K7-V11 WeakPolarHBondContact O-CG2 3.42Å; K7-V11 PolarHBondContact O-N 2.63Å; K7-V11 VanDerWaalsContact O-N 3.12Å
8	I	43.2	Very low	37.8	Very low	102 Å²	102	121.3 Å²	121.3	52%	0.523	64%	0.641	S	S	.	*	H	α-helix	trans	-68.4	-36.4	178.7	-63.1	164	0	0	0	111.7	S4 W6 A12	S4-I8 WeakPolarHBondContact O-CD1 3.37Å; S4-I8 VanDerWaalsContact O-CG1 3.26Å; S4-I8 WeakPolarHBondContact O-CG1 3.47Å; S4-I8 PolarHBondContact O-N 3.3Å; W6-I8 VanDerWaalsContact C-N 3.32Å; W6-I8 PolarHBondContact O-N 2.72Å; I8-A12 WeakPolarHBondContact O-CB 3.43Å; I8-A12 PolarHBondContact O-N 2.96Å
9	A	38.8	Very low	37.6	Very low	58 Å²	58	122.3 Å²	122.3	48%	0.479	65%	0.646	S	S	.	*	H	α-helix	trans	-73.1	-36.2	-178.1	0	0	0	0	0	113.6	R5 W6 F13	R5-A9 WeakPolarHBondContact O-CB 3.35Å; R5-A9 PolarHBondContact O-N 3.46Å; R5-A9 VanDerWaalsContact O-N 3.1Å; W6-A9 PolarHBondContact O-N 3.11Å; A9-F13 PolarHBondContact O-N 3.32Å
10	V	47.7	Very low	37.5	Very low	72 Å²	72	124.4 Å²	124.4	44%	0.436	66%	0.657	S	S	.	*	H	α-helix	trans	-74	-43.6	176.2	177.6	0	0	0	0	110.4	W6 A12 F13 F14	W6-V10 PolarHBondContact O-N 2.74Å; V10-A12 PolarHBondContact O-N 3.14Å; V10-F13 PolarHBondContact O-N 2.72Å; V10-F14 HydrophobicContact CG1-CD2 4.38Å; V10-F14 HydrophobicContact CG1-CE2 4.46Å; V10-F14 WeakPolarHBondContact O-CD2 3.24Å; V10-F14 PolarHBondContact O-N 2.81Å
11	V	42.3	Very low	37.4	Very low	89 Å²	89	125.5 Å²	125.5	54%	0.539	66%	0.66	S	S	.	*	H	α-helix	trans	-61.4	-45.1	174.2	173.4	0	0	0	0	110.6	K7 F13 F14 S15	K7-V11 WeakPolarHBondContact O-CB 3.27Å; K7-V11 WeakPolarHBondContact O-CG2 3.42Å; K7-V11 PolarHBondContact O-N 2.63Å; K7-V11 VanDerWaalsContact O-N 3.12Å; V11-F13 VanDerWaalsContact C-N 3.3Å; V11-F13 PolarHBondContact O-N 2.61Å; V11-F14 PolarHBondContact O-N 3.06Å; V11-S15 WeakPolarHBondContact O-CB 3.39Å; V11-S15 PolarHBondContact O-N 3.35Å; V11-S15 PolarHBondContact O-OG 2.9Å
12	A	37.9	Very low	37.4	Very low	51 Å²	51	118.8 Å²	118.8	42%	0.421	64%	0.635	S	S	.	*	H	α-helix	trans	-64.7	-28.9	-179.6	0	0	0	0	0	114.2	I8 V10 F16	I8-A12 WeakPolarHBondContact O-CB 3.43Å; I8-A12 PolarHBondContact O-N 2.96Å; V10-A12 PolarHBondContact O-N 3.14Å; A12-F16 WeakPolarHBondContact O-CB 3.46Å; A12-F16 PolarHBondContact O-N 2.83Å
13	F	37.8	Very low	37.4	Very low	180 Å²	180	122.6 Å²	122.6	79%	0.789	64%	0.639	S	S	*	*	H	α-helix	trans	-76.4	-29.5	177.6	-155.8	-92	0	0	0	112.3	A9 V10 V11	A9-F13 PolarHBondContact O-N 3.32Å; V10-F13 PolarHBondContact O-N 2.72Å; V11-F13 VanDerWaalsContact C-N 3.3Å; V11-F13 PolarHBondContact O-N 2.61Å
14	F	37.8	Very low	37.8	Very low	142 Å²	142	125 Å²	125	62%	0.623	64%	0.64	S	S	*	*	H	α-helix	trans	-79.5	-40.8	171	-81.7	-82.6	0	0	0	111.9	V10 V11 F16 A17	V10-F14 HydrophobicContact CG1-CD2 4.38Å; V10-F14 HydrophobicContact CG1-CE2 4.46Å; V10-F14 WeakPolarHBondContact O-CD2 3.24Å; V10-F14 PolarHBondContact O-N 2.81Å; V11-F14 PolarHBondContact O-N 3.06Å; F14-F16 VanDerWaalsContact C-N 3.34Å; F14-F16 PolarHBondContact O-N 3.22Å; F14-A17 PolarHBondContact O-N 2.93Å
15	S	38.2	Very low	38.5	Very low	48 Å²	48	123.1 Å²	123.1	34%	0.336	63%	0.629	S	S	.	*	H	α-helix	trans	-68.8	-24.5	-179.3	-54.2	0	0	0	0	114.7	V11 A17 E18	V11-S15 WeakPolarHBondContact O-CB 3.39Å; V11-S15 PolarHBondContact O-N 3.35Å; V11-S15 PolarHBondContact O-OG 2.9Å; S15-A17 VanDerWaalsContact C-N 3.28Å; S15-A17 PolarHBondContact O-N 3.08Å; S15-E18 PolarHBondContact O-N 3.16Å
16	F	32.2	Very low	39.6	Very low	169 Å²	169	115.4 Å²	115.4	74%	0.741	60%	0.603	S	S	*	*	H	α-helix	trans	-75.5	-17.8	178.6	-143.7	-92.9	0	0	0	112.9	A12 F14	A12-F16 WeakPolarHBondContact O-CB 3.46Å; A12-F16 PolarHBondContact O-N 2.83Å; F14-F16 VanDerWaalsContact C-N 3.34Å; F14-F16 PolarHBondContact O-N 3.22Å
17	A	33.4	Very low	41.1	Very low	82 Å²	82	106.6 Å²	106.6	68%	0.678	57%	0.57	S	S	*	*	H	α-helix	trans	-82.7	-21.6	173.7	0	0	0	0	0	112.8	F14 S15	F14-A17 PolarHBondContact O-N 2.93Å; S15-A17 VanDerWaalsContact C-N 3.28Å; S15-A17 PolarHBondContact O-N 3.08Å
18	E	34	Very low	42.9	Very low	136 Å²	136	105.2 Å²	105.2	64%	0.636	57%	0.566	S	S	*	*	H	α-helix	trans	-85.1	-18.9	178.4	-73.2	174.2	163.5	0	0	113.6	S15 L20	S15-E18 PolarHBondContact O-N 3.16Å; E18-L20 PolarHBondContact O-N 3.29Å
19	L	33	Very low	44.5	Very low	141 Å²	141	104 Å²	104	74%	0.738	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	9.6	-170.4	-144.3	91.2	0	0	0	115.6
20	L	36.2	Very low	46.7	Very low	163 Å²	163	102.7 Å²	102.7	85%	0.853	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	6.7	-176.7	-92.1	159.3	0	0	0	114.3	E18	E18-L20 PolarHBondContact O-N 3.29Å
21	M	35.4	Very low	48.6	Very low	149 Å²	149	101 Å²	101	73%	0.734	53%	0.531	S	S	*	.	S	Bend	trans	-100.9	137.7	174.4	-64.1	-154.8	-94.1	0	0	111.4	I23	M21-I23 PolarHBondContact O-N 3.19Å
22	P	35.9	Very low	50.8	Low	107 Å²	107	96.8 Å²	96.8	70%	0.695	51%	0.506	S	S	*	.			trans	-62.6	133.6	173.3	26.6	-31.3	0	0	0	109.6	E24	P22-E24 PolarHBondContact O-N 3.26Å; P22-E24 VanDerWaalsContact O-N 3.11Å
23	I	35.6	Very low	53.3	Low	145 Å²	145	98 Å²	98	74%	0.744	51%	0.508	S	S	*	.			trans	-74.4	94.8	175	-60.9	170	0	0	0	106.7	M21 E29	M21-I23 PolarHBondContact O-N 3.19Å; I23-E29 WeakPolarHBondContact CA-OE1 3.21Å; I23-E29 WeakPolarHBondContact CG2-OE1 3.39Å; I23-E29 VanDerWaalsContact CG2-OE2 3.24Å; I23-E29 WeakPolarHBondContact CG2-OE2 3.29Å
24	E	45.4	Very low	55.8	Low	146 Å²	146	94.3 Å²	94.3	68%	0.682	50%	0.497	S	S	*	.			trans	-98.2	121.4	169	-87.4	176.6	157	0	0	108	P22 D26	P22-E24 PolarHBondContact O-N 3.26Å; P22-E24 VanDerWaalsContact O-N 3.11Å; E24-D26 PolarHBondContact O-N 3.46Å; E24-D26 VanDerWaalsContact O-N 3.14Å
25	A	53.4	Low	58.3	Low	39 Å²	39	94.6 Å²	94.6	32%	0.322	50%	0.498	S	S	.	.			trans	-61.5	113.7	167.4	0	0	0	0	0	107.4	T31 T33	A25-T31 CarbonylContact C-O 3.44Å; A25-T31 WeakPolarHBondContact CA-O 3.47Å; A25-T31 WeakPolarHBondContact CB-O 3.12Å; A25-T33 HydrophobicContact CB-CG2 4.21Å
26	D	60.3	Low	60.7	Low	40 Å²	40	93.9 Å²	93.9	21%	0.214	49%	0.489	C	S	.	.	S	Bend	trans	-163.4	179.5	-179.3	-160.4	-1	0	0	0	109.8	E24 H28 E29 H30 T31	E24-D26 PolarHBondContact O-N 3.46Å; E24-D26 VanDerWaalsContact O-N 3.14Å; D26-H28 PolarHBondContact O-N 3.29Å; D26-H28 VanDerWaalsContact O-N 3.07Å; D26-E29 PolarHBondContact O-N 3.46Å; D26-H30 PolarHBondContact O-N 3.23Å; D26-H30 VanDerWaalsContact O-N 3.1Å; D26-T31 PolarHBondContact N-O 3.19Å
27	E	68.1	Low	63.3	Low	23 Å²	23	88.5 Å²	88.5	11%	0.107	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-22.8	174.5	66.1	177.6	-171.9	0	0	114	H30 W41	E27-H30 PolarHBondContact O-CE1 3.46Å; E27-H30 PolarHBondContact O-ND1 3.34Å; E27-H30 VanDerWaalsContact O-ND1 3.15Å; E27-W41 PolarHBondContact OE2-NE1 2.97Å
28	H	73.5	Confident	65.9	Low	127 Å²	127	84.7 Å²	84.7	59%	0.588	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-31.9	176.1	-66.5	-55.1	0	0	0	113.9	D26	D26-H28 PolarHBondContact O-N 3.29Å; D26-H28 VanDerWaalsContact O-N 3.07Å
29	E	77.6	Confident	68.5	Low	77 Å²	77	78.5 Å²	78.5	36%	0.36	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	0.9	175.7	-66.1	-166	169	0	0	112.3	I23 D26 T31	I23-E29 WeakPolarHBondContact CA-OE1 3.21Å; I23-E29 WeakPolarHBondContact CG2-OE1 3.39Å; I23-E29 VanDerWaalsContact CG2-OE2 3.24Å; I23-E29 WeakPolarHBondContact CG2-OE2 3.29Å; D26-E29 PolarHBondContact O-N 3.46Å; E29-T31 PolarHBondContact O-N 3.34Å; E29-T31 PolarHBondContact O-OG1 3.4Å
30	H	84.6	Confident	71.3	Confident	30 Å²	30	71.9 Å²	71.9	14%	0.139	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	30.6	-176.7	-55.9	-61.9	0	0	0	113.5	D26 E27 D132 D133 R166 F201 R204	D26-H30 PolarHBondContact O-N 3.23Å; D26-H30 VanDerWaalsContact O-N 3.1Å; E27-H30 PolarHBondContact O-CE1 3.46Å; E27-H30 PolarHBondContact O-ND1 3.34Å; E27-H30 VanDerWaalsContact O-ND1 3.15Å; H30-D132 IonicContact CE1-OD1 3.77Å; H30-D132 IonicContact CG-OD1 2.72Å; H30-D132 IonicContact ND1-OD1 2.9Å; H30-D132 PolarHBondContact ND1-OD1 3.21Å; H30-D132 IonicContact ND1-OD2 2.63Å; H30-D133 IonicContact CE1-OD2 3.76Å; H30-D133 PolarHBondContact CE1-OD2 2.86Å; H30-D133 IonicContact NE2-OD2 2.93Å; H30-R166 WeakPolarHBondContact O-CD 3.39Å; H30-R166 WeakPolarHBondContact O-CG 3.35Å; H30-F201 HydrophobicContact CB-CE1 4.49Å; H30-F201 HydrophobicContact CB-CE2 3.57Å; H30-F201 HydrophobicContact CB-CZ 3.38Å; H30-F201 AromaticContact CD2-CZ 3.7Å; H30-F201 AromaticContact CG-CZ 3.63Å; H30-R204 PolarHBondContact CE1-NH2 3.32Å
31	T	87.8	Confident	73.8	Confident	36 Å²	36	64.4 Å²	64.4	22%	0.221	33%	0.332	C	S	.	.			trans	-134.4	124.9	-174.4	-56.3	0	0	0	0	108.6	A25 D26 E29 N165 R166	A25-T31 CarbonylContact C-O 3.44Å; A25-T31 WeakPolarHBondContact CA-O 3.47Å; A25-T31 WeakPolarHBondContact CB-O 3.12Å; D26-T31 PolarHBondContact N-O 3.19Å; E29-T31 PolarHBondContact O-N 3.34Å; E29-T31 PolarHBondContact O-OG1 3.4Å; T31-N165 WeakPolarHBondContact CA-O 3.25Å; T31-N165 HydrophobicContact CG2-CB 4.07Å; T31-R166 PolarHBondContact OG1-NE 3.04Å
32	Y	89.1	Confident	76.4	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.008	30%	0.298	C	S	.	.			trans	-120.6	142.1	-170.4	-60.1	-84	0	0	0	111.5	V38 F95 D132 N165 I167	Y32-V38 HydrophobicContact CD1-CG2 4.15Å; Y32-V38 HydrophobicContact CE1-CG2 4.16Å; Y32-F95 HydrophobicContact CD2-CD2 4.25Å; Y32-F95 HydrophobicContact CD2-CE2 4.3Å; Y32-F95 HydrophobicContact CG-CD2 4.1Å; Y32-F95 HydrophobicContact CG-CG 4.27Å; Y32-D132 HydrophobicContact CE2-CB 4.48Å; Y32-D132 WeakPolarHBondContact OH-CB 3.5Å; Y32-D132 PolarHBondContact OH-OD1 3.1Å; Y32-D132 VanDerWaalsContact OH-OD1 3.08Å; Y32-N165 PolarHBondContact N-O 3.07Å; Y32-N165 WeakPolarHBondContact O-CB 3.31Å; Y32-I167 HydrophobicContact CD2-CD1 4.14Å; Y32-I167 HydrophobicContact CD2-CG1 4.02Å; Y32-I167 HydrophobicContact CE2-CB 4.45Å; Y32-I167 HydrophobicContact CE2-CD1 3.59Å; Y32-I167 HydrophobicContact CE2-CG1 3.75Å
33	T	90.8	Very high	79	Confident	76 Å²	76	52.8 Å²	52.8	47%	0.466	27%	0.267	S	S	.	.			trans	-84.8	157.2	166.2	63.7	0	0	0	0	111.1	A25 K35 E36 F95	A25-T33 HydrophobicContact CB-CG2 4.21Å; T33-K35 PolarHBondContact O-N 3.37Å; T33-E36 WeakPolarHBondContact CA-OE2 3.48Å; T33-E36 VanDerWaalsContact CB-OE2 3.29Å; T33-E36 WeakPolarHBondContact CB-OE2 3.44Å; T33-E36 PolarHBondContact N-OE2 2.94Å; T33-E36 WeakPolarHBondContact O-CB 3.31Å; T33-E36 PolarHBondContact O-N 3.02Å; T33-E36 PolarHBondContact OG1-OE2 3.25Å; T33-F95 WeakPolarHBondContact O-CD1 3.41Å
34	D	89.6	Confident	81.7	Confident	103 Å²	103	46 Å²	46	55%	0.551	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	130.2	-178.7	-72.3	-3.7	0	0	0	110.5	E36 K96	D34-E36 PolarHBondContact O-N 2.93Å; D34-K96 WeakPolarHBondContact OD1-CD 3.41Å; D34-K96 IonicContact OD1-NZ 2.66Å; D34-K96 PolarHBondContact OD1-NZ 2.91Å
35	K	89.4	Confident	83.9	Confident	147 Å²	147	39.1 Å²	39.1	64%	0.639	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	12.2	-174.5	-50.6	-178.2	177.5	-177.1	0	115.6	T33 F95	T33-K35 PolarHBondContact O-N 3.37Å; K35-F95 WeakPolarHBondContact CA-O 3.44Å; K35-F95 PolarHBondContact N-O 3.46Å
36	E	88.6	Confident	85.8	Confident	34 Å²	34	37.2 Å²	37.2	16%	0.159	19%	0.185	C	C	.	.			trans	-61.9	151.9	167.5	-160	175.7	115.7	0	0	110.5	T33 D34 K94 F95	T33-E36 WeakPolarHBondContact CA-OE2 3.48Å; T33-E36 VanDerWaalsContact CB-OE2 3.29Å; T33-E36 WeakPolarHBondContact CB-OE2 3.44Å; T33-E36 PolarHBondContact N-OE2 2.94Å; T33-E36 WeakPolarHBondContact O-CB 3.31Å; T33-E36 PolarHBondContact O-N 3.02Å; T33-E36 PolarHBondContact OG1-OE2 3.25Å; D34-E36 PolarHBondContact O-N 2.93Å; E36-K94 CarbonylContact O-C 3.52Å; E36-K94 WeakPolarHBondContact O-CA 3.49Å; E36-F95 PolarHBondContact O-N 2.89Å
37	E	87.3	Confident	87.3	Confident	56 Å²	56	35.4 Å²	35.4	26%	0.262	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-66.2	135	177.3	174.6	164	-161.9	0	0	110.9	V39 K67	E37-V39 HydrophobicContact CG-CG2 4.16Å; E37-K67 VanDerWaalsContact OE1-CE 3.27Å; E37-K67 WeakPolarHBondContact OE1-CE 3.25Å; E37-K67 IonicContact OE1-NZ 2.72Å; E37-K67 PolarHBondContact OE1-NZ 3.15Å; E37-K67 IonicContact OE2-NZ 2.62Å; E37-K67 PolarHBondContact OE2-NZ 3.05Å
38	V	89.1	Confident	88.2	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	19%	0.191	C	C	.	.			trans	-116.8	117.6	171.3	177	0	0	0	0	107.5	Y32 I93 F95 I131 I167 W194	Y32-V38 HydrophobicContact CD1-CG2 4.15Å; Y32-V38 HydrophobicContact CE1-CG2 4.16Å; V38-I93 HydrophobicContact CB-CB 4.48Å; V38-I93 HydrophobicContact CB-CG2 4.07Å; V38-I93 HydrophobicContact CG1-CG2 4.45Å; V38-I93 PolarHBondContact N-O 3.08Å; V38-I93 WeakPolarHBondContact O-CB 3.44Å; V38-F95 HydrophobicContact CG2-CB 3.91Å; V38-F95 HydrophobicContact CG2-CD2 4.41Å; V38-I131 HydrophobicContact CG1-CG2 3.69Å; V38-I167 HydrophobicContact CG1-CD1 3.73Å; V38-I167 HydrophobicContact CG2-CD1 4.2Å; V38-W194 HydrophobicContact CG2-CH2 4.14Å; V38-W194 HydrophobicContact CG2-CZ2 4.36Å
39	V	88.3	Confident	88.7	Confident	7 Å²	7	36.6 Å²	36.6	4%	0.042	18%	0.176	C	C	.	.			trans	-84.9	127.7	-175.9	-175.3	0	0	0	0	110.5	E37 W41 F88	E37-V39 HydrophobicContact CG-CG2 4.16Å; V39-W41 HydrophobicContact CB-CZ2 4.37Å; V39-W41 HydrophobicContact CG1-CD2 3.73Å; V39-W41 HydrophobicContact CG1-CE3 4.3Å; V39-W41 HydrophobicContact CG1-CG 4.13Å; V39-W41 HydrophobicContact CG1-CH2 4.22Å; V39-W41 HydrophobicContact CG1-CZ2 3.63Å; V39-F88 HydrophobicContact CG1-CD2 3.7Å; V39-F88 HydrophobicContact CG1-CE2 3.84Å
40	L	90.5	Very high	89.3	Confident	1 Å²	1	33 Å²	33	1%	0.005	16%	0.16	C	C	.	.			trans	-96.7	113.1	165.8	172.1	71.9	0	0	0	108.9	M42 S89 L91 I93 M129 I131 I136 L158	L40-M42 HydrophobicContact CD2-CE 3.79Å; L40-M42 HydrophobicContact CG-CE 4.32Å; L40-S89 WeakPolarHBondContact CB-OG 3.26Å; L40-S89 WeakPolarHBondContact O-CB 3.04Å; L40-S89 PolarHBondContact O-N 2.93Å; L40-S89 PolarHBondContact O-OG 2.98Å; L40-L91 HydrophobicContact CD2-CD1 3.74Å; L40-I93 HydrophobicContact CB-CD1 3.9Å; L40-I93 HydrophobicContact CD2-CD1 4.41Å; L40-M129 HydrophobicContact CD1-CB 3.78Å; L40-M129 HydrophobicContact CD1-CE 4.43Å; L40-M129 HydrophobicContact CD1-SD 4.29Å; L40-M129 HydrophobicContact CD2-SD 4.3Å; L40-I131 HydrophobicContact CB-CD1 4.47Å; L40-I131 HydrophobicContact CB-CG1 4.16Å; L40-I131 HydrophobicContact CD1-CD1 3.85Å; L40-I131 HydrophobicContact CD1-CG1 3.48Å; L40-I131 VanDerWaalsContact CD1-CG1 3.48Å; L40-I131 HydrophobicContact CG-CG1 4.43Å; L40-I136 HydrophobicContact CD1-CD1 4.17Å; L40-L158 HydrophobicContact CD2-CD1 4.28Å
41	W	89.9	Confident	89.1	Confident	6 Å²	6	34.2 Å²	34.2	2%	0.023	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.8	178.2	-65.7	107.8	0	0	0	111	E27 V39 I70 Y73 L86 F88 M129 Y130	E27-W41 PolarHBondContact OE2-NE1 2.97Å; V39-W41 HydrophobicContact CB-CZ2 4.37Å; V39-W41 HydrophobicContact CG1-CD2 3.73Å; V39-W41 HydrophobicContact CG1-CE3 4.3Å; V39-W41 HydrophobicContact CG1-CG 4.13Å; V39-W41 HydrophobicContact CG1-CH2 4.22Å; V39-W41 HydrophobicContact CG1-CZ2 3.63Å; W41-I70 HydrophobicContact CH2-CG2 3.91Å; W41-Y73 VanDerWaalsContact CH2-CB 3.48Å; W41-Y73 HydrophobicContact CH2-CG 4.14Å; W41-Y73 HydrophobicContact CZ2-CD2 4.07Å; W41-Y73 HydrophobicContact CZ2-CG 4.04Å; W41-L86 HydrophobicContact CB-CB 4.27Å; W41-L86 HydrophobicContact CB-CD1 4.25Å; W41-L86 HydrophobicContact CB-CD2 4.14Å; W41-L86 HydrophobicContact CB-CG 4.45Å; W41-L86 HydrophobicContact CD2-CB 4.08Å; W41-L86 HydrophobicContact CD2-CD1 4.23Å; W41-L86 HydrophobicContact CE3-CB 3.71Å; W41-L86 HydrophobicContact CG-CB 4.36Å; W41-L86 HydrophobicContact CG-CD1 4.05Å; W41-L86 HydrophobicContact CZ3-CB 4.37Å; W41-F88 HydrophobicContact CZ3-CB 4.26Å; W41-M129 CarbonylContact O-C 3.58Å; W41-M129 WeakPolarHBondContact O-CA 3.41Å; W41-M129 WeakPolarHBondContact O-CB 3.48Å; W41-Y130 PolarHBondContact N-O 3.37Å; W41-Y130 PolarHBondContact O-N 3.07Å
42	M	90.6	Very high	89	Confident	7 Å²	7	33.4 Å²	33.4	3%	0.034	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.2	171.3	-61.1	-66.7	176.7	0	0	108.3	L40 Y57 F58 E87 S89 M129	L40-M42 HydrophobicContact CD2-CE 3.79Å; L40-M42 HydrophobicContact CG-CE 4.32Å; M42-Y57 HydrophobicContact CB-CD1 3.96Å; M42-Y57 HydrophobicContact CB-CD2 4.2Å; M42-Y57 HydrophobicContact CB-CG 3.72Å; M42-Y57 HydrophobicContact CE-CE1 4.43Å; M42-Y57 HydrophobicContact CG-CD1 4.01Å; M42-Y57 HydrophobicContact CG-CE1 4.25Å; M42-Y57 HydrophobicContact CG-CG 4.21Å; M42-Y57 HydrophobicContact SD-CD1 3.99Å; M42-Y57 HydrophobicContact SD-CD2 4.01Å; M42-Y57 HydrophobicContact SD-CE1 3.72Å; M42-Y57 HydrophobicContact SD-CE2 3.72Å; M42-Y57 HydrophobicContact SD-CG 4.13Å; M42-Y57 VanDerWaalsContact SD-CZ 3.58Å; M42-F58 HydrophobicContact CB-CE2 4.01Å; M42-F58 HydrophobicContact CB-CZ 4.41Å; M42-F58 HydrophobicContact CG-CE2 4.07Å; M42-F58 HydrophobicContact CG-CZ 3.97Å; M42-E87 WeakPolarHBondContact CB-O 3.34Å; M42-E87 PolarHBondContact N-O 2.9Å; M42-E87 PolarHBondContact O-N 3.43Å; M42-S89 VanDerWaalsContact CE-CB 3.4Å; M42-M129 HydrophobicContact CE-SD 3.67Å; M42-M129 HydrophobicContact SD-CB 4.46Å; M42-M129 HydrophobicContact SD-CG 3.54Å; M42-M129 VanDerWaalsContact SD-CG 3.54Å; M42-M129 HydrophobicContact SD-SD 3.43Å
43	N	89.9	Confident	89.1	Confident	5 Å²	5	34 Å²	34	3%	0.027	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-87.7	-177.7	-177.9	36.2	0	0	0	110.7	Y57 E85 L86 Q128 Y130	N43-Y57 PolarHBondContact O-N 2.85Å; N43-E85 PolarHBondContact OD1-N 3.36Å; N43-E85 VanDerWaalsContact OD1-N 3.11Å; N43-E85 PolarHBondContact OD1-O 3.49Å; N43-L86 HydrophobicContact CB-CD2 3.97Å; N43-Q128 HydrophobicContact CB-CB 4.33Å; N43-Q128 PolarHBondContact N-O 3.19Å; N43-Q128 VanDerWaalsContact N-O 3.07Å; N43-Q128 PolarHBondContact ND2-OE1 2.86Å; N43-Y130 HydrophobicContact CB-CD2 4.05Å; N43-Y130 HydrophobicContact CB-CE2 3.84Å
44	T	91.2	Very high	89	Confident	4 Å²	4	30.6 Å²	30.6	3%	0.025	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.7	-169.8	54.3	0	0	0	0	113.3	Y55 Y127 Q128	T44-Y55 CarbonylContact C-O 3.56Å; T44-Y55 WeakPolarHBondContact CA-O 3.42Å; T44-Y55 WeakPolarHBondContact CB-O 3.2Å; T44-Y127 CarbonylContact O-C 3.25Å; T44-Y127 VanDerWaalsContact O-CA 3.29Å; T44-Y127 WeakPolarHBondContact O-CA 3.18Å; T44-Q128 PolarHBondContact O-N 2.94Å
45	V	92.9	Very high	89.1	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	152.2	165.9	-63.6	0	0	0	0	109.8	Y55 K56 Y57 L60 W126	V45-Y55 PolarHBondContact N-O 3.43Å; V45-Y55 PolarHBondContact O-N 2.85Å; V45-K56 WeakPolarHBondContact CG2-O 3.49Å; V45-Y57 HydrophobicContact CG1-CD2 3.85Å; V45-Y57 HydrophobicContact CG1-CE2 4.36Å; V45-Y57 HydrophobicContact CG1-CG 4.32Å; V45-L60 HydrophobicContact CB-CD1 4.18Å; V45-L60 HydrophobicContact CG1-CD1 4.12Å; V45-L60 HydrophobicContact CG2-CD1 4.15Å; V45-L60 HydrophobicContact CG2-CG 4.2Å; V45-W126 CarbonylContact C-O 3.59Å; V45-W126 VanDerWaalsContact CA-O 3.27Å; V45-W126 WeakPolarHBondContact CA-O 3.42Å
46	G	92.3	Very high	89.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	168.4	174.7	0	0	0	0	0	113.5	Y125 W126	G46-Y125 CarbonylContact O-C 3.57Å; G46-Y125 VanDerWaalsContact O-CA 3.22Å; G46-Y125 WeakPolarHBondContact O-CA 3.39Å; G46-W126 PolarHBondContact N-O 2.81Å; G46-W126 PolarHBondContact O-N 3.38Å; G46-W126 PolarHBondContact O-NE1 2.68Å
47	P	91.3	Very high	89.2	Confident	2 Å²	2	22.9 Å²	22.9	1%	0.013	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	138.1	174.5	25.9	-36.5	0	0	0	112.5	H49 N50 E53 Y125 W126	P47-H49 VanDerWaalsContact C-N 3.29Å; P47-H49 PolarHBondContact O-N 2.88Å; P47-N50 HydrophobicContact CB-CB 4.45Å; P47-N50 HydrophobicContact CG-CB 3.75Å; P47-N50 CarbonylContact O-C 3.24Å; P47-N50 PolarHBondContact O-N 2.95Å; P47-E53 WeakPolarHBondContact CD-O 3.38Å; P47-E53 HydrophobicContact CG-CB 4.33Å; P47-Y125 HydrophobicContact CB-CD1 4.08Å; P47-Y125 HydrophobicContact CB-CE1 3.76Å; P47-Y125 HydrophobicContact CG-CE1 4.24Å; P47-W126 PolarHBondContact O-NE1 2.8Å
48	Y	87.1	Confident	89.4	Confident	113 Å²	113	22.2 Å²	22.2	44%	0.443	10%	0.096	S	C	.	.	S	Bend	trans	-62.9	-32.2	-177.9	-179.8	-102.4	0	0	0	114.2	R51 H124 W126	Y48-R51 VanDerWaalsContact CE2-NH2 3.26Å; Y48-R51 VanDerWaalsContact CZ-NH2 3.29Å; Y48-R51 WeakPolarHBondContact O-CG 3.43Å; Y48-R51 PolarHBondContact O-NE 3.4Å; Y48-R51 PolarHBondContact OH-NH2 2.83Å; Y48-R51 VanDerWaalsContact OH-NH2 3.17Å; Y48-H124 WeakPolarHBondContact CB-O 3.34Å; Y48-H124 PolarHBondContact N-O 2.72Å; Y48-W126 VanDerWaalsContact CA-CD1 3.48Å
49	H	85.7	Confident	89.4	Confident	61 Å²	61	25.6 Å²	25.6	28%	0.282	12%	0.119	S	C	.	.	S	Bend	trans	-84.6	-27	179.9	-70	-43.3	0	0	0	113.6	P47 Y541	P47-H49 VanDerWaalsContact C-N 3.29Å; P47-H49 PolarHBondContact O-N 2.88Å; H49-Y541 HydrophobicContact CB-CD1 4.46Å; H49-Y541 HydrophobicContact CB-CE1 3.94Å
50	N	88.8	Confident	89.5	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.12	C	C	.	.			trans	-111	66.5	176.5	-54.4	-21.2	0	0	0	109.5	P47 Q52 E53 Y541 Q545	P47-N50 HydrophobicContact CB-CB 4.45Å; P47-N50 HydrophobicContact CG-CB 3.75Å; P47-N50 CarbonylContact O-C 3.24Å; P47-N50 PolarHBondContact O-N 2.95Å; N50-Q52 PolarHBondContact O-N 3.22Å; N50-E53 HydrophobicContact CB-CB 4Å; N50-E53 WeakPolarHBondContact O-CB 3.3Å; N50-E53 PolarHBondContact O-N 3.45Å; N50-Y541 WeakPolarHBondContact ND2-CD2 3Å; N50-Y541 VanDerWaalsContact ND2-CE2 3.3Å; N50-Y541 WeakPolarHBondContact ND2-CE2 3.34Å; N50-Y541 PolarHBondContact ND2-O 2.9Å; N50-Y541 PolarHBondContact OD1-N 3.45Å; N50-Y541 PolarHBondContact OD1-O 2.98Å; N50-Y541 VanDerWaalsContact OD1-O 3.13Å; N50-Q545 VanDerWaalsContact CA-OE1 3.24Å; N50-Q545 HydrophobicContact CB-CB 4.05Å; N50-Q545 HydrophobicContact CB-CG 4Å; N50-Q545 PolarHBondContact O-OE1 3.47Å
51	R	81.6	Confident	89.5	Confident	56 Å²	56	27 Å²	27	21%	0.211	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.7	-173.8	-57.9	-175.9	176.1	-178.2	-2.7	114.6	Y48 W126 A471 Y472	Y48-R51 VanDerWaalsContact CE2-NH2 3.26Å; Y48-R51 VanDerWaalsContact CZ-NH2 3.29Å; Y48-R51 WeakPolarHBondContact O-CG 3.43Å; Y48-R51 PolarHBondContact O-NE 3.4Å; Y48-R51 PolarHBondContact OH-NH2 2.83Å; Y48-R51 VanDerWaalsContact OH-NH2 3.17Å; R51-W126 HydrophobicContact CB-CZ2 4.49Å; R51-A471 PolarHBondContact NH1-O 2.88Å; R51-Y472 HydrophobicContact CB-CD2 4Å; R51-Y472 HydrophobicContact CB-CE2 3.58Å; R51-Y472 PolarHBondContact O-OH 3.42Å
52	Q	85.9	Confident	89.5	Confident	19 Å²	19	27.5 Å²	27.5	9%	0.089	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-20.8	176.3	-61.3	-67.2	-31.6	0	0	110.3	N50 T54 R385 W470 F544 F548	N50-Q52 PolarHBondContact O-N 3.22Å; Q52-T54 PolarHBondContact O-N 3.48Å; Q52-R385 VanDerWaalsContact C-NH2 3.34Å; Q52-R385 PolarHBondContact O-NH1 3.48Å; Q52-R385 PolarHBondContact O-NH2 2.87Å; Q52-W470 HydrophobicContact CG-CE3 4.16Å; Q52-W470 HydrophobicContact CG-CZ3 3.97Å; Q52-F544 WeakPolarHBondContact O-CE1 3.31Å; Q52-F548 HydrophobicContact CB-CD1 4.06Å; Q52-F548 HydrophobicContact CB-CE1 4.4Å; Q52-F548 HydrophobicContact CB-CG 4.4Å; Q52-F548 HydrophobicContact CG-CD1 4.12Å; Q52-F548 HydrophobicContact CG-CE1 4.22Å
53	E	89.7	Confident	89.4	Confident	14 Å²	14	28.5 Å²	28.5	7%	0.065	14%	0.137	C	C	.	.			trans	-81.1	93	170.5	-166.3	-178.5	148.4	0	0	110.4	P47 N50 Y55 F544	P47-E53 WeakPolarHBondContact CD-O 3.38Å; P47-E53 HydrophobicContact CG-CB 4.33Å; N50-E53 HydrophobicContact CB-CB 4Å; N50-E53 WeakPolarHBondContact O-CB 3.3Å; N50-E53 PolarHBondContact O-N 3.45Å; E53-Y55 HydrophobicContact CG-CE2 3.84Å; E53-Y55 WeakPolarHBondContact CG-OH 3.28Å; E53-Y55 PolarHBondContact OE1-OH 2.92Å; E53-F544 HydrophobicContact CB-CD1 3.83Å; E53-F544 HydrophobicContact CB-CE1 4.35Å; E53-F544 HydrophobicContact CG-CD1 3.86Å
54	T	90.1	Very high	89.3	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.031	16%	0.157	C	C	.	.			trans	-116.2	144.5	-179	52.8	0	0	0	0	111.5	Q52 W126 A383 S384	Q52-T54 PolarHBondContact O-N 3.48Å; T54-W126 HydrophobicContact CG2-CZ2 4.4Å; T54-A383 CarbonylContact O-C 3.52Å; T54-A383 VanDerWaalsContact O-CA 3.27Å; T54-A383 WeakPolarHBondContact O-CA 3.49Å; T54-A383 WeakPolarHBondContact O-CB 3.45Å; T54-S384 PolarHBondContact O-N 3Å
55	Y	91.3	Very high	89	Confident	33 Å²	33	32.1 Å²	32.1	13%	0.129	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	162.4	178.6	-54.6	-82	0	0	0	109.6	T44 V45 E53 Y381 A383 S384	T44-Y55 CarbonylContact C-O 3.56Å; T44-Y55 WeakPolarHBondContact CA-O 3.42Å; T44-Y55 WeakPolarHBondContact CB-O 3.2Å; V45-Y55 PolarHBondContact N-O 3.43Å; V45-Y55 PolarHBondContact O-N 2.85Å; E53-Y55 HydrophobicContact CG-CE2 3.84Å; E53-Y55 WeakPolarHBondContact CG-OH 3.28Å; E53-Y55 PolarHBondContact OE1-OH 2.92Å; Y55-Y381 VanDerWaalsContact CE1-O 3.3Å; Y55-Y381 WeakPolarHBondContact CE1-O 3Å; Y55-A383 HydrophobicContact CE1-CB 4.44Å; Y55-S384 WeakPolarHBondContact CA-OG 3.39Å
56	K	90.4	Very high	88.5	Confident	87 Å²	87	37.8 Å²	37.8	38%	0.378	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	144.9	-178.8	-55.7	-165.5	-167.4	-157.9	0	109.9	V45 F58 S59 E85 E87 S384	V45-K56 WeakPolarHBondContact CG2-O 3.49Å; K56-F58 VanDerWaalsContact C-N 3.25Å; K56-F58 PolarHBondContact O-N 3.45Å; K56-S59 WeakPolarHBondContact O-CB 3.39Å; K56-S59 PolarHBondContact O-N 2.81Å; K56-S59 PolarHBondContact O-OG 3.19Å; K56-E85 VanDerWaalsContact CD-OE2 3.27Å; K56-E85 WeakPolarHBondContact CD-OE2 3.43Å; K56-E85 VanDerWaalsContact CE-CD 3.47Å; K56-E85 VanDerWaalsContact CE-OE1 3.26Å; K56-E85 WeakPolarHBondContact CE-OE1 3.18Å; K56-E85 WeakPolarHBondContact CE-OE2 3.39Å; K56-E85 WeakPolarHBondContact CG-OE2 3.35Å; K56-E85 VanDerWaalsContact NZ-CD 3.35Å; K56-E85 IonicContact NZ-OE1 3.66Å; K56-E85 PolarHBondContact NZ-OE1 3.26Å; K56-E85 IonicContact NZ-OE2 2.67Å; K56-E85 PolarHBondContact NZ-OE2 2.95Å; K56-E87 WeakPolarHBondContact CD-OE1 3.3Å; K56-S384 WeakPolarHBondContact CA-OG 3.33Å; K56-S384 WeakPolarHBondContact CG-OG 3.3Å; K56-S384 PolarHBondContact N-OG 2.9Å
57	Y	90.1	Very high	87.9	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.008	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-51.8	-46.3	-179.4	-173.3	-89.6	0	0	0	112.8	M42 N43 V45 S59 L60 F62 Y127 M129 K156	M42-Y57 HydrophobicContact CB-CD1 3.96Å; M42-Y57 HydrophobicContact CB-CD2 4.2Å; M42-Y57 HydrophobicContact CB-CG 3.72Å; M42-Y57 HydrophobicContact CE-CE1 4.43Å; M42-Y57 HydrophobicContact CG-CD1 4.01Å; M42-Y57 HydrophobicContact CG-CE1 4.25Å; M42-Y57 HydrophobicContact CG-CG 4.21Å; M42-Y57 HydrophobicContact SD-CD1 3.99Å; M42-Y57 HydrophobicContact SD-CD2 4.01Å; M42-Y57 HydrophobicContact SD-CE1 3.72Å; M42-Y57 HydrophobicContact SD-CE2 3.72Å; M42-Y57 HydrophobicContact SD-CG 4.13Å; M42-Y57 VanDerWaalsContact SD-CZ 3.58Å; N43-Y57 PolarHBondContact O-N 2.85Å; V45-Y57 HydrophobicContact CG1-CD2 3.85Å; V45-Y57 HydrophobicContact CG1-CE2 4.36Å; V45-Y57 HydrophobicContact CG1-CG 4.32Å; Y57-S59 PolarHBondContact O-N 2.84Å; Y57-L60 PolarHBondContact O-N 3.36Å; Y57-F62 HydrophobicContact CD1-CD2 4.31Å; Y57-F62 HydrophobicContact CE1-CB 3.91Å; Y57-F62 AromaticContact CE1-CD2 3.73Å; Y57-F62 HydrophobicContact CE1-CD2 3.73Å; Y57-F62 HydrophobicContact CE1-CE2 4.47Å; Y57-F62 AromaticContact CE1-CG 3.92Å; Y57-F62 HydrophobicContact CE1-CG 3.92Å; Y57-F62 AromaticContact CZ-CD2 3.97Å; Y57-Y127 AromaticContact CE2-CD2 3.69Å; Y57-Y127 HydrophobicContact CE2-CD2 3.69Å; Y57-Y127 AromaticContact CE2-CG 3.72Å; Y57-Y127 HydrophobicContact CE2-CG 3.72Å; Y57-M129 HydrophobicContact CE2-CG 4.44Å; Y57-K156 PolarHBondContact OH-NZ 3.09Å
58	F	89.9	Confident	86.9	Confident	43 Å²	43	49 Å²	49	19%	0.189	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-84.3	10.9	-179.4	-60.4	-75.8	0	0	0	114.3	M42 K56 L60 F62 V64 E87	M42-F58 HydrophobicContact CB-CE2 4.01Å; M42-F58 HydrophobicContact CB-CZ 4.41Å; M42-F58 HydrophobicContact CG-CE2 4.07Å; M42-F58 HydrophobicContact CG-CZ 3.97Å; K56-F58 VanDerWaalsContact C-N 3.25Å; K56-F58 PolarHBondContact O-N 3.45Å; F58-L60 CarbonylContact C-O 3.33Å; F58-L60 VanDerWaalsContact C-O 3.24Å; F58-F62 HydrophobicContact CD1-CB 4.28Å; F58-V64 HydrophobicContact CD1-CG2 4.07Å; F58-V64 HydrophobicContact CE1-CB 4.45Å; F58-V64 HydrophobicContact CE1-CG2 3.65Å; F58-V64 HydrophobicContact CE2-CG2 4.33Å; F58-V64 HydrophobicContact CZ-CG2 3.78Å; F58-E87 HydrophobicContact CD2-CB 3.97Å; F58-E87 HydrophobicContact CD2-CG 4.47Å; F58-E87 WeakPolarHBondContact CD2-OE2 3.47Å; F58-E87 HydrophobicContact CE2-CB 3.78Å
59	S	89.3	Confident	85.6	Confident	71 Å²	71	48.7 Å²	48.7	50%	0.497	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-67.9	-29.7	163.7	67.3	0	0	0	0	111.5	K56 Y57	K56-S59 WeakPolarHBondContact O-CB 3.39Å; K56-S59 PolarHBondContact O-N 2.81Å; K56-S59 PolarHBondContact O-OG 3.19Å; Y57-S59 PolarHBondContact O-N 2.84Å
60	L	90.9	Very high	84.4	Confident	12 Å²	12	49.9 Å²	49.9	6%	0.063	26%	0.262	C	S	.	.	S	Bend	trans	-79.8	148.4	161.9	-71.3	176.6	0	0	0	109.5	V45 Y57 F58 F62 F117 A120 Y125 V140	V45-L60 HydrophobicContact CB-CD1 4.18Å; V45-L60 HydrophobicContact CG1-CD1 4.12Å; V45-L60 HydrophobicContact CG2-CD1 4.15Å; V45-L60 HydrophobicContact CG2-CG 4.2Å; Y57-L60 PolarHBondContact O-N 3.36Å; F58-L60 CarbonylContact C-O 3.33Å; F58-L60 VanDerWaalsContact C-O 3.24Å; L60-F62 HydrophobicContact CB-CD2 3.76Å; L60-F62 HydrophobicContact CB-CE2 3.88Å; L60-F62 HydrophobicContact CD1-CE2 3.9Å; L60-F62 PolarHBondContact O-N 3.27Å; L60-F117 HydrophobicContact CB-CE1 4.42Å; L60-A120 HydrophobicContact CD1-CB 4.08Å; L60-A120 HydrophobicContact CD2-CB 3.89Å; L60-Y125 HydrophobicContact CD1-CD2 4.29Å; L60-V140 HydrophobicContact CD1-CG1 4.46Å; L60-V140 HydrophobicContact CD1-CG2 3.83Å
61	P	91.1	Very high	82.7	Confident	25 Å²	25	53 Å²	53	16%	0.162	29%	0.285	C	S	.	.	S	Bend	trans	-77.8	43	-173.2	32.4	-34.2	0	0	0	113	K113 A116 F117	P61-K113 HydrophobicContact CB-CB 3.91Å; P61-K113 HydrophobicContact CB-CD 3.96Å; P61-K113 HydrophobicContact CB-CG 3.58Å; P61-K113 HydrophobicContact CG-CB 3.74Å; P61-K113 HydrophobicContact CG-CG 3.97Å; P61-A116 HydrophobicContact CG-CB 4.4Å; P61-F117 HydrophobicContact CB-CE2 4.41Å; P61-F117 HydrophobicContact CB-CZ 4.44Å; P61-F117 HydrophobicContact CG-CD2 3.9Å; P61-F117 HydrophobicContact CG-CE1 4.17Å; P61-F117 HydrophobicContact CG-CE2 3.54Å; P61-F117 HydrophobicContact CG-CG 4.39Å; P61-F117 HydrophobicContact CG-CZ 3.68Å
62	F	90.5	Very high	81.3	Confident	18 Å²	18	58 Å²	58	8%	0.079	31%	0.31	C	S	.	.			trans	-66.3	158.3	159.7	-67.7	-63.6	0	0	0	109.7	Y57 F58 L60 F117 V140 M188	Y57-F62 HydrophobicContact CD1-CD2 4.31Å; Y57-F62 HydrophobicContact CE1-CB 3.91Å; Y57-F62 AromaticContact CE1-CD2 3.73Å; Y57-F62 HydrophobicContact CE1-CD2 3.73Å; Y57-F62 HydrophobicContact CE1-CE2 4.47Å; Y57-F62 AromaticContact CE1-CG 3.92Å; Y57-F62 HydrophobicContact CE1-CG 3.92Å; Y57-F62 AromaticContact CZ-CD2 3.97Å; F58-F62 HydrophobicContact CD1-CB 4.28Å; L60-F62 HydrophobicContact CB-CD2 3.76Å; L60-F62 HydrophobicContact CB-CE2 3.88Å; L60-F62 HydrophobicContact CD1-CE2 3.9Å; L60-F62 PolarHBondContact O-N 3.27Å; F62-F117 HydrophobicContact CD1-CE1 4.19Å; F62-F117 HydrophobicContact CD1-CZ 4.21Å; F62-F117 HydrophobicContact CD2-CE1 4.48Å; F62-F117 AromaticContact CE1-CE1 3.87Å; F62-F117 HydrophobicContact CE1-CE1 3.87Å; F62-F117 HydrophobicContact CE1-CZ 4.25Å; F62-F117 HydrophobicContact CE2-CE1 4.2Å; F62-F117 HydrophobicContact CG-CE1 4.48Å; F62-F117 AromaticContact CZ-CE1 3.88Å; F62-F117 HydrophobicContact CZ-CE1 3.88Å; F62-V140 HydrophobicContact CE2-CG2 4.45Å; F62-V140 HydrophobicContact CZ-CG1 4.09Å; F62-V140 HydrophobicContact CZ-CG2 4.34Å; F62-M188 HydrophobicContact CD1-CE 4.42Å; F62-M188 HydrophobicContact CE1-CE 4.43Å
63	C	87.6	Confident	80.2	Confident	28 Å²	28	59.3 Å²	59.3	19%	0.189	31%	0.314	C	S	.	.			trans	-113.6	152.8	177.3	50.4	0	0	0	0	111.9	C105 I107	C63-C105 HydrophobicContact CB-CB 3.96Å; C63-C105 WeakPolarHBondContact CB-SG 3.3Å; C63-C105 WeakPolarHBondContact SG-CB 3.45Å; C63-C105 CovalentContact SG-SG 1.99Å; C63-C105 PolarHBondContact SG-SG 2.87Å; C63-I107 HydrophobicContact CB-CG1 4.22Å; C63-I107 WeakPolarHBondContact SG-CG1 3.44Å
64	V	87.9	Confident	78.8	Confident	74 Å²	74	65.8 Å²	65.8	45%	0.448	34%	0.344	S	S	.	.			trans	-81.5	146.1	176.9	-172.1	0	0	0	0	108.9	F58	F58-V64 HydrophobicContact CD1-CG2 4.07Å; F58-V64 HydrophobicContact CE1-CB 4.45Å; F58-V64 HydrophobicContact CE1-CG2 3.65Å; F58-V64 HydrophobicContact CE2-CG2 4.33Å; F58-V64 HydrophobicContact CZ-CG2 3.78Å
65	G	85.3	Confident	77.7	Confident	11 Å²	11	69.9 Å²	69.9	11%	0.113	36%	0.363	C	S	.	.			trans	-65.4	-180	172.1	0	0	0	0	0	113.5	K67 S89 G90	G65-K67 PolarHBondContact O-N 3.25Å; G65-S89 PolarHBondContact N-O 2.86Å; G65-G90 CarbonylContact C-O 3.38Å; G65-G90 VanDerWaalsContact CA-O 3.31Å; G65-G90 WeakPolarHBondContact CA-O 3.16Å
66	T	82.1	Confident	77	Confident	118 Å²	118	71.5 Å²	71.5	72%	0.724	38%	0.376	S	S	*	.	S	Bend	trans	-77.2	-20.1	-170.1	52	0	0	0	0	113.9	G90	T66-G90 PolarHBondContact N-O 3.35Å
67	K	79.6	Confident	76.4	Confident	44 Å²	44	70.1 Å²	70.1	19%	0.191	37%	0.373	C	S	.	.			trans	-79	130.3	-177.9	-166.2	167.5	179.3	-176.7	0	110.7	E37 G65 F88 G90 D92	E37-K67 VanDerWaalsContact OE1-CE 3.27Å; E37-K67 WeakPolarHBondContact OE1-CE 3.25Å; E37-K67 IonicContact OE1-NZ 2.72Å; E37-K67 PolarHBondContact OE1-NZ 3.15Å; E37-K67 IonicContact OE2-NZ 2.62Å; E37-K67 PolarHBondContact OE2-NZ 3.05Å; G65-K67 PolarHBondContact O-N 3.25Å; K67-F88 HydrophobicContact CB-CE1 3.94Å; K67-F88 HydrophobicContact CB-CZ 4.22Å; K67-F88 HydrophobicContact CD-CE1 4.48Å; K67-F88 HydrophobicContact CD-CZ 4.05Å; K67-F88 HydrophobicContact CG-CE1 4.04Å; K67-F88 HydrophobicContact CG-CZ 4.11Å; K67-F88 WeakPolarHBondContact O-CE1 3.43Å; K67-G90 WeakPolarHBondContact CB-O 3.35Å; K67-G90 PolarHBondContact N-O 3.4Å; K67-D92 IonicContact NZ-OD1 3.36Å
68	K	71.1	Confident	75.8	Confident	195 Å²	195	70 Å²	70	85%	0.848	37%	0.373	S	S	*	.			trans	-112.6	-15.2	-172.2	-67.6	-172.7	178.7	-177.6	0	115.5
69	T	59.2	Low	75.5	Confident	106 Å²	106	68.3 Å²	68.3	65%	0.65	37%	0.365	S	S	*	.			trans	-107.4	138.7	-174.2	50.5	0	0	0	0	110.9
70	I	60.7	Low	75.2	Confident	85 Å²	85	65.3 Å²	65.3	44%	0.436	35%	0.345	S	S	.	.			trans	-122.2	142.3	175.4	-21.3	172.8	0	0	0	108.1	W41 F88	W41-I70 HydrophobicContact CH2-CG2 3.91Å; I70-F88 HydrophobicContact CD1-CB 3.95Å; I70-F88 HydrophobicContact CD1-CG 4.49Å; I70-F88 HydrophobicContact CG1-CB 4.35Å; I70-F88 HydrophobicContact CG1-CD1 4.48Å; I70-F88 HydrophobicContact CG1-CG 4.37Å; I70-F88 HydrophobicContact CG2-CD2 4.46Å
71	S	51.8	Low	74.8	Confident	68 Å²	68	66.4 Å²	66.4	48%	0.476	35%	0.35	S	S	.	.			trans	-71.3	140.1	147.8	39.6	0	0	0	0	107.6
72	H	52.2	Low	74.5	Confident	161 Å²	161	69.2 Å²	69.2	75%	0.745	36%	0.362	S	S	*	.			trans	-57.6	138.3	-163.4	-73	-92.4	0	0	0	115.3
73	Y	64.1	Low	74	Confident	46 Å²	46	68.8 Å²	68.8	18%	0.18	36%	0.362	C	S	.	.			trans	-108.2	137.5	161.3	-177.7	-96.5	0	0	0	110.6	W41 E75 E79 L86 R318	W41-Y73 VanDerWaalsContact CH2-CB 3.48Å; W41-Y73 HydrophobicContact CH2-CG 4.14Å; W41-Y73 HydrophobicContact CZ2-CD2 4.07Å; W41-Y73 HydrophobicContact CZ2-CG 4.04Å; Y73-E75 HydrophobicContact CD1-CG 4.31Å; Y73-E75 HydrophobicContact CE1-CB 4.42Å; Y73-E75 HydrophobicContact CE1-CG 3.82Å; Y73-E79 PolarHBondContact OH-OE1 3.12Å; Y73-E79 PolarHBondContact OH-OE2 2.76Å; Y73-L86 HydrophobicContact CD1-CB 4.46Å; Y73-L86 HydrophobicContact CD1-CD1 4.15Å; Y73-L86 HydrophobicContact CD2-CD1 4.41Å; Y73-L86 HydrophobicContact CE1-CB 4.41Å; Y73-L86 HydrophobicContact CE1-CD1 3.57Å; Y73-L86 HydrophobicContact CE1-CG 4.17Å; Y73-L86 HydrophobicContact CE2-CD1 3.85Å; Y73-L86 VanDerWaalsContact CZ-CD1 3.41Å; Y73-R318 PolarHBondContact OH-NH2 3Å
74	H	59.6	Low	73.8	Confident	150 Å²	150	68 Å²	68	69%	0.694	36%	0.356	S	S	*	.			trans	-118.6	118.2	174.6	-78.6	-76.1	0	0	0	110.5
75	E	67	Low	73.3	Confident	90 Å²	90	67 Å²	67	42%	0.421	35%	0.347	S	S	.	.			trans	-65.3	133.9	173.8	-68.1	173.6	178.3	0	0	111.4	Y73	Y73-E75 HydrophobicContact CD1-CG 4.31Å; Y73-E75 HydrophobicContact CE1-CB 4.42Å; Y73-E75 HydrophobicContact CE1-CG 3.82Å
76	T	77.7	Confident	73.2	Confident	67 Å²	67	67.4 Å²	67.4	41%	0.411	35%	0.346	S	S	.	.			trans	-78.1	160.6	172.3	71.8	0	0	0	0	111.4	G78 E79 A80	T76-G78 PolarHBondContact O-N 2.98Å; T76-E79 PolarHBondContact N-OE2 2.99Å; T76-E79 PolarHBondContact O-N 2.89Å; T76-E79 VanDerWaalsContact OG1-CG 3.27Å; T76-E79 WeakPolarHBondContact OG1-CG 3.49Å; T76-E79 PolarHBondContact OG1-N 3.2Å; T76-E79 PolarHBondContact OG1-OE2 3.33Å; T76-A80 WeakPolarHBondContact O-CB 3.14Å; T76-A80 PolarHBondContact O-N 3.43Å
77	L	76.9	Confident	73.4	Confident	59 Å²	59	64.4 Å²	64.4	31%	0.309	32%	0.324	S	S	.	.	H	α-helix	trans	-57.6	-36.8	175.7	-177.3	70.2	0	0	0	112.3	L81 T391 A394 I398	L77-L81 HydrophobicContact CG-CD1 4.27Å; L77-L81 WeakPolarHBondContact O-CB 3.43Å; L77-L81 VanDerWaalsContact O-CG 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.39Å; L77-L81 PolarHBondContact O-N 2.85Å; L77-L81 VanDerWaalsContact O-N 3.13Å; L77-T391 HydrophobicContact CD1-CG2 3.85Å; L77-A394 HydrophobicContact CD1-CB 4.22Å; L77-I398 HydrophobicContact CD2-CD1 3.85Å
78	G	77.3	Confident	73.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.1	-43.1	178.7	0	0	0	0	0	112.2	T76 L81 Q82	T76-G78 PolarHBondContact O-N 2.98Å; G78-L81 PolarHBondContact O-N 3.25Å; G78-Q82 WeakPolarHBondContact O-CG 3.25Å; G78-Q82 PolarHBondContact O-N 3Å; G78-Q82 VanDerWaalsContact O-N 3.12Å
79	E	83.3	Confident	74.5	Confident	6 Å²	6	54.2 Å²	54.2	3%	0.028	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-46.8	175.8	-73.8	175.9	151.4	0	0	112	Y73 T76 L81 Q82 G83 V84 R318	Y73-E79 PolarHBondContact OH-OE1 3.12Å; Y73-E79 PolarHBondContact OH-OE2 2.76Å; T76-E79 PolarHBondContact N-OE2 2.99Å; T76-E79 PolarHBondContact O-N 2.89Å; T76-E79 VanDerWaalsContact OG1-CG 3.27Å; T76-E79 WeakPolarHBondContact OG1-CG 3.49Å; T76-E79 PolarHBondContact OG1-N 3.2Å; T76-E79 PolarHBondContact OG1-OE2 3.33Å; E79-L81 VanDerWaalsContact C-N 3.27Å; E79-L81 PolarHBondContact O-N 2.89Å; E79-Q82 PolarHBondContact O-N 2.69Å; E79-G83 PolarHBondContact O-N 3.1Å; E79-V84 HydrophobicContact CB-CB 4.01Å; E79-V84 HydrophobicContact CB-CG1 4.47Å; E79-V84 HydrophobicContact CB-CG2 4.4Å; E79-V84 HydrophobicContact CG-CB 4.45Å; E79-V84 PolarHBondContact O-N 3.49Å; E79-R318 HydrophobicContact CG-CB 3.96Å; E79-R318 VanDerWaalsContact OE1-CB 3.3Å; E79-R318 WeakPolarHBondContact OE1-CB 3.18Å; E79-R318 IonicContact OE1-CZ 3.57Å; E79-R318 IonicContact OE1-NE 3.98Å; E79-R318 PolarHBondContact OE1-NE 3.43Å; E79-R318 IonicContact OE1-NH2 3.13Å; E79-R318 PolarHBondContact OE1-NH2 2.67Å
80	A	83.5	Confident	75.8	Confident	9 Å²	9	49.2 Å²	49.2	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-35.3	178.2	0	0	0	0	0	112.4	T76 G83 T391	T76-A80 WeakPolarHBondContact O-CB 3.14Å; T76-A80 PolarHBondContact O-N 3.43Å; A80-G83 PolarHBondContact O-N 2.9Å; A80-T391 HydrophobicContact CB-CG2 4.19Å
81	L	83.4	Confident	77.2	Confident	34 Å²	34	45.4 Å²	45.4	18%	0.178	23%	0.23	C	C	.	.	H	α-helix	trans	-74.6	-25.7	175.4	-74.8	172.3	0	0	0	113.3	L77 G78 E79 G83 L322 I326 I387 T391 V395	L77-L81 HydrophobicContact CG-CD1 4.27Å; L77-L81 WeakPolarHBondContact O-CB 3.43Å; L77-L81 VanDerWaalsContact O-CG 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.39Å; L77-L81 PolarHBondContact O-N 2.85Å; L77-L81 VanDerWaalsContact O-N 3.13Å; G78-L81 PolarHBondContact O-N 3.25Å; E79-L81 VanDerWaalsContact C-N 3.27Å; E79-L81 PolarHBondContact O-N 2.89Å; L81-G83 VanDerWaalsContact C-N 3.32Å; L81-L322 HydrophobicContact CB-CD2 3.63Å; L81-L322 HydrophobicContact CD1-CD2 4.15Å; L81-I326 HydrophobicContact CD1-CD1 3.49Å; L81-I326 VanDerWaalsContact CD1-CD1 3.49Å; L81-I387 HydrophobicContact CD2-CD1 4.37Å; L81-I387 HydrophobicContact CD2-CG2 4.31Å; L81-T391 HydrophobicContact CD2-CG2 3.58Å; L81-T391 HydrophobicContact CG-CG2 3.78Å; L81-V395 HydrophobicContact CD1-CG2 4.48Å; L81-V395 HydrophobicContact CD2-CG2 4.32Å
82	Q	84.1	Confident	79	Confident	85 Å²	85	45 Å²	45	40%	0.397	22%	0.222	S	C	.	.	H	α-helix	trans	-82.6	-12.8	174.9	-72.5	179.5	-16.1	0	0	112.7	G78 E79 V84 L322	G78-Q82 WeakPolarHBondContact O-CG 3.25Å; G78-Q82 PolarHBondContact O-N 3Å; G78-Q82 VanDerWaalsContact O-N 3.12Å; E79-Q82 PolarHBondContact O-N 2.69Å; Q82-V84 HydrophobicContact CB-CG2 4.26Å; Q82-L322 HydrophobicContact CG-CD2 4.05Å
83	G	80.3	Confident	80.8	Confident	8 Å²	8	37.3 Å²	37.3	8%	0.082	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	30.8	-176.1	0	0	0	0	0	112.5	E79 A80 L81	E79-G83 PolarHBondContact O-N 3.1Å; A80-G83 PolarHBondContact O-N 2.9Å; L81-G83 VanDerWaalsContact C-N 3.32Å
84	V	82.4	Confident	82.2	Confident	12 Å²	12	38.2 Å²	38.2	7%	0.073	19%	0.191	C	C	.	.			trans	-74.5	124.9	168.2	177.3	0	0	0	0	106.9	E79 Q82 L86	E79-V84 HydrophobicContact CB-CB 4.01Å; E79-V84 HydrophobicContact CB-CG1 4.47Å; E79-V84 HydrophobicContact CB-CG2 4.4Å; E79-V84 HydrophobicContact CG-CB 4.45Å; E79-V84 PolarHBondContact O-N 3.49Å; Q82-V84 HydrophobicContact CB-CG2 4.26Å; V84-L86 HydrophobicContact CG1-CD2 3.64Å; V84-L86 HydrophobicContact CG1-CG 3.9Å
85	E	77.9	Confident	83.7	Confident	54 Å²	54	31 Å²	31	25%	0.252	16%	0.158	S	C	.	.			trans	-135.4	101.8	178.4	-172.2	171.7	-166.3	0	0	106.7	N43 K56	N43-E85 PolarHBondContact OD1-N 3.36Å; N43-E85 VanDerWaalsContact OD1-N 3.11Å; N43-E85 PolarHBondContact OD1-O 3.49Å; K56-E85 VanDerWaalsContact CD-OE2 3.27Å; K56-E85 WeakPolarHBondContact CD-OE2 3.43Å; K56-E85 VanDerWaalsContact CE-CD 3.47Å; K56-E85 VanDerWaalsContact CE-OE1 3.26Å; K56-E85 WeakPolarHBondContact CE-OE1 3.18Å; K56-E85 WeakPolarHBondContact CE-OE2 3.39Å; K56-E85 WeakPolarHBondContact CG-OE2 3.35Å; K56-E85 VanDerWaalsContact NZ-CD 3.35Å; K56-E85 IonicContact NZ-OE1 3.66Å; K56-E85 PolarHBondContact NZ-OE1 3.26Å; K56-E85 IonicContact NZ-OE2 2.67Å; K56-E85 PolarHBondContact NZ-OE2 2.95Å
86	L	83.7	Confident	85	Confident	18 Å²	18	29.8 Å²	29.8	9%	0.094	15%	0.152	C	C	.	.			trans	-89.5	117.7	-173.8	-58.3	-173.9	0	0	0	110.1	W41 N43 Y73 V84 Y130	W41-L86 HydrophobicContact CB-CB 4.27Å; W41-L86 HydrophobicContact CB-CD1 4.25Å; W41-L86 HydrophobicContact CB-CD2 4.14Å; W41-L86 HydrophobicContact CB-CG 4.45Å; W41-L86 HydrophobicContact CD2-CB 4.08Å; W41-L86 HydrophobicContact CD2-CD1 4.23Å; W41-L86 HydrophobicContact CE3-CB 3.71Å; W41-L86 HydrophobicContact CG-CB 4.36Å; W41-L86 HydrophobicContact CG-CD1 4.05Å; W41-L86 HydrophobicContact CZ3-CB 4.37Å; N43-L86 HydrophobicContact CB-CD2 3.97Å; Y73-L86 HydrophobicContact CD1-CB 4.46Å; Y73-L86 HydrophobicContact CD1-CD1 4.15Å; Y73-L86 HydrophobicContact CD2-CD1 4.41Å; Y73-L86 HydrophobicContact CE1-CB 4.41Å; Y73-L86 HydrophobicContact CE1-CD1 3.57Å; Y73-L86 HydrophobicContact CE1-CG 4.17Å; Y73-L86 HydrophobicContact CE2-CD1 3.85Å; Y73-L86 VanDerWaalsContact CZ-CD1 3.41Å; V84-L86 HydrophobicContact CG1-CD2 3.64Å; V84-L86 HydrophobicContact CG1-CG 3.9Å; L86-Y130 HydrophobicContact CD2-CD2 3.93Å; L86-Y130 HydrophobicContact CD2-CE2 4.34Å
87	E	85.5	Confident	85.7	Confident	56 Å²	56	29.6 Å²	29.6	26%	0.262	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.8	173.9	-65.2	-168.8	-132.5	0	0	110.3	M42 K56 F58 S89	M42-E87 WeakPolarHBondContact CB-O 3.34Å; M42-E87 PolarHBondContact N-O 2.9Å; M42-E87 PolarHBondContact O-N 3.43Å; K56-E87 WeakPolarHBondContact CD-OE1 3.3Å; F58-E87 HydrophobicContact CD2-CB 3.97Å; F58-E87 HydrophobicContact CD2-CG 4.47Å; F58-E87 WeakPolarHBondContact CD2-OE2 3.47Å; F58-E87 HydrophobicContact CE2-CB 3.78Å; E87-S89 PolarHBondContact O-N 3.33Å
88	F	86.1	Confident	86.5	Confident	23 Å²	23	31.8 Å²	31.8	10%	0.101	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130	-179.2	-179.6	-120.8	0	0	0	111.3	V39 W41 K67 I70 G90	V39-F88 HydrophobicContact CG1-CD2 3.7Å; V39-F88 HydrophobicContact CG1-CE2 3.84Å; W41-F88 HydrophobicContact CZ3-CB 4.26Å; K67-F88 HydrophobicContact CB-CE1 3.94Å; K67-F88 HydrophobicContact CB-CZ 4.22Å; K67-F88 HydrophobicContact CD-CE1 4.48Å; K67-F88 HydrophobicContact CD-CZ 4.05Å; K67-F88 HydrophobicContact CG-CE1 4.04Å; K67-F88 HydrophobicContact CG-CZ 4.11Å; K67-F88 WeakPolarHBondContact O-CE1 3.43Å; I70-F88 HydrophobicContact CD1-CB 3.95Å; I70-F88 HydrophobicContact CD1-CG 4.49Å; I70-F88 HydrophobicContact CG1-CB 4.35Å; I70-F88 HydrophobicContact CG1-CD1 4.48Å; I70-F88 HydrophobicContact CG1-CG 4.37Å; I70-F88 HydrophobicContact CG2-CD2 4.46Å; F88-G90 VanDerWaalsContact C-N 3.32Å; F88-G90 PolarHBondContact O-N 2.75Å
89	S	87.4	Confident	87.3	Confident	2 Å²	2	33 Å²	33	1%	0.014	16%	0.164	C	C	.	.			trans	-68.7	-26.2	-179.1	61.8	0	0	0	0	114.5	L40 M42 G65 E87 L91	L40-S89 WeakPolarHBondContact CB-OG 3.26Å; L40-S89 WeakPolarHBondContact O-CB 3.04Å; L40-S89 PolarHBondContact O-N 2.93Å; L40-S89 PolarHBondContact O-OG 2.98Å; M42-S89 VanDerWaalsContact CE-CB 3.4Å; G65-S89 PolarHBondContact N-O 2.86Å; E87-S89 PolarHBondContact O-N 3.33Å; S89-L91 VanDerWaalsContact C-N 3.27Å; S89-L91 PolarHBondContact O-N 2.86Å; S89-L91 PolarHBondContact OG-N 3.31Å
90	G	87.2	Confident	87.8	Confident	1 Å²	1	39 Å²	39	1%	0.01	19%	0.194	C	C	.	.			trans	78.3	5	-174.4	0	0	0	0	0	114.9	G65 T66 K67 F88	G65-G90 CarbonylContact C-O 3.38Å; G65-G90 VanDerWaalsContact CA-O 3.31Å; G65-G90 WeakPolarHBondContact CA-O 3.16Å; T66-G90 PolarHBondContact N-O 3.35Å; K67-G90 WeakPolarHBondContact CB-O 3.35Å; K67-G90 PolarHBondContact N-O 3.4Å; F88-G90 VanDerWaalsContact C-N 3.32Å; F88-G90 PolarHBondContact O-N 2.75Å
91	L	89.6	Confident	88.2	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.026	22%	0.217	C	C	.	.			trans	-83.7	139.1	178.3	-56	-174.6	0	0	0	110.7	L40 S89 I93 Y104 Y190	L40-L91 HydrophobicContact CD2-CD1 3.74Å; S89-L91 VanDerWaalsContact C-N 3.27Å; S89-L91 PolarHBondContact O-N 2.86Å; S89-L91 PolarHBondContact OG-N 3.31Å; L91-I93 HydrophobicContact CB-CD1 4.37Å; L91-I93 HydrophobicContact CB-CG1 4.17Å; L91-I93 PolarHBondContact O-N 3.34Å; L91-Y104 HydrophobicContact CD2-CD1 4.01Å; L91-Y104 HydrophobicContact CD2-CD2 3.71Å; L91-Y104 HydrophobicContact CD2-CE1 4.47Å; L91-Y104 HydrophobicContact CD2-CE2 4.22Å; L91-Y104 HydrophobicContact CD2-CG 3.58Å; L91-Y190 HydrophobicContact CB-CE2 4.06Å; L91-Y190 HydrophobicContact CD1-CD2 3.87Å; L91-Y190 HydrophobicContact CD1-CE2 4.24Å; L91-Y190 HydrophobicContact CD1-CG 4.04Å; L91-Y190 HydrophobicContact CD2-CD1 3.98Å; L91-Y190 HydrophobicContact CD2-CE1 3.96Å; L91-Y190 HydrophobicContact CD2-CE2 4.5Å; L91-Y190 HydrophobicContact CD2-CG 4.27Å; L91-Y190 HydrophobicContact CG-CE2 4.5Å
92	D	89.4	Confident	88.6	Confident	58 Å²	58	45.8 Å²	45.8	31%	0.31	23%	0.227	S	C	.	.			trans	-89.3	94.3	176	-168.6	32.7	0	0	0	109	K67 K94 Y190	K67-D92 IonicContact NZ-OD1 3.36Å; D92-K94 WeakPolarHBondContact OD1-CE 3.43Å; D92-K94 IonicContact OD1-NZ 3.85Å; D92-K94 WeakPolarHBondContact OD2-CE 3.48Å; D92-K94 IonicContact OD2-NZ 2.74Å; D92-K94 PolarHBondContact OD2-NZ 2.68Å; D92-Y190 PolarHBondContact N-OH 3.43Å; D92-Y190 PolarHBondContact O-OH 3.12Å
93	I	91.1	Very high	89	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.231	C	C	.	.			trans	-111.2	129.4	176.9	-52.3	177.7	0	0	0	107.6	V38 L40 L91 L158 I160 Y190 V192 W194	V38-I93 HydrophobicContact CB-CB 4.48Å; V38-I93 HydrophobicContact CB-CG2 4.07Å; V38-I93 HydrophobicContact CG1-CG2 4.45Å; V38-I93 PolarHBondContact N-O 3.08Å; V38-I93 WeakPolarHBondContact O-CB 3.44Å; L40-I93 HydrophobicContact CB-CD1 3.9Å; L40-I93 HydrophobicContact CD2-CD1 4.41Å; L91-I93 HydrophobicContact CB-CD1 4.37Å; L91-I93 HydrophobicContact CB-CG1 4.17Å; L91-I93 PolarHBondContact O-N 3.34Å; I93-L158 HydrophobicContact CD1-CD1 4.05Å; I93-I160 HydrophobicContact CG2-CD1 4.22Å; I93-Y190 HydrophobicContact CG1-CE2 4.39Å; I93-V192 HydrophobicContact CD1-CG2 4.33Å; I93-V192 HydrophobicContact CG1-CG2 4.11Å; I93-V192 HydrophobicContact CG2-CG1 4.21Å; I93-V192 HydrophobicContact CG2-CG2 4.28Å; I93-W194 HydrophobicContact CG2-CZ2 4.32Å
94	K	92	Very high	89.6	Confident	64 Å²	64	46.4 Å²	46.4	28%	0.278	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-125.1	143.7	178.3	-67.5	173.5	-169.4	144.1	0	111.1	E36 D92 K96 D97 W194	E36-K94 CarbonylContact O-C 3.52Å; E36-K94 WeakPolarHBondContact O-CA 3.49Å; D92-K94 WeakPolarHBondContact OD1-CE 3.43Å; D92-K94 IonicContact OD1-NZ 3.85Å; D92-K94 WeakPolarHBondContact OD2-CE 3.48Å; D92-K94 IonicContact OD2-NZ 2.74Å; D92-K94 PolarHBondContact OD2-NZ 2.68Å; K94-K96 PolarHBondContact O-N 3.42Å; K94-D97 HydrophobicContact CB-CB 3.72Å; K94-D97 PolarHBondContact O-N 3.3Å; K94-D97 VanDerWaalsContact O-N 3.08Å; K94-W194 VanDerWaalsContact O-CZ2 3.25Å; K94-W194 WeakPolarHBondContact O-CZ2 3.08Å; K94-W194 PolarHBondContact O-NE1 3.15Å; K94-W194 VanDerWaalsContact O-NE1 3.16Å
95	F	92.9	Very high	90	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	124.8	-177.4	-172.2	-114.9	0	0	0	111	Y32 T33 K35 E36 V38 D97 F162 I167 W194	Y32-F95 HydrophobicContact CD2-CD2 4.25Å; Y32-F95 HydrophobicContact CD2-CE2 4.3Å; Y32-F95 HydrophobicContact CG-CD2 4.1Å; Y32-F95 HydrophobicContact CG-CG 4.27Å; T33-F95 WeakPolarHBondContact O-CD1 3.41Å; K35-F95 WeakPolarHBondContact CA-O 3.44Å; K35-F95 PolarHBondContact N-O 3.46Å; E36-F95 PolarHBondContact O-N 2.89Å; V38-F95 HydrophobicContact CG2-CB 3.91Å; V38-F95 HydrophobicContact CG2-CD2 4.41Å; F95-D97 PolarHBondContact O-N 3.49Å; F95-F162 HydrophobicContact CE2-CB 4.06Å; F95-F162 HydrophobicContact CZ-CB 4.18Å; F95-I167 HydrophobicContact CD2-CG1 4.25Å; F95-I167 HydrophobicContact CE2-CG1 3.98Å; F95-W194 HydrophobicContact CD2-CE3 4.46Å; F95-W194 AromaticContact CD2-CH2 3.53Å; F95-W194 HydrophobicContact CD2-CH2 3.53Å; F95-W194 HydrophobicContact CD2-CZ2 4.36Å; F95-W194 AromaticContact CD2-CZ3 3.58Å; F95-W194 HydrophobicContact CD2-CZ3 3.58Å; F95-W194 HydrophobicContact CE2-CH2 4.17Å; F95-W194 AromaticContact CE2-CZ3 3.74Å; F95-W194 HydrophobicContact CE2-CZ3 3.74Å; F95-W194 HydrophobicContact CG-CH2 4.43Å
96	K	92.4	Very high	90.7	Very high	64 Å²	64	49.8 Å²	49.8	28%	0.278	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	18.1	-175	-57.2	175.7	-171.4	147.9	0	115.5	D34 K94 F162 G164 W194	D34-K96 WeakPolarHBondContact OD1-CD 3.41Å; D34-K96 IonicContact OD1-NZ 2.66Å; D34-K96 PolarHBondContact OD1-NZ 2.91Å; K94-K96 PolarHBondContact O-N 3.42Å; K96-F162 HydrophobicContact CD-CD2 4.43Å; K96-F162 HydrophobicContact CD-CE2 4.11Å; K96-F162 HydrophobicContact CD-CZ 4.41Å; K96-F162 HydrophobicContact CG-CD2 4.38Å; K96-F162 HydrophobicContact CG-CE1 4.46Å; K96-F162 HydrophobicContact CG-CE2 4.29Å; K96-F162 HydrophobicContact CG-CZ 4.32Å; K96-G164 VanDerWaalsContact CE-O 3.31Å; K96-G164 WeakPolarHBondContact CE-O 3.4Å; K96-G164 PolarHBondContact NZ-O 3.06Å; K96-W194 VanDerWaalsContact N-CE2 3.28Å
97	D	93.6	Very high	91.1	Very high	62 Å²	62	49.4 Å²	49.4	33%	0.332	25%	0.248	S	C	.	.			trans	-103.6	118.1	174.3	-158.7	24.8	0	0	0	110.2	K94 F95 W194	K94-D97 HydrophobicContact CB-CB 3.72Å; K94-D97 PolarHBondContact O-N 3.3Å; K94-D97 VanDerWaalsContact O-N 3.08Å; F95-D97 PolarHBondContact O-N 3.49Å; D97-W194 PolarHBondContact O-NE1 2.9Å
98	E	93.7	Very high	91.4	Very high	106 Å²	106	51.9 Å²	51.9	50%	0.495	26%	0.259	S	S	.	.			trans	-79.2	128.6	-179.9	-68.6	-167.5	166.8	0	0	111	V192	E98-V192 WeakPolarHBondContact CA-O 3.18Å
99	V	93.6	Very high	91.5	Very high	24 Å²	24	50.9 Å²	50.9	15%	0.145	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	111.3	175.9	-177.7	0	0	0	0	108	Y190 S191 V192	V99-Y190 HydrophobicContact CG1-CE2 4.03Å; V99-S191 VanDerWaalsContact O-CA 3.3Å; V99-S191 WeakPolarHBondContact O-CA 3.48Å; V99-S191 VanDerWaalsContact O-CB 3.31Å; V99-S191 WeakPolarHBondContact O-CB 2.8Å; V99-V192 HydrophobicContact CB-CB 4Å; V99-V192 HydrophobicContact CB-CG2 4.15Å; V99-V192 HydrophobicContact CG2-CB 4.21Å; V99-V192 HydrophobicContact CG2-CG2 4.29Å; V99-V192 PolarHBondContact N-O 2.81Å; V99-V192 PolarHBondContact O-N 3.39Å
100	M	93.4	Very high	91.7	Very high	133 Å²	133	53.9 Å²	53.9	66%	0.655	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	162.2	171.1	-66.3	-65.6	164.2	0	0	110.2	T102	M100-T102 WeakPolarHBondContact O-CG2 3.44Å; M100-T102 PolarHBondContact O-N 1.99Å; M100-T102 PolarHBondContact O-OG1 2.84Å
101	Q	92.9	Very high	91.8	Very high	123 Å²	123	60.7 Å²	60.7	58%	0.575	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.9	112.4	-179.4	-178.5	176.7	-7.5	0	0	110.6	Y155 Y190	Q101-Y155 HydrophobicContact CB-CE2 4.21Å; Q101-Y155 HydrophobicContact CG-CD2 4.15Å; Q101-Y155 HydrophobicContact CG-CE2 3.72Å; Q101-Y190 WeakPolarHBondContact CA-O 2.89Å
102	T	92.1	Very high	91.9	Very high	62 Å²	62	63.9 Å²	63.9	38%	0.38	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.8	-180	49.5	0	0	0	0	109.9	M100 Y104 S189 Y190	M100-T102 WeakPolarHBondContact O-CG2 3.44Å; M100-T102 PolarHBondContact O-N 1.99Å; M100-T102 PolarHBondContact O-OG1 2.84Å; T102-Y104 PolarHBondContact O-N 2.94Å; T102-S189 VanDerWaalsContact O-CA 3.25Å; T102-S189 WeakPolarHBondContact O-CA 3.3Å; T102-Y190 PolarHBondContact N-O 2.91Å; T102-Y190 PolarHBondContact O-N 3.23Å; T102-Y190 WeakPolarHBondContact OG1-CE1 3.49Å
103	T	92.8	Very high	92	Very high	80 Å²	80	64.6 Å²	64.6	49%	0.491	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	118.7	171.9	-54.8	0	0	0	0	108.2	E106 A187 M188 S189	T103-E106 HydrophobicContact CG2-CG 4.47Å; T103-A187 HydrophobicContact CG2-CB 3.85Å; T103-M188 CarbonylContact C-O 3.54Å; T103-M188 WeakPolarHBondContact CA-O 3.32Å; T103-M188 WeakPolarHBondContact CG2-O 3.45Å; T103-S189 PolarHBondContact OG1-OG 3.47Å
104	Y	91.9	Very high	92	Very high	26 Å²	26	67.5 Å²	67.5	10%	0.102	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-20.5	179.4	66.5	-88.6	0	0	0	112.6	L91 T102 M188 Y190	L91-Y104 HydrophobicContact CD2-CD1 4.01Å; L91-Y104 HydrophobicContact CD2-CD2 3.71Å; L91-Y104 HydrophobicContact CD2-CE1 4.47Å; L91-Y104 HydrophobicContact CD2-CE2 4.22Å; L91-Y104 HydrophobicContact CD2-CG 3.58Å; T102-Y104 PolarHBondContact O-N 2.94Å; Y104-M188 HydrophobicContact CD1-CB 4.22Å; Y104-M188 WeakPolarHBondContact CD1-O 3.31Å; Y104-M188 HydrophobicContact CE1-CB 3.53Å; Y104-M188 HydrophobicContact CE2-CB 4.1Å; Y104-M188 VanDerWaalsContact CZ-CB 3.46Å; Y104-M188 PolarHBondContact N-O 2.72Å; Y104-Y190 AromaticContact CD1-CD1 3.7Å; Y104-Y190 HydrophobicContact CD1-CD1 3.7Å; Y104-Y190 HydrophobicContact CD1-CE1 4.49Å; Y104-Y190 HydrophobicContact CD1-CG 4.39Å; Y104-Y190 HydrophobicContact CG-CD1 4.19Å
105	C	91.4	Very high	92	Very high	23 Å²	23	67.6 Å²	67.6	16%	0.155	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	154.8	-179	163.8	0	0	0	0	112	C63 M188	C63-C105 HydrophobicContact CB-CB 3.96Å; C63-C105 WeakPolarHBondContact CB-SG 3.3Å; C63-C105 WeakPolarHBondContact SG-CB 3.45Å; C63-C105 CovalentContact SG-SG 1.99Å; C63-C105 PolarHBondContact SG-SG 2.87Å; C105-M188 PolarHBondContact O-N 3.41Å
106	E	92.1	Very high	92	Very high	115 Å²	115	69.2 Å²	69.2	54%	0.537	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.4	166.7	-64.7	-174.8	177	0	0	111.3	T103 I186 A187	T103-E106 HydrophobicContact CG2-CG 4.47Å; E106-I186 WeakPolarHBondContact CA-O 3.4Å; E106-A187 HydrophobicContact CG-CB 4.33Å
107	I	91.8	Very high	92.1	Very high	9 Å²	9	66.1 Å²	66.1	5%	0.046	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.9	177.1	-57.2	168.6	0	0	0	108.7	C63 R185 I186 M188	C63-I107 HydrophobicContact CB-CG1 4.22Å; C63-I107 WeakPolarHBondContact SG-CG1 3.44Å; I107-R185 WeakPolarHBondContact O-CA 3.45Å; I107-I186 PolarHBondContact N-O 3.38Å; I107-I186 PolarHBondContact O-N 2.77Å; I107-M188 HydrophobicContact CD1-CE 3.52Å; I107-M188 HydrophobicContact CD1-CG 3.71Å; I107-M188 HydrophobicContact CD1-SD 4.45Å; I107-M188 HydrophobicContact CG1-CG 4.26Å
108	E	91.2	Very high	92.1	Very high	109 Å²	109	64.2 Å²	64.2	51%	0.509	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	116.9	167.4	-58.8	-162.8	142.4	0	0	110.1	D110 K113 R185	E108-D110 PolarHBondContact O-N 3.13Å; E108-K113 WeakPolarHBondContact O-CD 3.39Å; E108-K113 PolarHBondContact O-NZ 3.28Å; E108-R185 HydrophobicContact CG-CG 4.24Å; E108-R185 IonicContact OE1-CZ 2.7Å; E108-R185 IonicContact OE1-NE 2.72Å; E108-R185 PolarHBondContact OE1-NE 2.84Å; E108-R185 IonicContact OE1-NH2 3.65Å; E108-R185 PolarHBondContact OE1-NH2 2.93Å
109	L	89.8	Confident	92	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.01	33%	0.333	C	S	.	.			trans	-87.1	87.8	-173.3	-151.5	94.4	0	0	0	111.4	R114 F117 L180 V181 N183 T184 I186	L109-R114 HydrophobicContact CD2-CB 3.51Å; L109-R114 HydrophobicContact CD2-CG 3.59Å; L109-R114 HydrophobicContact CG-CB 3.89Å; L109-R114 HydrophobicContact CG-CG 4.49Å; L109-F117 HydrophobicContact CD1-CD2 4.03Å; L109-F117 HydrophobicContact CD1-CE2 4.22Å; L109-L180 HydrophobicContact CD1-CD2 4.01Å; L109-L180 HydrophobicContact CD2-CD2 4.14Å; L109-V181 VanDerWaalsContact CD2-O 3.29Å; L109-V181 WeakPolarHBondContact CD2-O 3.14Å; L109-N183 PolarHBondContact O-N 3.34Å; L109-T184 VanDerWaalsContact CB-O 3.26Å; L109-T184 WeakPolarHBondContact CB-O 3.47Å; L109-T184 PolarHBondContact N-O 2.8Å; L109-I186 HydrophobicContact CD1-CD1 3.82Å
110	D	90.4	Very high	92	Very high	65 Å²	65	64.1 Å²	64.1	35%	0.348	33%	0.326	S	S	.	.			trans	-71.7	170.7	166.5	68.7	43.9	0	0	0	111.5	E108 A112 K113 R114	E108-D110 PolarHBondContact O-N 3.13Å; D110-A112 VanDerWaalsContact C-N 3.32Å; D110-A112 PolarHBondContact O-N 3Å; D110-A112 WeakPolarHBondContact OD1-CA 3.31Å; D110-A112 PolarHBondContact OD1-N 2.89Å; D110-K113 WeakPolarHBondContact OD1-CB 3.35Å; D110-K113 VanDerWaalsContact OD1-CG 3.29Å; D110-K113 WeakPolarHBondContact OD1-CG 3.43Å; D110-K113 PolarHBondContact OD1-N 2.84Å; D110-K113 WeakPolarHBondContact OD2-CD 3.41Å; D110-K113 WeakPolarHBondContact OD2-CE 3.18Å; D110-K113 WeakPolarHBondContact OD2-CG 3.1Å; D110-K113 IonicContact OD2-NZ 3.57Å; D110-R114 VanDerWaalsContact O-CB 3.32Å; D110-R114 WeakPolarHBondContact O-CB 3.39Å; D110-R114 PolarHBondContact O-N 2.86Å
111	K	89.9	Confident	92	Very high	144 Å²	144	58 Å²	58	63%	0.626	30%	0.296	S	S	*	.	H	α-helix	trans	-60.3	-40.2	-179	-172.7	-179.4	176.5	-175	0	112.3	D115	K111-D115 WeakPolarHBondContact O-CB 3.2Å; K111-D115 PolarHBondContact O-N 2.9Å
112	A	91.2	Very high	91.9	Very high	72 Å²	72	58.3 Å²	58.3	60%	0.595	30%	0.295	S	S	*	.	H	α-helix	trans	-70.4	-45.2	-176.4	0	0	0	0	0	111.8	D110 R114 D115 A116	D110-A112 VanDerWaalsContact C-N 3.32Å; D110-A112 PolarHBondContact O-N 3Å; D110-A112 WeakPolarHBondContact OD1-CA 3.31Å; D110-A112 PolarHBondContact OD1-N 2.89Å; A112-R114 VanDerWaalsContact C-N 3.34Å; A112-R114 PolarHBondContact O-N 2.83Å; A112-D115 PolarHBondContact O-N 3.14Å; A112-A116 PolarHBondContact O-N 2.66Å
113	K	91.3	Very high	91.8	Very high	73 Å²	73	57.2 Å²	57.2	32%	0.317	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-41.4	175.9	-68.2	178.2	-173	173.9	0	111.6	P61 E108 D110 A116 F117	P61-K113 HydrophobicContact CB-CB 3.91Å; P61-K113 HydrophobicContact CB-CD 3.96Å; P61-K113 HydrophobicContact CB-CG 3.58Å; P61-K113 HydrophobicContact CG-CB 3.74Å; P61-K113 HydrophobicContact CG-CG 3.97Å; E108-K113 WeakPolarHBondContact O-CD 3.39Å; E108-K113 PolarHBondContact O-NZ 3.28Å; D110-K113 WeakPolarHBondContact OD1-CB 3.35Å; D110-K113 VanDerWaalsContact OD1-CG 3.29Å; D110-K113 WeakPolarHBondContact OD1-CG 3.43Å; D110-K113 PolarHBondContact OD1-N 2.84Å; D110-K113 WeakPolarHBondContact OD2-CD 3.41Å; D110-K113 WeakPolarHBondContact OD2-CE 3.18Å; D110-K113 WeakPolarHBondContact OD2-CG 3.1Å; D110-K113 IonicContact OD2-NZ 3.57Å; K113-A116 PolarHBondContact O-N 2.71Å; K113-F117 WeakPolarHBondContact O-CD2 3.48Å; K113-F117 PolarHBondContact O-N 2.69Å
114	R	91.9	Very high	91.7	Very high	62 Å²	62	59.1 Å²	59.1	23%	0.234	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-49.2	174.1	-176.2	-105.6	-70.7	175.8	-11.6	111.1	L109 D110 A112 A116 F117 V118 L180	L109-R114 HydrophobicContact CD2-CB 3.51Å; L109-R114 HydrophobicContact CD2-CG 3.59Å; L109-R114 HydrophobicContact CG-CB 3.89Å; L109-R114 HydrophobicContact CG-CG 4.49Å; D110-R114 VanDerWaalsContact O-CB 3.32Å; D110-R114 WeakPolarHBondContact O-CB 3.39Å; D110-R114 PolarHBondContact O-N 2.86Å; A112-R114 VanDerWaalsContact C-N 3.34Å; A112-R114 PolarHBondContact O-N 2.83Å; R114-A116 VanDerWaalsContact C-N 3.27Å; R114-A116 PolarHBondContact O-N 2.65Å; R114-F117 PolarHBondContact O-N 2.89Å; R114-V118 HydrophobicContact CG-CG2 4.34Å; R114-V118 WeakPolarHBondContact O-CB 3.37Å; R114-V118 VanDerWaalsContact O-CG2 3.31Å; R114-V118 WeakPolarHBondContact O-CG2 3.33Å; R114-V118 PolarHBondContact O-N 2.96Å; R114-L180 HydrophobicContact CG-CB 4.27Å
115	D	92.4	Very high	91.8	Very high	66 Å²	66	58.6 Å²	58.6	35%	0.353	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-35.6	-179.2	-69.9	-17.8	0	0	0	111.5	K111 A112 V118 Y119	K111-D115 WeakPolarHBondContact O-CB 3.2Å; K111-D115 PolarHBondContact O-N 2.9Å; A112-D115 PolarHBondContact O-N 3.14Å; D115-V118 PolarHBondContact O-N 3.42Å; D115-Y119 VanDerWaalsContact O-CB 3.28Å; D115-Y119 WeakPolarHBondContact O-CB 3.49Å; D115-Y119 PolarHBondContact O-N 3.08Å
116	A	92.9	Very high	91.9	Very high	33 Å²	33	58.3 Å²	58.3	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-62.4	-47.6	172.8	0	0	0	0	0	112.7	P61 A112 K113 R114 Y119 A120	P61-A116 HydrophobicContact CG-CB 4.4Å; A112-A116 PolarHBondContact O-N 2.66Å; K113-A116 PolarHBondContact O-N 2.71Å; R114-A116 VanDerWaalsContact C-N 3.27Å; R114-A116 PolarHBondContact O-N 2.65Å; A116-Y119 PolarHBondContact O-N 3.31Å; A116-A120 WeakPolarHBondContact O-CB 3.4Å; A116-A120 PolarHBondContact O-N 3.2Å
117	F	93.7	Very high	91.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-41.1	175.9	-76.7	-52.3	0	0	0	112.6	L60 P61 F62 L109 K113 R114 Y119 A120 I121 V140 L152 L180	L60-F117 HydrophobicContact CB-CE1 4.42Å; P61-F117 HydrophobicContact CB-CE2 4.41Å; P61-F117 HydrophobicContact CB-CZ 4.44Å; P61-F117 HydrophobicContact CG-CD2 3.9Å; P61-F117 HydrophobicContact CG-CE1 4.17Å; P61-F117 HydrophobicContact CG-CE2 3.54Å; P61-F117 HydrophobicContact CG-CG 4.39Å; P61-F117 HydrophobicContact CG-CZ 3.68Å; F62-F117 HydrophobicContact CD1-CE1 4.19Å; F62-F117 HydrophobicContact CD1-CZ 4.21Å; F62-F117 HydrophobicContact CD2-CE1 4.48Å; F62-F117 AromaticContact CE1-CE1 3.87Å; F62-F117 HydrophobicContact CE1-CE1 3.87Å; F62-F117 HydrophobicContact CE1-CZ 4.25Å; F62-F117 HydrophobicContact CE2-CE1 4.2Å; F62-F117 HydrophobicContact CG-CE1 4.48Å; F62-F117 AromaticContact CZ-CE1 3.88Å; F62-F117 HydrophobicContact CZ-CE1 3.88Å; L109-F117 HydrophobicContact CD1-CD2 4.03Å; L109-F117 HydrophobicContact CD1-CE2 4.22Å; K113-F117 WeakPolarHBondContact O-CD2 3.48Å; K113-F117 PolarHBondContact O-N 2.69Å; R114-F117 PolarHBondContact O-N 2.89Å; F117-Y119 VanDerWaalsContact C-N 3.31Å; F117-Y119 PolarHBondContact O-N 3.2Å; F117-A120 WeakPolarHBondContact O-CB 3.47Å; F117-A120 PolarHBondContact O-N 2.74Å; F117-I121 VanDerWaalsContact O-CG1 3.26Å; F117-I121 WeakPolarHBondContact O-CG1 3.42Å; F117-I121 PolarHBondContact O-N 2.95Å; F117-V140 HydrophobicContact CD1-CG1 4.07Å; F117-L152 HydrophobicContact CD1-CD1 3.77Å; F117-L152 HydrophobicContact CD2-CD2 4.21Å; F117-L152 HydrophobicContact CE1-CD1 3.93Å; F117-L152 HydrophobicContact CE1-CD2 4.29Å; F117-L152 HydrophobicContact CE2-CD2 3.94Å; F117-L152 HydrophobicContact CG-CD1 4.22Å; F117-L152 HydrophobicContact CG-CD2 4.48Å; F117-L152 HydrophobicContact CZ-CD1 4.46Å; F117-L152 HydrophobicContact CZ-CD2 4Å; F117-L180 HydrophobicContact CB-CD1 3.68Å; F117-L180 HydrophobicContact CB-CD2 4.38Å; F117-L180 HydrophobicContact CD2-CD2 4.38Å
118	V	93.2	Very high	91.9	Very high	21 Å²	21	53.1 Å²	53.1	13%	0.127	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-44.4	175.7	166.7	0	0	0	0	110.6	R114 D115 I121 K122 H150 L180	R114-V118 HydrophobicContact CG-CG2 4.34Å; R114-V118 WeakPolarHBondContact O-CB 3.37Å; R114-V118 VanDerWaalsContact O-CG2 3.31Å; R114-V118 WeakPolarHBondContact O-CG2 3.33Å; R114-V118 PolarHBondContact O-N 2.96Å; D115-V118 PolarHBondContact O-N 3.42Å; V118-I121 PolarHBondContact O-N 2.62Å; V118-K122 HydrophobicContact CG1-CD 4.13Å; V118-K122 HydrophobicContact CG1-CG 4.46Å; V118-K122 WeakPolarHBondContact O-CB 3.26Å; V118-K122 WeakPolarHBondContact O-CG 3.21Å; V118-K122 PolarHBondContact O-N 3.36Å; V118-H150 VanDerWaalsContact CG1-CD2 3.47Å; V118-H150 WeakPolarHBondContact CG1-CD2 3.37Å; V118-H150 HydrophobicContact CG2-CB 4.24Å; V118-L180 HydrophobicContact CG2-CD1 3.91Å
119	Y	92.7	Very high	92	Very high	129 Å²	129	47.9 Å²	47.9	51%	0.506	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-45	175.4	177.8	-97.2	0	0	0	111.8	D115 A116 F117 I121 K122 N123 Y125	D115-Y119 VanDerWaalsContact O-CB 3.28Å; D115-Y119 WeakPolarHBondContact O-CB 3.49Å; D115-Y119 PolarHBondContact O-N 3.08Å; A116-Y119 PolarHBondContact O-N 3.31Å; F117-Y119 VanDerWaalsContact C-N 3.31Å; F117-Y119 PolarHBondContact O-N 3.2Å; Y119-I121 PolarHBondContact O-N 3.25Å; Y119-K122 PolarHBondContact O-N 2.96Å; Y119-N123 WeakPolarHBondContact CD2-ND2 3.46Å; Y119-N123 VanDerWaalsContact CE2-ND2 3.28Å; Y119-N123 WeakPolarHBondContact CE2-ND2 3.27Å; Y119-N123 PolarHBondContact O-N 3.22Å; Y119-N123 VanDerWaalsContact O-N 3.15Å; Y119-N123 PolarHBondContact O-ND2 3.11Å; Y119-Y125 HydrophobicContact CE1-CE1 4.3Å; Y119-Y125 AromaticContact CE1-CZ 3.93Å; Y119-Y125 WeakPolarHBondContact CE1-OH 3.27Å
120	A	93.1	Very high	92	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-44.5	177.4	0	0	0	0	0	112	L60 A116 F117 N123 H124 Y125 V140	L60-A120 HydrophobicContact CD1-CB 4.08Å; L60-A120 HydrophobicContact CD2-CB 3.89Å; A116-A120 WeakPolarHBondContact O-CB 3.4Å; A116-A120 PolarHBondContact O-N 3.2Å; F117-A120 WeakPolarHBondContact O-CB 3.47Å; F117-A120 PolarHBondContact O-N 2.74Å; A120-N123 CarbonylContact O-C 3.42Å; A120-N123 PolarHBondContact O-N 2.93Å; A120-H124 PolarHBondContact O-N 3.39Å; A120-Y125 HydrophobicContact CB-CD1 4.36Å; A120-Y125 HydrophobicContact CB-CD2 3.81Å; A120-Y125 HydrophobicContact CB-CE2 4.49Å; A120-Y125 HydrophobicContact CB-CG 3.73Å; A120-Y125 WeakPolarHBondContact O-CB 3.26Å; A120-Y125 VanDerWaalsContact O-CD1 3.32Å; A120-Y125 WeakPolarHBondContact O-CD1 3.47Å; A120-Y125 PolarHBondContact O-N 3.41Å; A120-V140 HydrophobicContact CB-CG1 4.31Å
121	I	93.4	Very high	92	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-45.7	179	-67.7	165.5	0	0	0	111	F117 V118 Y119 N123 H124 V140 A143 H150 Y151 L180	F117-I121 VanDerWaalsContact O-CG1 3.26Å; F117-I121 WeakPolarHBondContact O-CG1 3.42Å; F117-I121 PolarHBondContact O-N 2.95Å; V118-I121 PolarHBondContact O-N 2.62Å; Y119-I121 PolarHBondContact O-N 3.25Å; I121-N123 PolarHBondContact O-N 2.94Å; I121-H124 PolarHBondContact O-N 3.28Å; I121-V140 HydrophobicContact CG1-CG1 4.46Å; I121-A143 HydrophobicContact CG2-CB 4.2Å; I121-H150 HydrophobicContact CD1-CB 4.1Å; I121-H150 HydrophobicContact CG2-CB 4.44Å; I121-Y151 WeakPolarHBondContact CD1-O 3.42Å; I121-L180 HydrophobicContact CD1-CD1 3.63Å
122	K	91.2	Very high	91.9	Very high	129 Å²	129	39.1 Å²	39.1	56%	0.561	19%	0.193	S	C	*	.	H	α-helix	trans	-59.2	-32.8	178.1	-77.4	-176.7	178.8	-174	0	113.1	V118 Y119 H150	V118-K122 HydrophobicContact CG1-CD 4.13Å; V118-K122 HydrophobicContact CG1-CG 4.46Å; V118-K122 WeakPolarHBondContact O-CB 3.26Å; V118-K122 WeakPolarHBondContact O-CG 3.21Å; V118-K122 PolarHBondContact O-N 3.36Å; Y119-K122 PolarHBondContact O-N 2.96Å; K122-H150 WeakPolarHBondContact CE-NE2 3.49Å
123	N	89.8	Confident	91.7	Very high	39 Å²	39	37 Å²	37	21%	0.209	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	13.9	179.4	-67.2	-76.1	0	0	0	113.1	Y119 A120 I121 Y125	Y119-N123 WeakPolarHBondContact CD2-ND2 3.46Å; Y119-N123 VanDerWaalsContact CE2-ND2 3.28Å; Y119-N123 WeakPolarHBondContact CE2-ND2 3.27Å; Y119-N123 PolarHBondContact O-N 3.22Å; Y119-N123 VanDerWaalsContact O-N 3.15Å; Y119-N123 PolarHBondContact O-ND2 3.11Å; A120-N123 CarbonylContact O-C 3.42Å; A120-N123 PolarHBondContact O-N 2.93Å; I121-N123 PolarHBondContact O-N 2.94Å; N123-Y125 HydrophobicContact CB-CD1 3.68Å; N123-Y125 HydrophobicContact CB-CE1 3.48Å; N123-Y125 VanDerWaalsContact CB-CE1 3.48Å; N123-Y125 PolarHBondContact O-N 3.19Å
124	H	91.4	Very high	91.7	Very high	121 Å²	121	33.6 Å²	33.6	56%	0.56	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	55.1	-179.3	-59.8	-72.5	0	0	0	112.7	Y48 A120 I121 W126	Y48-H124 WeakPolarHBondContact CB-O 3.34Å; Y48-H124 PolarHBondContact N-O 2.72Å; A120-H124 PolarHBondContact O-N 3.39Å; I121-H124 PolarHBondContact O-N 3.28Å; H124-W126 PolarHBondContact O-N 3.07Å
125	Y	93.5	Very high	91.6	Very high	15 Å²	15	31.2 Å²	31.2	6%	0.059	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	134.2	179.3	-84.9	37.8	0	0	0	111.2	G46 P47 L60 Y119 A120 N123 V140	G46-Y125 CarbonylContact O-C 3.57Å; G46-Y125 VanDerWaalsContact O-CA 3.22Å; G46-Y125 WeakPolarHBondContact O-CA 3.39Å; P47-Y125 HydrophobicContact CB-CD1 4.08Å; P47-Y125 HydrophobicContact CB-CE1 3.76Å; P47-Y125 HydrophobicContact CG-CE1 4.24Å; L60-Y125 HydrophobicContact CD1-CD2 4.29Å; Y119-Y125 HydrophobicContact CE1-CE1 4.3Å; Y119-Y125 AromaticContact CE1-CZ 3.93Å; Y119-Y125 WeakPolarHBondContact CE1-OH 3.27Å; A120-Y125 HydrophobicContact CB-CD1 4.36Å; A120-Y125 HydrophobicContact CB-CD2 3.81Å; A120-Y125 HydrophobicContact CB-CE2 4.49Å; A120-Y125 HydrophobicContact CB-CG 3.73Å; A120-Y125 WeakPolarHBondContact O-CB 3.26Å; A120-Y125 VanDerWaalsContact O-CD1 3.32Å; A120-Y125 WeakPolarHBondContact O-CD1 3.47Å; A120-Y125 PolarHBondContact O-N 3.41Å; N123-Y125 HydrophobicContact CB-CD1 3.68Å; N123-Y125 HydrophobicContact CB-CE1 3.48Å; N123-Y125 VanDerWaalsContact CB-CE1 3.48Å; N123-Y125 PolarHBondContact O-N 3.19Å; Y125-V140 PolarHBondContact O-N 3.46Å
126	W	92.9	Very high	91.6	Very high	16 Å²	16	28.4 Å²	28.4	6%	0.061	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	163.5	169.3	66.2	-77.5	0	0	0	109.4	V45 G46 P47 Y48 R51 T54 H124 Q128 W137 G138	V45-W126 CarbonylContact C-O 3.59Å; V45-W126 VanDerWaalsContact CA-O 3.27Å; V45-W126 WeakPolarHBondContact CA-O 3.42Å; G46-W126 PolarHBondContact N-O 2.81Å; G46-W126 PolarHBondContact O-N 3.38Å; G46-W126 PolarHBondContact O-NE1 2.68Å; P47-W126 PolarHBondContact O-NE1 2.8Å; Y48-W126 VanDerWaalsContact CA-CD1 3.48Å; R51-W126 HydrophobicContact CB-CZ2 4.49Å; T54-W126 HydrophobicContact CG2-CZ2 4.4Å; H124-W126 PolarHBondContact O-N 3.07Å; W126-Q128 HydrophobicContact CE3-CB 4.42Å; W126-Q128 HydrophobicContact CH2-CB 4.47Å; W126-Q128 HydrophobicContact CZ3-CB 3.68Å; W126-Q128 HydrophobicContact CZ3-CG 4.16Å; W126-W137 AromaticContact CE3-CD1 3.54Å; W126-W137 AromaticContact CZ3-CD1 3.36Å; W126-W137 AromaticContact CZ3-NE1 3.68Å; W126-G138 CarbonylContact C-O 3.34Å; W126-G138 WeakPolarHBondContact CA-O 3.47Å
127	Y	92.8	Very high	91.5	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.1	172.5	61.3	-99.3	0	0	0	111.2	T44 Y57 M129 W137 G138 I139 V140 K156 L172 S174	T44-Y127 CarbonylContact O-C 3.25Å; T44-Y127 VanDerWaalsContact O-CA 3.29Å; T44-Y127 WeakPolarHBondContact O-CA 3.18Å; Y57-Y127 AromaticContact CE2-CD2 3.69Å; Y57-Y127 HydrophobicContact CE2-CD2 3.69Å; Y57-Y127 AromaticContact CE2-CG 3.72Å; Y57-Y127 HydrophobicContact CE2-CG 3.72Å; Y127-M129 HydrophobicContact CD2-CG 4.11Å; Y127-M129 HydrophobicContact CD2-SD 4.24Å; Y127-M129 HydrophobicContact CE2-CE 3.92Å; Y127-M129 HydrophobicContact CE2-CG 4.4Å; Y127-M129 HydrophobicContact CE2-SD 3.99Å; Y127-W137 WeakPolarHBondContact O-CA 3.39Å; Y127-G138 WeakPolarHBondContact CD1-O 3.33Å; Y127-G138 PolarHBondContact N-O 2.95Å; Y127-G138 PolarHBondContact O-N 3.34Å; Y127-I139 VanDerWaalsContact CE1-O 3.31Å; Y127-I139 WeakPolarHBondContact CE1-O 3.31Å; Y127-V140 HydrophobicContact CD1-CG2 4.08Å; Y127-K156 PolarHBondContact OH-NZ 3.16Å; Y127-L172 HydrophobicContact CE2-CD2 3.98Å; Y127-S174 PolarHBondContact OH-OG 2.87Å
128	Q	91.5	Very high	91.4	Very high	13 Å²	13	32.8 Å²	32.8	6%	0.061	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.9	178.3	-153.5	175.7	15.7	0	0	111.4	N43 T44 W126 Y130 I136	N43-Q128 HydrophobicContact CB-CB 4.33Å; N43-Q128 PolarHBondContact N-O 3.19Å; N43-Q128 VanDerWaalsContact N-O 3.07Å; N43-Q128 PolarHBondContact ND2-OE1 2.86Å; T44-Q128 PolarHBondContact O-N 2.94Å; W126-Q128 HydrophobicContact CE3-CB 4.42Å; W126-Q128 HydrophobicContact CH2-CB 4.47Å; W126-Q128 HydrophobicContact CZ3-CB 3.68Å; W126-Q128 HydrophobicContact CZ3-CG 4.16Å; Q128-Y130 HydrophobicContact CG-CE2 4.3Å; Q128-Y130 PolarHBondContact NE2-OH 3.02Å; Q128-Y130 PolarHBondContact OE1-OH 3.47Å; Q128-I136 CarbonylContact C-O 3.39Å; Q128-I136 WeakPolarHBondContact CA-O 3.45Å
129	M	92.4	Very high	91.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	164.1	170.5	-48.4	176.5	-58.9	0	0	109.3	L40 W41 M42 Y57 Y127 I136 L172	L40-M129 HydrophobicContact CD1-CB 3.78Å; L40-M129 HydrophobicContact CD1-CE 4.43Å; L40-M129 HydrophobicContact CD1-SD 4.29Å; L40-M129 HydrophobicContact CD2-SD 4.3Å; W41-M129 CarbonylContact O-C 3.58Å; W41-M129 WeakPolarHBondContact O-CA 3.41Å; W41-M129 WeakPolarHBondContact O-CB 3.48Å; M42-M129 HydrophobicContact CE-SD 3.67Å; M42-M129 HydrophobicContact SD-CB 4.46Å; M42-M129 HydrophobicContact SD-CG 3.54Å; M42-M129 VanDerWaalsContact SD-CG 3.54Å; M42-M129 HydrophobicContact SD-SD 3.43Å; Y57-M129 HydrophobicContact CE2-CG 4.44Å; Y127-M129 HydrophobicContact CD2-CG 4.11Å; Y127-M129 HydrophobicContact CD2-SD 4.24Å; Y127-M129 HydrophobicContact CE2-CE 3.92Å; Y127-M129 HydrophobicContact CE2-CG 4.4Å; Y127-M129 HydrophobicContact CE2-SD 3.99Å; M129-I136 HydrophobicContact CB-CB 4.31Å; M129-I136 HydrophobicContact CE-CB 4.29Å; M129-I136 HydrophobicContact CE-CG2 3.81Å; M129-I136 PolarHBondContact N-O 3.39Å; M129-I136 PolarHBondContact O-N 3Å; M129-L172 HydrophobicContact CE-CD1 4.42Å; M129-L172 HydrophobicContact CE-CD2 3.69Å
130	Y	90.4	Very high	91.4	Very high	24 Å²	24	29.8 Å²	29.8	9%	0.094	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.4	174.9	-66.5	-84.4	0	0	0	110.9	W41 N43 L86 Q128 L134 P135 R318	W41-Y130 PolarHBondContact N-O 3.37Å; W41-Y130 PolarHBondContact O-N 3.07Å; N43-Y130 HydrophobicContact CB-CD2 4.05Å; N43-Y130 HydrophobicContact CB-CE2 3.84Å; L86-Y130 HydrophobicContact CD2-CD2 3.93Å; L86-Y130 HydrophobicContact CD2-CE2 4.34Å; Q128-Y130 HydrophobicContact CG-CE2 4.3Å; Q128-Y130 PolarHBondContact NE2-OH 3.02Å; Q128-Y130 PolarHBondContact OE1-OH 3.47Å; Y130-L134 WeakPolarHBondContact CA-O 3.46Å; Y130-P135 HydrophobicContact CD1-CB 4.1Å; Y130-P135 HydrophobicContact CE1-CB 3.65Å; Y130-R318 HydrophobicContact CE1-CG 4.42Å
131	I	90.6	Very high	91.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123	163.5	-67.2	-178.8	0	0	0	105.5	V38 L40 D133 L134 I136 I160 I167 V170	V38-I131 HydrophobicContact CG1-CG2 3.69Å; L40-I131 HydrophobicContact CB-CD1 4.47Å; L40-I131 HydrophobicContact CB-CG1 4.16Å; L40-I131 HydrophobicContact CD1-CD1 3.85Å; L40-I131 HydrophobicContact CD1-CG1 3.48Å; L40-I131 VanDerWaalsContact CD1-CG1 3.48Å; L40-I131 HydrophobicContact CG-CG1 4.43Å; I131-D133 VanDerWaalsContact C-N 3.27Å; I131-D133 PolarHBondContact O-N 3.44Å; I131-L134 PolarHBondContact N-O 3.31Å; I131-L134 VanDerWaalsContact O-CB 3.3Å; I131-L134 WeakPolarHBondContact O-CB 3.37Å; I131-L134 PolarHBondContact O-N 2.93Å; I131-I136 HydrophobicContact CB-CD1 4.36Å; I131-I136 HydrophobicContact CD1-CD1 3.98Å; I131-I136 HydrophobicContact CG1-CD1 3.88Å; I131-I160 HydrophobicContact CD1-CD1 4.04Å; I131-I167 HydrophobicContact CG2-CD1 3.98Å; I131-V170 HydrophobicContact CB-CG2 4.2Å; I131-V170 HydrophobicContact CD1-CG1 4.23Å; I131-V170 HydrophobicContact CG2-CG2 4.31Å
132	D	88.7	Confident	91.3	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	46	177	-164.9	38.4	0	0	0	112.9	H30 Y32 L134 I167 R204	H30-D132 IonicContact CE1-OD1 3.77Å; H30-D132 IonicContact CG-OD1 2.72Å; H30-D132 IonicContact ND1-OD1 2.9Å; H30-D132 PolarHBondContact ND1-OD1 3.21Å; H30-D132 IonicContact ND1-OD2 2.63Å; Y32-D132 HydrophobicContact CE2-CB 4.48Å; Y32-D132 WeakPolarHBondContact OH-CB 3.5Å; Y32-D132 PolarHBondContact OH-OD1 3.1Å; Y32-D132 VanDerWaalsContact OH-OD1 3.08Å; D132-L134 PolarHBondContact O-N 2.81Å; D132-I167 HydrophobicContact CB-CB 4.23Å; D132-I167 HydrophobicContact CB-CD1 4.15Å; D132-R204 PolarHBondContact O-NH1 2.88Å; D132-R204 IonicContact OD2-NH1 2.63Å; D132-R204 PolarHBondContact OD2-NH1 3.02Å
133	D	86.7	Confident	91.1	Very high	28 Å²	28	29.9 Å²	29.9	15%	0.15	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-4.8	-171.8	-65.6	-33	0	0	0	117.6	H30 I131 P135 R318	H30-D133 IonicContact CE1-OD2 3.76Å; H30-D133 PolarHBondContact CE1-OD2 2.86Å; H30-D133 IonicContact NE2-OD2 2.93Å; I131-D133 VanDerWaalsContact C-N 3.27Å; I131-D133 PolarHBondContact O-N 3.44Å; D133-P135 VanDerWaalsContact O-CD 3.31Å; D133-P135 WeakPolarHBondContact O-CD 3.3Å; D133-R318 IonicContact OD1-CZ 2.68Å; D133-R318 IonicContact OD1-NE 3.75Å; D133-R318 IonicContact OD1-NH1 2.72Å; D133-R318 PolarHBondContact OD1-NH1 2.81Å; D133-R318 IonicContact OD1-NH2 3.13Å; D133-R318 PolarHBondContact OD1-NH2 3.37Å; D133-R318 VanDerWaalsContact OD1-NH2 3.13Å
134	L	89.8	Confident	91	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	119.2	177.2	-60	171.7	0	0	0	110.1	Y130 I131 D132 I167 V170 R204 F205 Y208	Y130-L134 WeakPolarHBondContact CA-O 3.46Å; I131-L134 PolarHBondContact N-O 3.31Å; I131-L134 VanDerWaalsContact O-CB 3.3Å; I131-L134 WeakPolarHBondContact O-CB 3.37Å; I131-L134 PolarHBondContact O-N 2.93Å; D132-L134 PolarHBondContact O-N 2.81Å; L134-I167 HydrophobicContact CD1-CG2 3.99Å; L134-V170 HydrophobicContact CB-CG2 4.36Å; L134-V170 HydrophobicContact CD1-CG2 3.91Å; L134-R204 HydrophobicContact CD2-CG 4.02Å; L134-F205 HydrophobicContact CD2-CD2 4.34Å; L134-F205 HydrophobicContact CD2-CE1 4.48Å; L134-F205 HydrophobicContact CD2-CE2 3.98Å; L134-F205 HydrophobicContact CD2-CZ 4.05Å; L134-Y208 HydrophobicContact CD2-CE2 3.91Å
135	P	90.1	Very high	90.5	Very high	13 Å²	13	34.7 Å²	34.7	8%	0.084	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	138.8	-179.9	28.9	-34	0	0	0	111.4	Y130 D133 W137 Y208	Y130-P135 HydrophobicContact CD1-CB 4.1Å; Y130-P135 HydrophobicContact CE1-CB 3.65Å; D133-P135 VanDerWaalsContact O-CD 3.31Å; D133-P135 WeakPolarHBondContact O-CD 3.3Å; P135-W137 HydrophobicContact CB-CH2 3.51Å; P135-W137 HydrophobicContact CB-CZ2 3.53Å; P135-W137 HydrophobicContact CB-CZ3 4.06Å; P135-W137 HydrophobicContact CG-CH2 3.33Å; P135-W137 HydrophobicContact CG-CZ2 3.84Å; P135-W137 HydrophobicContact CG-CZ3 3.93Å; P135-Y208 HydrophobicContact CG-CD1 4.21Å; P135-Y208 HydrophobicContact CG-CE1 3.94Å; P135-Y208 HydrophobicContact CG-CE2 4.34Å; P135-Y208 HydrophobicContact CG-CG 4.47Å; P135-Y208 VanDerWaalsContact O-CE1 3.3Å; P135-Y208 WeakPolarHBondContact O-CE1 3.37Å; P135-Y208 PolarHBondContact O-OH 2.95Å
136	I	92.2	Very high	89.8	Confident	6 Å²	6	40.3 Å²	40.3	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.6	177.1	-51.9	166	0	0	0	107.7	L40 Q128 M129 I131 L158 V170 L172	L40-I136 HydrophobicContact CD1-CD1 4.17Å; Q128-I136 CarbonylContact C-O 3.39Å; Q128-I136 WeakPolarHBondContact CA-O 3.45Å; M129-I136 HydrophobicContact CB-CB 4.31Å; M129-I136 HydrophobicContact CE-CB 4.29Å; M129-I136 HydrophobicContact CE-CG2 3.81Å; M129-I136 PolarHBondContact N-O 3.39Å; M129-I136 PolarHBondContact O-N 3Å; I131-I136 HydrophobicContact CB-CD1 4.36Å; I131-I136 HydrophobicContact CD1-CD1 3.98Å; I131-I136 HydrophobicContact CG1-CD1 3.88Å; I136-L158 HydrophobicContact CD1-CD2 4.48Å; I136-V170 HydrophobicContact CD1-CB 4.24Å; I136-V170 HydrophobicContact CD1-CG1 3.47Å; I136-V170 VanDerWaalsContact CD1-CG1 3.47Å; I136-V170 HydrophobicContact CG1-CB 4.25Å; I136-V170 HydrophobicContact CG1-CG1 3.87Å; I136-L172 HydrophobicContact CG2-CB 3.46Å; I136-L172 VanDerWaalsContact CG2-CB 3.46Å; I136-L172 HydrophobicContact CG2-CD2 3.75Å; I136-L172 HydrophobicContact CG2-CG 4.22Å
137	W	91.1	Very high	89	Confident	115 Å²	115	41.4 Å²	41.4	44%	0.436	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.1	176.8	-60	-81.4	0	0	0	110.9	W126 Y127 P135 Y208	W126-W137 AromaticContact CE3-CD1 3.54Å; W126-W137 AromaticContact CZ3-CD1 3.36Å; W126-W137 AromaticContact CZ3-NE1 3.68Å; Y127-W137 WeakPolarHBondContact O-CA 3.39Å; P135-W137 HydrophobicContact CB-CH2 3.51Å; P135-W137 HydrophobicContact CB-CZ2 3.53Å; P135-W137 HydrophobicContact CB-CZ3 4.06Å; P135-W137 HydrophobicContact CG-CH2 3.33Å; P135-W137 HydrophobicContact CG-CZ2 3.84Å; P135-W137 HydrophobicContact CG-CZ3 3.93Å; W137-Y208 AromaticContact CH2-CD1 3.94Å; W137-Y208 HydrophobicContact CH2-CD1 3.94Å; W137-Y208 HydrophobicContact CH2-CE1 4.2Å; W137-Y208 AromaticContact CZ3-CD1 3.55Å; W137-Y208 HydrophobicContact CZ3-CD1 3.55Å; W137-Y208 AromaticContact CZ3-CE1 3.57Å; W137-Y208 HydrophobicContact CZ3-CE1 3.57Å
138	G	91.9	Very high	88.4	Confident	10 Å²	10	49 Å²	49	10%	0.103	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	163.2	171.5	0	0	0	0	0	111.7	W126 Y127	W126-G138 CarbonylContact C-O 3.34Å; W126-G138 WeakPolarHBondContact CA-O 3.47Å; Y127-G138 WeakPolarHBondContact CD1-O 3.33Å; Y127-G138 PolarHBondContact N-O 2.95Å; Y127-G138 PolarHBondContact O-N 3.34Å
139	I	92.6	Very high	88.3	Confident	85 Å²	85	50.6 Å²	50.6	44%	0.436	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	142.6	173.3	55.4	169.7	0	0	0	109.6	Y127	Y127-I139 VanDerWaalsContact CE1-O 3.31Å; Y127-I139 WeakPolarHBondContact CE1-O 3.31Å
140	V	93.2	Very high	88.3	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.012	27%	0.271	C	S	.	.	S	Bend	trans	-64.4	-45.3	-177.7	171.8	0	0	0	0	111.2	L60 F62 F117 A120 I121 Y125 Y127 L152 W153	L60-V140 HydrophobicContact CD1-CG1 4.46Å; L60-V140 HydrophobicContact CD1-CG2 3.83Å; F62-V140 HydrophobicContact CE2-CG2 4.45Å; F62-V140 HydrophobicContact CZ-CG1 4.09Å; F62-V140 HydrophobicContact CZ-CG2 4.34Å; F117-V140 HydrophobicContact CD1-CG1 4.07Å; A120-V140 HydrophobicContact CB-CG1 4.31Å; I121-V140 HydrophobicContact CG1-CG1 4.46Å; Y125-V140 PolarHBondContact O-N 3.46Å; Y127-V140 HydrophobicContact CD1-CG2 4.08Å; V140-L152 HydrophobicContact CG1-CD1 3.76Å; V140-L152 WeakPolarHBondContact O-CD1 3.44Å; V140-W153 PolarHBondContact O-N 3.16Å
141	G	92.3	Very high	88.4	Confident	12 Å²	12	53.2 Å²	53.2	12%	0.124	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	-173	-174.6	0	0	0	0	0	111.6	Y151 W153	G141-Y151 CarbonylContact C-O 3.59Å; G141-Y151 WeakPolarHBondContact CA-O 3.41Å; G141-W153 VanDerWaalsContact CA-CD1 3.41Å
142	E	91.6	Very high	88.6	Confident	87 Å²	87	53.2 Å²	53.2	41%	0.407	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.4	179.8	-162.7	-179.9	-178.6	0	0	109.8	Y151 K177	E142-Y151 PolarHBondContact N-O 3.29Å; E142-Y151 PolarHBondContact O-N 2.87Å; E142-K177 VanDerWaalsContact OE2-CE 3.31Å; E142-K177 WeakPolarHBondContact OE2-CE 2.97Å; E142-K177 IonicContact OE2-NZ 2.76Å; E142-K177 PolarHBondContact OE2-NZ 2.94Å
143	A	88.8	Confident	88.8	Confident	37 Å²	37	55.1 Å²	55.1	31%	0.306	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	153.1	170.2	0	0	0	0	0	109.8	I121 D149	I121-A143 HydrophobicContact CG2-CB 4.2Å; A143-D149 WeakPolarHBondContact CA-O 3.48Å
144	D	87.1	Confident	89.2	Confident	69 Å²	69	54.4 Å²	54.4	37%	0.369	28%	0.281	S	S	.	.			trans	-63.7	165.2	173	-150.7	-9.2	0	0	0	112	N146 G147 D149 Y151	D144-N146 PolarHBondContact O-N 2.98Å; D144-N146 VanDerWaalsContact O-N 3.13Å; D144-G147 WeakPolarHBondContact O-CA 3.47Å; D144-G147 PolarHBondContact O-N 3.24Å; D144-D149 HydrophobicContact CB-CB 4.17Å; D144-D149 PolarHBondContact N-O 2.95Å; D144-Y151 HydrophobicContact CB-CE2 4.04Å
145	E	79.9	Confident	89.4	Confident	192 Å²	192	55.9 Å²	55.9	90%	0.897	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.1	179.6	-66.7	-173	168	0	0	112.5
146	N	78.6	Confident	89.6	Confident	132 Å²	132	55.7 Å²	55.7	71%	0.706	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-10	177.4	-64.2	-21.4	0	0	0	113.6	D144 E148	D144-N146 PolarHBondContact O-N 2.98Å; D144-N146 VanDerWaalsContact O-N 3.13Å; N146-E148 HydrophobicContact CB-CG 4.46Å; N146-E148 PolarHBondContact O-N 2.87Å
147	G	76.5	Confident	89.8	Confident	40 Å²	40	57.2 Å²	57.2	41%	0.412	29%	0.291	S	S	.	.	S	Bend	trans	72.5	2.5	-179.8	0	0	0	0	0	116	D144	D144-G147 WeakPolarHBondContact O-CA 3.47Å; D144-G147 PolarHBondContact O-N 3.24Å
148	E	81.4	Confident	90	Very high	161 Å²	161	51.9 Å²	51.9	75%	0.752	27%	0.271	S	S	*	.	S	Bend	trans	-81.4	-39.2	-178.6	-62.7	-169	157.3	0	0	112.8	N146	N146-E148 HydrophobicContact CB-CG 4.46Å; N146-E148 PolarHBondContact O-N 2.87Å
149	D	88.8	Confident	90.1	Very high	47 Å²	47	54.2 Å²	54.2	25%	0.251	28%	0.279	S	S	.	.			trans	-103.4	140.2	-178.3	-76	-29.4	0	0	0	111.8	A143 D144 Y151 K179	A143-D149 WeakPolarHBondContact CA-O 3.48Å; D144-D149 HydrophobicContact CB-CB 4.17Å; D144-D149 PolarHBondContact N-O 2.95Å; D149-Y151 HydrophobicContact CB-CE2 3.86Å; D149-K179 WeakPolarHBondContact OD1-CE 3.48Å; D149-K179 IonicContact OD1-NZ 2.9Å; D149-K179 PolarHBondContact OD1-NZ 3.22Å; D149-K179 WeakPolarHBondContact OD2-CE 3.37Å; D149-K179 IonicContact OD2-NZ 2.68Å; D149-K179 PolarHBondContact OD2-NZ 3.47Å
150	H	92.3	Very high	90.3	Very high	22 Å²	22	50.1 Å²	50.1	10%	0.102	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.3	-178.8	-57.1	-56.9	0	0	0	110.7	V118 I121 K122 L180	V118-H150 VanDerWaalsContact CG1-CD2 3.47Å; V118-H150 WeakPolarHBondContact CG1-CD2 3.37Å; V118-H150 HydrophobicContact CG2-CB 4.24Å; I121-H150 HydrophobicContact CD1-CB 4.1Å; I121-H150 HydrophobicContact CG2-CB 4.44Å; K122-H150 WeakPolarHBondContact CE-NE2 3.49Å; H150-L180 HydrophobicContact CB-CD1 4.16Å; H150-L180 PolarHBondContact O-N 3.33Å
151	Y	93	Very high	90.4	Very high	56 Å²	56	50.3 Å²	50.3	22%	0.22	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135	-176.2	-59.9	-90.2	0	0	0	111	I121 G141 E142 D144 D149 K177 V178 K179	I121-Y151 WeakPolarHBondContact CD1-O 3.42Å; G141-Y151 CarbonylContact C-O 3.59Å; G141-Y151 WeakPolarHBondContact CA-O 3.41Å; E142-Y151 PolarHBondContact N-O 3.29Å; E142-Y151 PolarHBondContact O-N 2.87Å; D144-Y151 HydrophobicContact CB-CE2 4.04Å; D149-Y151 HydrophobicContact CB-CE2 3.86Å; Y151-K177 HydrophobicContact CD1-CB 4.34Å; Y151-V178 WeakPolarHBondContact CA-O 3.29Å; Y151-K179 HydrophobicContact CD1-CB 3.94Å; Y151-K179 HydrophobicContact CE1-CB 3.73Å; Y151-K179 HydrophobicContact CE1-CD 4.5Å; Y151-K179 HydrophobicContact CE1-CG 4.2Å
152	L	93.7	Very high	90.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.8	175.3	-172.4	68.2	0	0	0	110.2	F117 V140 K177 V178 L180 I186 M188	F117-L152 HydrophobicContact CD1-CD1 3.77Å; F117-L152 HydrophobicContact CD2-CD2 4.21Å; F117-L152 HydrophobicContact CE1-CD1 3.93Å; F117-L152 HydrophobicContact CE1-CD2 4.29Å; F117-L152 HydrophobicContact CE2-CD2 3.94Å; F117-L152 HydrophobicContact CG-CD1 4.22Å; F117-L152 HydrophobicContact CG-CD2 4.48Å; F117-L152 HydrophobicContact CZ-CD1 4.46Å; F117-L152 HydrophobicContact CZ-CD2 4Å; V140-L152 HydrophobicContact CG1-CD1 3.76Å; V140-L152 WeakPolarHBondContact O-CD1 3.44Å; L152-K177 WeakPolarHBondContact O-CA 3.48Å; L152-V178 PolarHBondContact N-O 3Å; L152-V178 PolarHBondContact O-N 3.47Å; L152-L180 HydrophobicContact CB-CD2 3.96Å; L152-L180 HydrophobicContact CB-CG 4.38Å; L152-L180 HydrophobicContact CD2-CD2 4.29Å; L152-I186 HydrophobicContact CD2-CD1 4.26Å; L152-M188 HydrophobicContact CD2-CE 3.36Å; L152-M188 HydrophobicContact CG-CE 4.12Å
153	W	94.4	Very high	90.7	Very high	43 Å²	43	50 Å²	50	16%	0.163	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.5	170.7	-63.5	115.5	0	0	0	110.1	V140 G141 K177	V140-W153 PolarHBondContact O-N 3.16Å; G141-W153 VanDerWaalsContact CA-CD1 3.41Å; W153-K177 HydrophobicContact CD2-CG 4.26Å; W153-K177 HydrophobicContact CE3-CG 3.59Å; W153-K177 HydrophobicContact CH2-CD 3.87Å; W153-K177 HydrophobicContact CH2-CG 3.58Å; W153-K177 HydrophobicContact CZ2-CD 4.31Å; W153-K177 HydrophobicContact CZ2-CG 4.14Å; W153-K177 HydrophobicContact CZ3-CB 4.47Å; W153-K177 HydrophobicContact CZ3-CD 4.05Å; W153-K177 HydrophobicContact CZ3-CG 3.24Å
154	T	93.6	Very high	90.8	Very high	14 Å²	14	50.2 Å²	50.2	9%	0.086	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-14	-170.1	59.2	0	0	0	0	114.3	E175 G176 V178 I186 M188 S189	T154-E175 PolarHBondContact N-O 3.01Å; T154-G176 PolarHBondContact N-O 2.84Å; T154-G176 PolarHBondContact OG1-O 2.81Å; T154-V178 HydrophobicContact CG2-CB 3.91Å; T154-V178 HydrophobicContact CG2-CG2 3.63Å; T154-I186 HydrophobicContact CG2-CG2 3.34Å; T154-M188 HydrophobicContact CG2-CE 4.16Å; T154-M188 HydrophobicContact CG2-SD 4.19Å; T154-S189 PolarHBondContact O-N 3.39Å
155	Y	94.8	Very high	91.1	Very high	30 Å²	30	50.8 Å²	50.8	12%	0.118	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.1	-179.6	176.1	-137.1	0	0	0	110.9	Q101 K157 S174 E175 S189 S191	Q101-Y155 HydrophobicContact CB-CE2 4.21Å; Q101-Y155 HydrophobicContact CG-CD2 4.15Å; Q101-Y155 HydrophobicContact CG-CE2 3.72Å; Y155-K157 HydrophobicContact CE1-CB 4.31Å; Y155-S174 WeakPolarHBondContact O-CA 3.44Å; Y155-E175 WeakPolarHBondContact CB-O 3.47Å; Y155-E175 HydrophobicContact CD1-CB 3.58Å; Y155-E175 HydrophobicContact CE1-CB 4.37Å; Y155-E175 WeakPolarHBondContact CE1-OE2 3.46Å; Y155-E175 HydrophobicContact CG-CB 4.36Å; Y155-E175 PolarHBondContact N-O 3.16Å; Y155-E175 PolarHBondContact O-N 3.29Å; Y155-S189 WeakPolarHBondContact CA-O 3.46Å; Y155-S191 WeakPolarHBondContact OH-CB 3.41Å; Y155-S191 PolarHBondContact OH-OG 2.96Å
156	K	94.4	Very high	91.7	Very high	10 Å²	10	46.3 Å²	46.3	4%	0.043	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.9	176.1	-64	177.9	-168.5	-72.1	0	109.7	Y57 Y127 L172 S189 Y190 S191	Y57-K156 PolarHBondContact OH-NZ 3.09Å; Y127-K156 PolarHBondContact OH-NZ 3.16Å; K156-L172 HydrophobicContact CB-CD1 3.91Å; K156-L172 HydrophobicContact CG-CD1 4.31Å; K156-S189 PolarHBondContact N-O 3.28Å; K156-Y190 CarbonylContact O-C 3.59Å; K156-Y190 WeakPolarHBondContact O-CA 3.31Å; K156-S191 PolarHBondContact O-N 2.88Å
157	K	95.3	Very high	92.4	Very high	38 Å²	38	40 Å²	40	17%	0.165	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.5	174.2	-179	-177.3	173.4	-148.6	0	109.1	Y155 E159 T173	Y155-K157 HydrophobicContact CE1-CB 4.31Å; K157-E159 WeakPolarHBondContact CE-OE1 3.36Å; K157-E159 IonicContact NZ-OE1 2.65Å; K157-E159 PolarHBondContact NZ-OE1 3.19Å; K157-T173 PolarHBondContact N-O 3.43Å; K157-T173 PolarHBondContact O-N 3.18Å
158	L	95.7	Very high	93.2	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.2	177.8	-66.6	167.3	0	0	0	109.2	L40 I93 I136 N171 L172 S191 V192 K193	L40-L158 HydrophobicContact CD2-CD1 4.28Å; I93-L158 HydrophobicContact CD1-CD1 4.05Å; I136-L158 HydrophobicContact CD1-CD2 4.48Å; L158-N171 WeakPolarHBondContact CA-O 3.42Å; L158-L172 HydrophobicContact CD2-CB 4.34Å; L158-L172 HydrophobicContact CD2-CD1 3.76Å; L158-L172 HydrophobicContact CG-CD1 4.4Å; L158-S191 PolarHBondContact N-O 2.72Å; L158-V192 HydrophobicContact CB-CG2 4.43Å; L158-V192 HydrophobicContact CD1-CG2 4.38Å; L158-V192 CarbonylContact O-C 3.48Å; L158-V192 WeakPolarHBondContact O-CA 3.37Å; L158-K193 PolarHBondContact O-N 3.42Å
159	E	95.3	Very high	93.8	Very high	58 Å²	58	32.3 Å²	32.3	27%	0.271	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	109.9	171.3	-61.2	-173.4	170.9	0	0	108.4	K157 N171 K193	K157-E159 WeakPolarHBondContact CE-OE1 3.36Å; K157-E159 IonicContact NZ-OE1 2.65Å; K157-E159 PolarHBondContact NZ-OE1 3.19Å; E159-N171 HydrophobicContact CB-CB 4.25Å; E159-N171 PolarHBondContact N-O 3.33Å; E159-N171 PolarHBondContact O-N 3.07Å; E159-K193 CarbonylContact C-O 3.49Å; E159-K193 WeakPolarHBondContact CA-O 3.4Å; E159-K193 HydrophobicContact CG-CB 4.43Å
160	I	95.8	Very high	94	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.3	-175	-52.3	175.8	0	0	0	109.1	I93 I131 I167 D169 V170 V192 K193 W194 K195	I93-I160 HydrophobicContact CG2-CD1 4.22Å; I131-I160 HydrophobicContact CD1-CD1 4.04Å; I160-I167 HydrophobicContact CG2-CD1 4.43Å; I160-I167 HydrophobicContact CG2-CG1 4.35Å; I160-I167 HydrophobicContact CG2-CG2 3.67Å; I160-D169 CarbonylContact C-O 3.56Å; I160-V170 HydrophobicContact CG1-CG1 4.45Å; I160-V170 HydrophobicContact CG2-CG2 4.33Å; I160-V192 HydrophobicContact CD1-CG1 3.75Å; I160-V192 HydrophobicContact CG1-CG1 4.3Å; I160-K193 PolarHBondContact N-O 3.22Å; I160-W194 HydrophobicContact CB-CD2 4.18Å; I160-W194 HydrophobicContact CB-CE3 3.8Å; I160-W194 HydrophobicContact CB-CH2 4.1Å; I160-W194 HydrophobicContact CB-CZ2 4.45Å; I160-W194 HydrophobicContact CB-CZ3 3.78Å; I160-W194 HydrophobicContact CD1-CH2 3.93Å; I160-W194 HydrophobicContact CD1-CZ2 3.82Å; I160-W194 HydrophobicContact CD1-CZ3 4.49Å; I160-W194 HydrophobicContact CG2-CE3 3.72Å; I160-W194 HydrophobicContact CG2-CH2 3.61Å; I160-W194 HydrophobicContact CG2-CZ2 4.42Å; I160-W194 HydrophobicContact CG2-CZ3 3.22Å; I160-W194 CarbonylContact O-C 3.58Å; I160-W194 WeakPolarHBondContact O-CA 3.19Å; I160-K195 PolarHBondContact O-N 3.41Å
161	G	95	Very high	94	Very high	5 Å²	5	32 Å²	32	5%	0.052	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	130.4	174.7	0	0	0	0	0	111.2	V168 D169 K195	G161-V168 PolarHBondContact O-N 3.02Å; G161-D169 PolarHBondContact N-O 2.95Å; G161-D169 PolarHBondContact O-N 3.31Å; G161-K195 CarbonylContact C-O 3.59Å; G161-K195 VanDerWaalsContact CA-O 3.25Å; G161-K195 WeakPolarHBondContact CA-O 3.38Å
162	F	95.1	Very high	94.1	Very high	35 Å²	35	30.8 Å²	30.8	15%	0.154	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.6	175.3	72.6	-84.6	0	0	0	112.1	F95 K96 R166 W194 K195 K196 S197	F95-F162 HydrophobicContact CE2-CB 4.06Å; F95-F162 HydrophobicContact CZ-CB 4.18Å; K96-F162 HydrophobicContact CD-CD2 4.43Å; K96-F162 HydrophobicContact CD-CE2 4.11Å; K96-F162 HydrophobicContact CD-CZ 4.41Å; K96-F162 HydrophobicContact CG-CD2 4.38Å; K96-F162 HydrophobicContact CG-CE1 4.46Å; K96-F162 HydrophobicContact CG-CE2 4.29Å; K96-F162 HydrophobicContact CG-CZ 4.32Å; F162-R166 VanDerWaalsContact CA-O 3.28Å; F162-R166 WeakPolarHBondContact CA-O 3.46Å; F162-R166 WeakPolarHBondContact CB-O 3.41Å; F162-W194 HydrophobicContact CB-CE3 4.26Å; F162-W194 HydrophobicContact CB-CZ3 4.36Å; F162-W194 HydrophobicContact CD1-CB 4.2Å; F162-W194 AromaticContact CD1-CE3 3.95Å; F162-W194 HydrophobicContact CD1-CE3 3.95Å; F162-W194 HydrophobicContact CE1-CB 4.08Å; F162-W194 HydrophobicContact CG-CE3 4.44Å; F162-K195 WeakPolarHBondContact CD1-O 3.32Å; F162-K195 PolarHBondContact N-O 3.24Å; F162-K196 HydrophobicContact CE1-CB 4.31Å; F162-K196 HydrophobicContact CZ-CB 4.06Å; F162-S197 PolarHBondContact O-N 3.49Å
163	N	94.7	Very high	94.1	Very high	58 Å²	58	33.4 Å²	33.4	31%	0.31	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	111.7	170.1	-171.9	-3.6	0	0	0	109.1	N165 R166 V168 V199	N163-N165 PolarHBondContact O-N 2.82Å; N163-R166 PolarHBondContact N-O 3.2Å; N163-R166 PolarHBondContact O-N 3.41Å; N163-V168 HydrophobicContact CB-CG1 3.88Å; N163-V168 HydrophobicContact CB-CG2 4.21Å; N163-V199 WeakPolarHBondContact CB-O 3.48Å; N163-V199 PolarHBondContact ND2-O 3.24Å
164	G	91.9	Very high	93.9	Very high	41 Å²	41	32.6 Å²	32.6	42%	0.423	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	-114.5	-171.9	0	0	0	0	0	111.9	K96	K96-G164 VanDerWaalsContact CE-O 3.31Å; K96-G164 WeakPolarHBondContact CE-O 3.4Å; K96-G164 PolarHBondContact NZ-O 3.06Å
165	N	92.6	Very high	93.8	Very high	81 Å²	81	35.7 Å²	35.7	43%	0.433	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	18.3	-179.2	-70.9	2.5	0	0	0	112.4	T31 Y32 N163	T31-N165 WeakPolarHBondContact CA-O 3.25Å; T31-N165 HydrophobicContact CG2-CB 4.07Å; Y32-N165 PolarHBondContact N-O 3.07Å; Y32-N165 WeakPolarHBondContact O-CB 3.31Å; N163-N165 PolarHBondContact O-N 2.82Å
166	R	93.1	Very high	93.4	Very high	98 Å²	98	36 Å²	36	37%	0.37	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.9	-177.1	-54.8	-161.2	172.8	165	-4	112.1	H30 T31 F162 N163 F201	H30-R166 WeakPolarHBondContact O-CD 3.39Å; H30-R166 WeakPolarHBondContact O-CG 3.35Å; T31-R166 PolarHBondContact OG1-NE 3.04Å; F162-R166 VanDerWaalsContact CA-O 3.28Å; F162-R166 WeakPolarHBondContact CA-O 3.46Å; F162-R166 WeakPolarHBondContact CB-O 3.41Å; N163-R166 PolarHBondContact N-O 3.2Å; N163-R166 PolarHBondContact O-N 3.41Å; R166-F201 HydrophobicContact CB-CD2 3.78Å; R166-F201 HydrophobicContact CB-CE2 4.27Å; R166-F201 HydrophobicContact CG-CD2 4.22Å
167	I	92.9	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133	172.4	-58.9	175.7	0	0	0	108.3	Y32 V38 F95 I131 D132 L134 I160 V170 W194	Y32-I167 HydrophobicContact CD2-CD1 4.14Å; Y32-I167 HydrophobicContact CD2-CG1 4.02Å; Y32-I167 HydrophobicContact CE2-CB 4.45Å; Y32-I167 HydrophobicContact CE2-CD1 3.59Å; Y32-I167 HydrophobicContact CE2-CG1 3.75Å; V38-I167 HydrophobicContact CG1-CD1 3.73Å; V38-I167 HydrophobicContact CG2-CD1 4.2Å; F95-I167 HydrophobicContact CD2-CG1 4.25Å; F95-I167 HydrophobicContact CE2-CG1 3.98Å; I131-I167 HydrophobicContact CG2-CD1 3.98Å; D132-I167 HydrophobicContact CB-CB 4.23Å; D132-I167 HydrophobicContact CB-CD1 4.15Å; L134-I167 HydrophobicContact CD1-CG2 3.99Å; I160-I167 HydrophobicContact CG2-CD1 4.43Å; I160-I167 HydrophobicContact CG2-CG1 4.35Å; I160-I167 HydrophobicContact CG2-CG2 3.67Å; I167-V170 HydrophobicContact CG2-CG2 4.16Å; I167-W194 HydrophobicContact CD1-CH2 4.04Å; I167-W194 HydrophobicContact CD1-CZ3 4.38Å; I167-W194 HydrophobicContact CG1-CH2 4.28Å; I167-W194 HydrophobicContact CG1-CZ3 4.13Å
168	V	93.4	Very high	93.1	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	-14.9	-173.9	-61.3	0	0	0	0	114	G161 N163 V199 R204	G161-V168 PolarHBondContact O-N 3.02Å; N163-V168 HydrophobicContact CB-CG1 3.88Å; N163-V168 HydrophobicContact CB-CG2 4.21Å; V168-V199 HydrophobicContact CG2-CB 4.35Å; V168-R204 HydrophobicContact CB-CB 4.34Å; V168-R204 WeakPolarHBondContact O-CB 3.22Å
169	D	93	Very high	92.9	Very high	36 Å²	36	45.1 Å²	45.1	19%	0.193	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	148.2	175.5	-174.5	28.5	0	0	0	110.2	I160 G161 N171 K207	I160-D169 CarbonylContact C-O 3.56Å; G161-D169 PolarHBondContact N-O 2.95Å; G161-D169 PolarHBondContact O-N 3.31Å; D169-N171 PolarHBondContact OD2-ND2 3.31Å; D169-K207 WeakPolarHBondContact OD1-CD 3.37Å; D169-K207 WeakPolarHBondContact OD1-CE 3.45Å; D169-K207 IonicContact OD1-NZ 3.84Å; D169-K207 PolarHBondContact OD1-NZ 3.06Å; D169-K207 IonicContact OD2-NZ 3.67Å
170	V	93.3	Very high	92.6	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	128	169.5	-172.4	0	0	0	0	109.6	I131 L134 I136 I160 I167 K207	I131-V170 HydrophobicContact CB-CG2 4.2Å; I131-V170 HydrophobicContact CD1-CG1 4.23Å; I131-V170 HydrophobicContact CG2-CG2 4.31Å; L134-V170 HydrophobicContact CB-CG2 4.36Å; L134-V170 HydrophobicContact CD1-CG2 3.91Å; I136-V170 HydrophobicContact CD1-CB 4.24Å; I136-V170 HydrophobicContact CD1-CG1 3.47Å; I136-V170 VanDerWaalsContact CD1-CG1 3.47Å; I136-V170 HydrophobicContact CG1-CB 4.25Å; I136-V170 HydrophobicContact CG1-CG1 3.87Å; I160-V170 HydrophobicContact CG1-CG1 4.45Å; I160-V170 HydrophobicContact CG2-CG2 4.33Å; I167-V170 HydrophobicContact CG2-CG2 4.16Å; V170-K207 PolarHBondContact O-NZ 3.48Å
171	N	93.8	Very high	92.2	Very high	58 Å²	58	46.2 Å²	46.2	31%	0.31	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.6	171.4	-71.7	-59.8	0	0	0	110.2	L158 E159 D169 K207	L158-N171 WeakPolarHBondContact CA-O 3.42Å; E159-N171 HydrophobicContact CB-CB 4.25Å; E159-N171 PolarHBondContact N-O 3.33Å; E159-N171 PolarHBondContact O-N 3.07Å; D169-N171 PolarHBondContact OD2-ND2 3.31Å; N171-K207 WeakPolarHBondContact OD1-CE 3.35Å; N171-K207 PolarHBondContact OD1-NZ 3.5Å
172	L	93.8	Very high	91.7	Very high	31 Å²	31	48.7 Å²	48.7	16%	0.162	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.3	172.4	173.3	69.8	0	0	0	109.3	Y127 M129 I136 K156 L158	Y127-L172 HydrophobicContact CE2-CD2 3.98Å; M129-L172 HydrophobicContact CE-CD1 4.42Å; M129-L172 HydrophobicContact CE-CD2 3.69Å; I136-L172 HydrophobicContact CG2-CB 3.46Å; I136-L172 VanDerWaalsContact CG2-CB 3.46Å; I136-L172 HydrophobicContact CG2-CD2 3.75Å; I136-L172 HydrophobicContact CG2-CG 4.22Å; K156-L172 HydrophobicContact CB-CD1 3.91Å; K156-L172 HydrophobicContact CG-CD1 4.31Å; L158-L172 HydrophobicContact CD2-CB 4.34Å; L158-L172 HydrophobicContact CD2-CD1 3.76Å; L158-L172 HydrophobicContact CG-CD1 4.4Å
173	T	93.7	Very high	91.2	Very high	55 Å²	55	54.1 Å²	54.1	34%	0.337	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.7	166.3	-49.1	0	0	0	0	108.5	K157 E175	K157-T173 PolarHBondContact N-O 3.43Å; K157-T173 PolarHBondContact O-N 3.18Å; T173-E175 HydrophobicContact CG2-CG 4.06Å
174	S	90.8	Very high	90.9	Very high	26 Å²	26	53.5 Å²	53.5	18%	0.182	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.6	175.1	-62.5	0	0	0	0	109.5	Y127 Y155	Y127-S174 PolarHBondContact OH-OG 2.87Å; Y155-S174 WeakPolarHBondContact O-CA 3.44Å
175	E	90.5	Very high	90.8	Very high	79 Å²	79	59.6 Å²	59.6	37%	0.369	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	177.3	-175	-75.8	177.5	-159	0	0	110.5	T154 Y155 T173	T154-E175 PolarHBondContact N-O 3.01Å; Y155-E175 WeakPolarHBondContact CB-O 3.47Å; Y155-E175 HydrophobicContact CD1-CB 3.58Å; Y155-E175 HydrophobicContact CE1-CB 4.37Å; Y155-E175 WeakPolarHBondContact CE1-OE2 3.46Å; Y155-E175 HydrophobicContact CG-CB 4.36Å; Y155-E175 PolarHBondContact N-O 3.16Å; Y155-E175 PolarHBondContact O-N 3.29Å; T173-E175 HydrophobicContact CG2-CG 4.06Å
176	G	87.3	Confident	90.8	Very high	37 Å²	37	55.9 Å²	55.9	38%	0.381	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71	73.6	177.3	0	0	0	0	0	113.2	T154 V178	T154-G176 PolarHBondContact N-O 2.84Å; T154-G176 PolarHBondContact OG1-O 2.81Å; G176-V178 PolarHBondContact O-N 3.22Å
177	K	90.3	Very high	90.8	Very high	103 Å²	103	53.2 Å²	53.2	45%	0.448	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	121.7	174.1	-65.8	-172.1	178.1	-173.8	0	110.3	E142 Y151 L152 W153	E142-K177 VanDerWaalsContact OE2-CE 3.31Å; E142-K177 WeakPolarHBondContact OE2-CE 2.97Å; E142-K177 IonicContact OE2-NZ 2.76Å; E142-K177 PolarHBondContact OE2-NZ 2.94Å; Y151-K177 HydrophobicContact CD1-CB 4.34Å; L152-K177 WeakPolarHBondContact O-CA 3.48Å; W153-K177 HydrophobicContact CD2-CG 4.26Å; W153-K177 HydrophobicContact CE3-CG 3.59Å; W153-K177 HydrophobicContact CH2-CD 3.87Å; W153-K177 HydrophobicContact CH2-CG 3.58Å; W153-K177 HydrophobicContact CZ2-CD 4.31Å; W153-K177 HydrophobicContact CZ2-CG 4.14Å; W153-K177 HydrophobicContact CZ3-CB 4.47Å; W153-K177 HydrophobicContact CZ3-CD 4.05Å; W153-K177 HydrophobicContact CZ3-CG 3.24Å
178	V	92.1	Very high	90.9	Very high	52 Å²	52	53.2 Å²	53.2	32%	0.315	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128	173.5	179.6	0	0	0	0	109.6	Y151 L152 T154 G176 I186	Y151-V178 WeakPolarHBondContact CA-O 3.29Å; L152-V178 PolarHBondContact N-O 3Å; L152-V178 PolarHBondContact O-N 3.47Å; T154-V178 HydrophobicContact CG2-CB 3.91Å; T154-V178 HydrophobicContact CG2-CG2 3.63Å; G176-V178 PolarHBondContact O-N 3.22Å; V178-I186 HydrophobicContact CG1-CD1 4.24Å; V178-I186 HydrophobicContact CG1-CG1 4.25Å; V178-I186 HydrophobicContact CG1-CG2 4.49Å
179	K	91.5	Very high	91	Very high	87 Å²	87	53.7 Å²	53.7	38%	0.378	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	132.9	178.8	-174.2	172	173.9	163.1	0	110.4	D149 Y151 V181	D149-K179 WeakPolarHBondContact OD1-CE 3.48Å; D149-K179 IonicContact OD1-NZ 2.9Å; D149-K179 PolarHBondContact OD1-NZ 3.22Å; D149-K179 WeakPolarHBondContact OD2-CE 3.37Å; D149-K179 IonicContact OD2-NZ 2.68Å; D149-K179 PolarHBondContact OD2-NZ 3.47Å; Y151-K179 HydrophobicContact CD1-CB 3.94Å; Y151-K179 HydrophobicContact CE1-CB 3.73Å; Y151-K179 HydrophobicContact CE1-CD 4.5Å; Y151-K179 HydrophobicContact CE1-CG 4.2Å; K179-V181 HydrophobicContact CB-CG2 4.47Å; K179-V181 HydrophobicContact CD-CG2 4.32Å; K179-V181 HydrophobicContact CG-CG2 4.04Å; K179-V181 PolarHBondContact O-N 3Å
180	L	90.6	Very high	91.1	Very high	17 Å²	17	52.8 Å²	52.8	9%	0.089	29%	0.285	C	S	.	.			trans	-78.1	91.3	179.9	-68.2	175.7	0	0	0	111.4	L109 R114 F117 V118 I121 H150 L152 I186	L109-L180 HydrophobicContact CD1-CD2 4.01Å; L109-L180 HydrophobicContact CD2-CD2 4.14Å; R114-L180 HydrophobicContact CG-CB 4.27Å; F117-L180 HydrophobicContact CB-CD1 3.68Å; F117-L180 HydrophobicContact CB-CD2 4.38Å; F117-L180 HydrophobicContact CD2-CD2 4.38Å; V118-L180 HydrophobicContact CG2-CD1 3.91Å; I121-L180 HydrophobicContact CD1-CD1 3.63Å; H150-L180 HydrophobicContact CB-CD1 4.16Å; H150-L180 PolarHBondContact O-N 3.33Å; L152-L180 HydrophobicContact CB-CD2 3.96Å; L152-L180 HydrophobicContact CB-CG 4.38Å; L152-L180 HydrophobicContact CD2-CD2 4.29Å; L180-I186 HydrophobicContact CD2-CD1 3.91Å
181	V	87.8	Confident	91.2	Very high	64 Å²	64	52.7 Å²	52.7	39%	0.388	29%	0.285	S	S	.	.			trans	-108.3	135.2	176	-177.3	0	0	0	0	109.5	L109 K179 T184	L109-V181 VanDerWaalsContact CD2-O 3.29Å; L109-V181 WeakPolarHBondContact CD2-O 3.14Å; K179-V181 HydrophobicContact CB-CG2 4.47Å; K179-V181 HydrophobicContact CD-CG2 4.32Å; K179-V181 HydrophobicContact CG-CG2 4.04Å; K179-V181 PolarHBondContact O-N 3Å; V181-T184 HydrophobicContact CB-CG2 3.8Å; V181-T184 HydrophobicContact CG1-CG2 4.1Å; V181-T184 WeakPolarHBondContact O-CG2 3.24Å; V181-T184 PolarHBondContact O-OG1 3.29Å
182	P	82.8	Confident	91.3	Very high	56 Å²	56	50 Å²	50	36%	0.364	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	147.1	179	24.7	-34.6	0	0	0	112.4	T184	P182-T184 VanDerWaalsContact C-N 3.26Å; P182-T184 PolarHBondContact O-N 3.48Å
183	N	84.9	Confident	91.4	Very high	149 Å²	149	53.2 Å²	53.2	80%	0.797	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	29.3	179.3	-54.3	-33.7	0	0	0	114.1	L109	L109-N183 PolarHBondContact O-N 3.34Å
184	T	88.5	Confident	91.5	Very high	46 Å²	46	51.7 Å²	51.7	28%	0.282	27%	0.271	S	S	.	.			trans	-101.7	152.8	171.9	58.1	0	0	0	0	111	L109 V181 P182	L109-T184 VanDerWaalsContact CB-O 3.26Å; L109-T184 WeakPolarHBondContact CB-O 3.47Å; L109-T184 PolarHBondContact N-O 2.8Å; V181-T184 HydrophobicContact CB-CG2 3.8Å; V181-T184 HydrophobicContact CG1-CG2 4.1Å; V181-T184 WeakPolarHBondContact O-CG2 3.24Å; V181-T184 PolarHBondContact O-OG1 3.29Å; P182-T184 VanDerWaalsContact C-N 3.26Å; P182-T184 PolarHBondContact O-N 3.48Å
185	R	91.1	Very high	91.8	Very high	169 Å²	169	57.4 Å²	57.4	64%	0.638	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.9	169.9	-66.5	-169.5	173.3	168.7	-0.7	108.9	I107 E108	I107-R185 WeakPolarHBondContact O-CA 3.45Å; E108-R185 HydrophobicContact CG-CG 4.24Å; E108-R185 IonicContact OE1-CZ 2.7Å; E108-R185 IonicContact OE1-NE 2.72Å; E108-R185 PolarHBondContact OE1-NE 2.84Å; E108-R185 IonicContact OE1-NH2 3.65Å; E108-R185 PolarHBondContact OE1-NH2 2.93Å
186	I	92.2	Very high	92	Very high	3 Å²	3	61 Å²	61	2%	0.015	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.9	179.1	-57.5	-173.8	0	0	0	108.5	E106 I107 L109 L152 T154 V178 L180 M188	E106-I186 WeakPolarHBondContact CA-O 3.4Å; I107-I186 PolarHBondContact N-O 3.38Å; I107-I186 PolarHBondContact O-N 2.77Å; L109-I186 HydrophobicContact CD1-CD1 3.82Å; L152-I186 HydrophobicContact CD2-CD1 4.26Å; T154-I186 HydrophobicContact CG2-CG2 3.34Å; V178-I186 HydrophobicContact CG1-CD1 4.24Å; V178-I186 HydrophobicContact CG1-CG1 4.25Å; V178-I186 HydrophobicContact CG1-CG2 4.49Å; L180-I186 HydrophobicContact CD2-CD1 3.91Å; I186-M188 HydrophobicContact CG2-CE 4.13Å
187	A	93.4	Very high	92.3	Very high	41 Å²	41	60.3 Å²	60.3	34%	0.339	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.7	174.7	0	0	0	0	0	110.2	T103 E106	T103-A187 HydrophobicContact CG2-CB 3.85Å; E106-A187 HydrophobicContact CG-CB 4.33Å
188	M	94.3	Very high	92.4	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.8	175	-69.3	-67.1	176.1	0	0	109.8	F62 T103 Y104 C105 I107 L152 T154 I186	F62-M188 HydrophobicContact CD1-CE 4.42Å; F62-M188 HydrophobicContact CE1-CE 4.43Å; T103-M188 CarbonylContact C-O 3.54Å; T103-M188 WeakPolarHBondContact CA-O 3.32Å; T103-M188 WeakPolarHBondContact CG2-O 3.45Å; Y104-M188 HydrophobicContact CD1-CB 4.22Å; Y104-M188 WeakPolarHBondContact CD1-O 3.31Å; Y104-M188 HydrophobicContact CE1-CB 3.53Å; Y104-M188 HydrophobicContact CE2-CB 4.1Å; Y104-M188 VanDerWaalsContact CZ-CB 3.46Å; Y104-M188 PolarHBondContact N-O 2.72Å; C105-M188 PolarHBondContact O-N 3.41Å; I107-M188 HydrophobicContact CD1-CE 3.52Å; I107-M188 HydrophobicContact CD1-CG 3.71Å; I107-M188 HydrophobicContact CD1-SD 4.45Å; I107-M188 HydrophobicContact CG1-CG 4.26Å; L152-M188 HydrophobicContact CD2-CE 3.36Å; L152-M188 HydrophobicContact CG-CE 4.12Å; T154-M188 HydrophobicContact CG2-CE 4.16Å; T154-M188 HydrophobicContact CG2-SD 4.19Å; I186-M188 HydrophobicContact CG2-CE 4.13Å
189	S	94.8	Very high	92.4	Very high	12 Å²	12	62.9 Å²	62.9	8%	0.084	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153	-175.4	-59.9	0	0	0	0	112	T102 T103 T154 Y155 K156	T102-S189 VanDerWaalsContact O-CA 3.25Å; T102-S189 WeakPolarHBondContact O-CA 3.3Å; T103-S189 PolarHBondContact OG1-OG 3.47Å; T154-S189 PolarHBondContact O-N 3.39Å; Y155-S189 WeakPolarHBondContact CA-O 3.46Å; K156-S189 PolarHBondContact N-O 3.28Å
190	Y	95.2	Very high	92.4	Very high	18 Å²	18	65 Å²	65	7%	0.071	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	159.9	171.4	79.5	-64.7	0	0	0	111.5	L91 D92 I93 V99 Q101 T102 Y104 K156 V192	L91-Y190 HydrophobicContact CB-CE2 4.06Å; L91-Y190 HydrophobicContact CD1-CD2 3.87Å; L91-Y190 HydrophobicContact CD1-CE2 4.24Å; L91-Y190 HydrophobicContact CD1-CG 4.04Å; L91-Y190 HydrophobicContact CD2-CD1 3.98Å; L91-Y190 HydrophobicContact CD2-CE1 3.96Å; L91-Y190 HydrophobicContact CD2-CE2 4.5Å; L91-Y190 HydrophobicContact CD2-CG 4.27Å; L91-Y190 HydrophobicContact CG-CE2 4.5Å; D92-Y190 PolarHBondContact N-OH 3.43Å; D92-Y190 PolarHBondContact O-OH 3.12Å; I93-Y190 HydrophobicContact CG1-CE2 4.39Å; V99-Y190 HydrophobicContact CG1-CE2 4.03Å; Q101-Y190 WeakPolarHBondContact CA-O 2.89Å; T102-Y190 PolarHBondContact N-O 2.91Å; T102-Y190 PolarHBondContact O-N 3.23Å; T102-Y190 WeakPolarHBondContact OG1-CE1 3.49Å; Y104-Y190 AromaticContact CD1-CD1 3.7Å; Y104-Y190 HydrophobicContact CD1-CD1 3.7Å; Y104-Y190 HydrophobicContact CD1-CE1 4.49Å; Y104-Y190 HydrophobicContact CD1-CG 4.39Å; Y104-Y190 HydrophobicContact CG-CD1 4.19Å; K156-Y190 CarbonylContact O-C 3.59Å; K156-Y190 WeakPolarHBondContact O-CA 3.31Å; Y190-V192 HydrophobicContact CD2-CG2 4.02Å; Y190-V192 HydrophobicContact CE2-CG2 4.04Å
191	S	95.8	Very high	92.2	Very high	3 Å²	3	66.4 Å²	66.4	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	152.9	167.6	65.1	0	0	0	0	109.8	V99 Y155 K156 L158	V99-S191 VanDerWaalsContact O-CA 3.3Å; V99-S191 WeakPolarHBondContact O-CA 3.48Å; V99-S191 VanDerWaalsContact O-CB 3.31Å; V99-S191 WeakPolarHBondContact O-CB 2.8Å; Y155-S191 WeakPolarHBondContact OH-CB 3.41Å; Y155-S191 PolarHBondContact OH-OG 2.96Å; K156-S191 PolarHBondContact O-N 2.88Å; L158-S191 PolarHBondContact N-O 2.72Å
192	V	96.4	Very high	92.2	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.8	178.6	-175.4	0	0	0	0	108.5	I93 E98 V99 L158 I160 Y190	I93-V192 HydrophobicContact CD1-CG2 4.33Å; I93-V192 HydrophobicContact CG1-CG2 4.11Å; I93-V192 HydrophobicContact CG2-CG1 4.21Å; I93-V192 HydrophobicContact CG2-CG2 4.28Å; E98-V192 WeakPolarHBondContact CA-O 3.18Å; V99-V192 HydrophobicContact CB-CB 4Å; V99-V192 HydrophobicContact CB-CG2 4.15Å; V99-V192 HydrophobicContact CG2-CB 4.21Å; V99-V192 HydrophobicContact CG2-CG2 4.29Å; V99-V192 PolarHBondContact N-O 2.81Å; V99-V192 PolarHBondContact O-N 3.39Å; L158-V192 HydrophobicContact CB-CG2 4.43Å; L158-V192 HydrophobicContact CD1-CG2 4.38Å; L158-V192 CarbonylContact O-C 3.48Å; L158-V192 WeakPolarHBondContact O-CA 3.37Å; I160-V192 HydrophobicContact CD1-CG1 3.75Å; I160-V192 HydrophobicContact CG1-CG1 4.3Å; Y190-V192 HydrophobicContact CD2-CG2 4.02Å; Y190-V192 HydrophobicContact CE2-CG2 4.04Å
193	K	96.3	Very high	92.4	Very high	99 Å²	99	71.3 Å²	71.3	43%	0.43	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.4	172.9	-65.5	-166.7	175.8	-165.6	0	109.8	L158 E159 I160	L158-K193 PolarHBondContact O-N 3.42Å; E159-K193 CarbonylContact C-O 3.49Å; E159-K193 WeakPolarHBondContact CA-O 3.4Å; E159-K193 HydrophobicContact CG-CB 4.43Å; I160-K193 PolarHBondContact N-O 3.22Å
194	W	95.9	Very high	92.6	Very high	22 Å²	22	64.8 Å²	64.8	8%	0.083	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.1	176.7	-70.1	93.1	0	0	0	110.1	V38 I93 K94 F95 K96 D97 I160 F162 I167	V38-W194 HydrophobicContact CG2-CH2 4.14Å; V38-W194 HydrophobicContact CG2-CZ2 4.36Å; I93-W194 HydrophobicContact CG2-CZ2 4.32Å; K94-W194 VanDerWaalsContact O-CZ2 3.25Å; K94-W194 WeakPolarHBondContact O-CZ2 3.08Å; K94-W194 PolarHBondContact O-NE1 3.15Å; K94-W194 VanDerWaalsContact O-NE1 3.16Å; F95-W194 HydrophobicContact CD2-CE3 4.46Å; F95-W194 AromaticContact CD2-CH2 3.53Å; F95-W194 HydrophobicContact CD2-CH2 3.53Å; F95-W194 HydrophobicContact CD2-CZ2 4.36Å; F95-W194 AromaticContact CD2-CZ3 3.58Å; F95-W194 HydrophobicContact CD2-CZ3 3.58Å; F95-W194 HydrophobicContact CE2-CH2 4.17Å; F95-W194 AromaticContact CE2-CZ3 3.74Å; F95-W194 HydrophobicContact CE2-CZ3 3.74Å; F95-W194 HydrophobicContact CG-CH2 4.43Å; K96-W194 VanDerWaalsContact N-CE2 3.28Å; D97-W194 PolarHBondContact O-NE1 2.9Å; I160-W194 HydrophobicContact CB-CD2 4.18Å; I160-W194 HydrophobicContact CB-CE3 3.8Å; I160-W194 HydrophobicContact CB-CH2 4.1Å; I160-W194 HydrophobicContact CB-CZ2 4.45Å; I160-W194 HydrophobicContact CB-CZ3 3.78Å; I160-W194 HydrophobicContact CD1-CH2 3.93Å; I160-W194 HydrophobicContact CD1-CZ2 3.82Å; I160-W194 HydrophobicContact CD1-CZ3 4.49Å; I160-W194 HydrophobicContact CG2-CE3 3.72Å; I160-W194 HydrophobicContact CG2-CH2 3.61Å; I160-W194 HydrophobicContact CG2-CZ2 4.42Å; I160-W194 HydrophobicContact CG2-CZ3 3.22Å; I160-W194 CarbonylContact O-C 3.58Å; I160-W194 WeakPolarHBondContact O-CA 3.19Å; F162-W194 HydrophobicContact CB-CE3 4.26Å; F162-W194 HydrophobicContact CB-CZ3 4.36Å; F162-W194 HydrophobicContact CD1-CB 4.2Å; F162-W194 AromaticContact CD1-CE3 3.95Å; F162-W194 HydrophobicContact CD1-CE3 3.95Å; F162-W194 HydrophobicContact CE1-CB 4.08Å; F162-W194 HydrophobicContact CG-CE3 4.44Å; I167-W194 HydrophobicContact CD1-CH2 4.04Å; I167-W194 HydrophobicContact CD1-CZ3 4.38Å; I167-W194 HydrophobicContact CG1-CH2 4.28Å; I167-W194 HydrophobicContact CG1-CZ3 4.13Å
195	K	95.6	Very high	92.6	Very high	147 Å²	147	63 Å²	63	64%	0.639	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.9	178.6	-170.2	-179.9	175.9	-173.9	0	109.9	I160 G161 F162 S197	I160-K195 PolarHBondContact O-N 3.41Å; G161-K195 CarbonylContact C-O 3.59Å; G161-K195 VanDerWaalsContact CA-O 3.25Å; G161-K195 WeakPolarHBondContact CA-O 3.38Å; F162-K195 WeakPolarHBondContact CD1-O 3.32Å; F162-K195 PolarHBondContact N-O 3.24Å; K195-S197 PolarHBondContact O-N 3.06Å
196	K	95.1	Very high	92.3	Very high	153 Å²	153	58.8 Å²	58.8	67%	0.665	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	130.1	170.7	-171.6	176.7	177.6	-178.3	0	109.3	F162	F162-K196 HydrophobicContact CE1-CB 4.31Å; F162-K196 HydrophobicContact CZ-CB 4.06Å
197	S	93.7	Very high	92	Very high	24 Å²	24	63.4 Å²	63.4	17%	0.168	31%	0.309	C	S	.	.			trans	-121.5	146.5	178.9	-175.1	0	0	0	0	110.5	F162 K195 V199	F162-S197 PolarHBondContact O-N 3.49Å; K195-S197 PolarHBondContact O-N 3.06Å; S197-V199 VanDerWaalsContact C-N 3.35Å; S197-V199 WeakPolarHBondContact OG-CG2 3.42Å; S197-V199 PolarHBondContact OG-N 2.98Å
198	D	93.3	Very high	91.5	Very high	150 Å²	150	63.1 Å²	63.1	80%	0.802	30%	0.299	S	S	*	.			trans	-90.9	-2.1	175.1	-60.6	-43.7	0	0	0	112.4	K200	D198-K200 PolarHBondContact O-N 3.13Å
199	V	91.1	Very high	90.9	Very high	59 Å²	59	63.9 Å²	63.9	36%	0.358	30%	0.303	S	S	.	.			trans	-65	131.2	176.5	177.4	0	0	0	0	109.4	N163 V168 S197 D203	N163-V199 WeakPolarHBondContact CB-O 3.48Å; N163-V199 PolarHBondContact ND2-O 3.24Å; V168-V199 HydrophobicContact CG2-CB 4.35Å; S197-V199 VanDerWaalsContact C-N 3.35Å; S197-V199 WeakPolarHBondContact OG-CG2 3.42Å; S197-V199 PolarHBondContact OG-N 2.98Å; V199-D203 HydrophobicContact CG1-CB 4.24Å
200	K	91.1	Very high	90	Very high	130 Å²	130	65.5 Å²	65.5	57%	0.565	31%	0.311	S	S	*	.			trans	-74.1	155.6	175.4	-65	177.5	-179.4	175.2	0	110.1	D198 E202 D203 R204	D198-K200 PolarHBondContact O-N 3.13Å; K200-E202 VanDerWaalsContact C-N 3.26Å; K200-E202 PolarHBondContact O-N 2.82Å; K200-D203 PolarHBondContact O-N 3.3Å; K200-D203 VanDerWaalsContact O-N 3.15Å; K200-R204 PolarHBondContact O-N 3.41Å
201	F	87.9	Confident	89	Confident	47 Å²	47	68.8 Å²	68.8	21%	0.206	33%	0.334	C	S	.	.	S	Bend	trans	-58.6	-38.3	178.8	-176.1	-98.8	0	0	0	113.1	H30 R166 D203 R204	H30-F201 HydrophobicContact CB-CE1 4.49Å; H30-F201 HydrophobicContact CB-CE2 3.57Å; H30-F201 HydrophobicContact CB-CZ 3.38Å; H30-F201 AromaticContact CD2-CZ 3.7Å; H30-F201 AromaticContact CG-CZ 3.63Å; R166-F201 HydrophobicContact CB-CD2 3.78Å; R166-F201 HydrophobicContact CB-CE2 4.27Å; R166-F201 HydrophobicContact CG-CD2 4.22Å; F201-D203 VanDerWaalsContact C-N 3.31Å; F201-D203 PolarHBondContact O-N 3.46Å; F201-R204 VanDerWaalsContact CZ-CZ 3.46Å; F201-R204 WeakPolarHBondContact O-CB 3.39Å; F201-R204 WeakPolarHBondContact O-CD 3.49Å; F201-R204 WeakPolarHBondContact O-CG 3.12Å; F201-R204 PolarHBondContact O-N 3.27Å
202	E	86.1	Confident	87.8	Confident	156 Å²	156	72.6 Å²	72.6	73%	0.729	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-62.7	-36.9	178.1	-64.4	168.8	-174.1	0	0	112.1	K200 R204	K200-E202 VanDerWaalsContact C-N 3.26Å; K200-E202 PolarHBondContact O-N 2.82Å; E202-R204 VanDerWaalsContact C-N 3.31Å; E202-R204 PolarHBondContact O-N 2.94Å
203	D	87.1	Confident	86.7	Confident	68 Å²	68	74.3 Å²	74.3	36%	0.364	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-88.1	4.3	-175.7	-53.6	-37.8	0	0	0	112.7	V199 K200 F201 F205 D206	V199-D203 HydrophobicContact CG1-CB 4.24Å; K200-D203 PolarHBondContact O-N 3.3Å; K200-D203 VanDerWaalsContact O-N 3.15Å; F201-D203 VanDerWaalsContact C-N 3.31Å; F201-D203 PolarHBondContact O-N 3.46Å; D203-F205 PolarHBondContact O-N 3.48Å; D203-F205 VanDerWaalsContact O-N 3.14Å; D203-D206 WeakPolarHBondContact O-CB 3.29Å; D203-D206 PolarHBondContact O-N 2.6Å; D203-D206 VanDerWaalsContact O-N 3.08Å
204	R	89.4	Confident	85.4	Confident	12 Å²	12	69.6 Å²	69.6	5%	0.045	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-61.4	-27.6	-172.1	74.7	-176.6	-174.4	161.9	-1.8	113.7	H30 D132 L134 V168 K200 F201 E202	H30-R204 PolarHBondContact CE1-NH2 3.32Å; D132-R204 PolarHBondContact O-NH1 2.88Å; D132-R204 IonicContact OD2-NH1 2.63Å; D132-R204 PolarHBondContact OD2-NH1 3.02Å; L134-R204 HydrophobicContact CD2-CG 4.02Å; V168-R204 HydrophobicContact CB-CB 4.34Å; V168-R204 WeakPolarHBondContact O-CB 3.22Å; K200-R204 PolarHBondContact O-N 3.41Å; F201-R204 VanDerWaalsContact CZ-CZ 3.46Å; F201-R204 WeakPolarHBondContact O-CB 3.39Å; F201-R204 WeakPolarHBondContact O-CD 3.49Å; F201-R204 WeakPolarHBondContact O-CG 3.12Å; F201-R204 PolarHBondContact O-N 3.27Å; E202-R204 VanDerWaalsContact C-N 3.31Å; E202-R204 PolarHBondContact O-N 2.94Å
205	F	88	Confident	84.2	Confident	8 Å²	8	73.1 Å²	73.1	4%	0.035	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-85.6	-10.6	-179.9	-86	-90.9	0	0	0	114.1	L134 D203 K207 Y208 L209 Y315 T316	L134-F205 HydrophobicContact CD2-CD2 4.34Å; L134-F205 HydrophobicContact CD2-CE1 4.48Å; L134-F205 HydrophobicContact CD2-CE2 3.98Å; L134-F205 HydrophobicContact CD2-CZ 4.05Å; D203-F205 PolarHBondContact O-N 3.48Å; D203-F205 VanDerWaalsContact O-N 3.14Å; F205-K207 PolarHBondContact O-N 3.39Å; F205-K207 VanDerWaalsContact O-N 3.09Å; F205-Y208 AromaticContact CD1-CD2 3.81Å; F205-Y208 HydrophobicContact CD1-CD2 3.81Å; F205-Y208 HydrophobicContact CD1-CE2 4.39Å; F205-Y208 HydrophobicContact CE1-CD2 4.4Å; F205-Y208 HydrophobicContact CG-CD2 4.42Å; F205-Y208 WeakPolarHBondContact O-CB 3.43Å; F205-Y208 PolarHBondContact O-N 3.4Å; F205-L209 PolarHBondContact O-N 3.02Å; F205-Y315 HydrophobicContact CB-CD2 4.29Å; F205-Y315 HydrophobicContact CB-CE2 3.77Å; F205-Y315 HydrophobicContact CG-CE2 4.39Å; F205-T316 HydrophobicContact CD2-CG2 3.76Å; F205-T316 HydrophobicContact CE2-CG2 4.18Å; F205-T316 HydrophobicContact CG-CG2 4.24Å; F205-T316 WeakPolarHBondContact CZ-O 3.49Å
206	D	85.9	Confident	83.2	Confident	81 Å²	81	71.1 Å²	71.1	43%	0.433	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-57.9	-30.8	-175.9	-78	-0.1	0	0	0	113	D203 Y208 L209	D203-D206 WeakPolarHBondContact O-CB 3.29Å; D203-D206 PolarHBondContact O-N 2.6Å; D203-D206 VanDerWaalsContact O-N 3.08Å; D206-Y208 PolarHBondContact O-N 2.91Å; D206-L209 WeakPolarHBondContact O-CB 3.32Å; D206-L209 PolarHBondContact O-N 3.49Å; D206-L209 VanDerWaalsContact O-N 3.16Å
207	K	85.3	Confident	82.3	Confident	99 Å²	99	74 Å²	74	43%	0.43	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-60.8	-30.1	175.4	-179.8	-175.6	171.1	-162.1	0	113.2	D169 V170 N171 F205	D169-K207 WeakPolarHBondContact OD1-CD 3.37Å; D169-K207 WeakPolarHBondContact OD1-CE 3.45Å; D169-K207 IonicContact OD1-NZ 3.84Å; D169-K207 PolarHBondContact OD1-NZ 3.06Å; D169-K207 IonicContact OD2-NZ 3.67Å; V170-K207 PolarHBondContact O-NZ 3.48Å; N171-K207 WeakPolarHBondContact OD1-CE 3.35Å; N171-K207 PolarHBondContact OD1-NZ 3.5Å; F205-K207 PolarHBondContact O-N 3.39Å; F205-K207 VanDerWaalsContact O-N 3.09Å
208	Y	83.4	Confident	81.5	Confident	36 Å²	36	76 Å²	76	14%	0.141	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-89.2	-15.4	179.5	-56.5	-68.6	0	0	0	112.6	L134 P135 W137 F205 D206	L134-Y208 HydrophobicContact CD2-CE2 3.91Å; P135-Y208 HydrophobicContact CG-CD1 4.21Å; P135-Y208 HydrophobicContact CG-CE1 3.94Å; P135-Y208 HydrophobicContact CG-CE2 4.34Å; P135-Y208 HydrophobicContact CG-CG 4.47Å; P135-Y208 VanDerWaalsContact O-CE1 3.3Å; P135-Y208 WeakPolarHBondContact O-CE1 3.37Å; P135-Y208 PolarHBondContact O-OH 2.95Å; W137-Y208 AromaticContact CH2-CD1 3.94Å; W137-Y208 HydrophobicContact CH2-CD1 3.94Å; W137-Y208 HydrophobicContact CH2-CE1 4.2Å; W137-Y208 AromaticContact CZ3-CD1 3.55Å; W137-Y208 HydrophobicContact CZ3-CD1 3.55Å; W137-Y208 AromaticContact CZ3-CE1 3.57Å; W137-Y208 HydrophobicContact CZ3-CE1 3.57Å; F205-Y208 AromaticContact CD1-CD2 3.81Å; F205-Y208 HydrophobicContact CD1-CD2 3.81Å; F205-Y208 HydrophobicContact CD1-CE2 4.39Å; F205-Y208 HydrophobicContact CE1-CD2 4.4Å; F205-Y208 HydrophobicContact CG-CD2 4.42Å; F205-Y208 WeakPolarHBondContact O-CB 3.43Å; F205-Y208 PolarHBondContact O-N 3.4Å; D206-Y208 PolarHBondContact O-N 2.91Å
209	L	82.1	Confident	80.7	Confident	16 Å²	16	68.9 Å²	68.9	8%	0.084	33%	0.334	C	S	.	.	S	Bend	trans	-76.7	133.5	172.5	-52.9	-176.2	0	0	0	108.2	F205 D206 P211 Y315 I474 Y476	F205-L209 PolarHBondContact O-N 3.02Å; D206-L209 WeakPolarHBondContact O-CB 3.32Å; D206-L209 PolarHBondContact O-N 3.49Å; D206-L209 VanDerWaalsContact O-N 3.16Å; L209-P211 VanDerWaalsContact C-CD 3.43Å; L209-P211 WeakPolarHBondContact O-CD 3.2Å; L209-Y315 HydrophobicContact CD1-CE2 4.39Å; L209-Y315 HydrophobicContact CD2-CD2 4.37Å; L209-Y315 HydrophobicContact CD2-CE2 4.21Å; L209-I474 HydrophobicContact CD2-CB 3.91Å; L209-I474 HydrophobicContact CD2-CD1 4.44Å; L209-I474 HydrophobicContact CD2-CG2 3.7Å; L209-Y476 HydrophobicContact CB-CD1 4.01Å; L209-Y476 HydrophobicContact CB-CE1 3.96Å; L209-Y476 HydrophobicContact CD1-CD1 4.19Å; L209-Y476 HydrophobicContact CD1-CD2 4.21Å; L209-Y476 HydrophobicContact CD1-CG 3.96Å; L209-Y476 HydrophobicContact CD2-CD1 3.84Å; L209-Y476 HydrophobicContact CD2-CG 4.1Å; L209-Y476 HydrophobicContact CG-CD1 4.22Å; L209-Y476 HydrophobicContact CG-CG 4.45Å
210	D	75.9	Confident	80.2	Confident	46 Å²	46	73.7 Å²	73.7	25%	0.246	35%	0.346	C	S	.	.			trans	-101.8	83.2	179.5	-174.6	-4.9	0	0	0	110.3	S212 F213 F214 K473	D210-S212 PolarHBondContact O-N 2.85Å; D210-S212 PolarHBondContact OD1-N 3.18Å; D210-S212 PolarHBondContact OD1-OG 3.41Å; D210-F213 HydrophobicContact CB-CB 4.19Å; D210-F213 PolarHBondContact O-N 2.95Å; D210-F213 PolarHBondContact OD1-N 3.41Å; D210-F213 VanDerWaalsContact OD2-CB 3.31Å; D210-F213 WeakPolarHBondContact OD2-CB 3.27Å; D210-F214 WeakPolarHBondContact O-CD2 3.36Å; D210-F214 PolarHBondContact O-N 2.92Å; D210-K473 IonicContact OD2-NZ 3.16Å; D210-K473 PolarHBondContact OD2-NZ 2.99Å
211	P	73.7	Confident	79.8	Confident	88 Å²	88	74.1 Å²	74.1	57%	0.571	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-24.5	-178.1	28	-36.4	0	0	0	112.3	L209 F213	L209-P211 VanDerWaalsContact C-CD 3.43Å; L209-P211 WeakPolarHBondContact O-CD 3.2Å; P211-F213 VanDerWaalsContact C-N 3.25Å; P211-F213 PolarHBondContact O-N 3.31Å
212	S	71.2	Confident	79.3	Confident	82 Å²	82	72 Å²	72	57%	0.573	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-29.2	178.2	81.5	0	0	0	0	112.2	D210 Q215	D210-S212 PolarHBondContact O-N 2.85Å; D210-S212 PolarHBondContact OD1-N 3.18Å; D210-S212 PolarHBondContact OD1-OG 3.41Å; S212-Q215 WeakPolarHBondContact O-CG 3.27Å; S212-Q215 PolarHBondContact O-NE2 3.19Å
213	F	72.1	Confident	79.1	Confident	37 Å²	37	65.5 Å²	65.5	16%	0.162	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-45.8	177.6	179.4	-100.9	0	0	0	112.6	D210 P211 Q215 Y463 F464 T467 K473	D210-F213 HydrophobicContact CB-CB 4.19Å; D210-F213 PolarHBondContact O-N 2.95Å; D210-F213 PolarHBondContact OD1-N 3.41Å; D210-F213 VanDerWaalsContact OD2-CB 3.31Å; D210-F213 WeakPolarHBondContact OD2-CB 3.27Å; P211-F213 VanDerWaalsContact C-N 3.25Å; P211-F213 PolarHBondContact O-N 3.31Å; F213-Q215 PolarHBondContact O-N 3.25Å; F213-Y463 HydrophobicContact CZ-CE1 4.36Å; F213-F464 HydrophobicContact CD1-CD1 4.46Å; F213-F464 AromaticContact CE1-CD1 3.73Å; F213-F464 HydrophobicContact CE1-CD1 3.73Å; F213-F464 HydrophobicContact CE1-CE1 4.16Å; F213-F464 AromaticContact CZ-CD1 3.98Å; F213-F464 HydrophobicContact CZ-CD1 3.98Å; F213-F464 HydrophobicContact CZ-CE1 4.23Å; F213-T467 HydrophobicContact CE1-CG2 3.95Å; F213-T467 HydrophobicContact CE2-CG2 4.12Å; F213-T467 HydrophobicContact CZ-CG2 3.4Å; F213-T467 VanDerWaalsContact CZ-CG2 3.4Å; F213-K473 HydrophobicContact CB-CD 4.15Å; F213-K473 HydrophobicContact CD1-CD 3.34Å; F213-K473 HydrophobicContact CD2-CD 4.09Å; F213-K473 HydrophobicContact CE1-CD 3.65Å; F213-K473 HydrophobicContact CE2-CD 4.35Å; F213-K473 HydrophobicContact CG-CD 3.58Å; F213-K473 HydrophobicContact CZ-CD 4.16Å
214	F	69	Low	79	Confident	1 Å²	1	68.1 Å²	68.1	0%	0.004	32%	0.318	C	S	.	.	S	Bend	trans	-82.8	52.3	177.2	-64.8	-72.5	0	0	0	111.7	D210 H216 H219 F464 S468 K473 I474 Y475 Y476 V477	D210-F214 WeakPolarHBondContact O-CD2 3.36Å; D210-F214 PolarHBondContact O-N 2.92Å; F214-H216 PolarHBondContact O-N 3.38Å; F214-H219 AromaticContact CD1-NE2 3.83Å; F214-F464 HydrophobicContact CD1-CD1 4.19Å; F214-F464 HydrophobicContact CE1-CB 4.43Å; F214-F464 HydrophobicContact CE1-CD1 4.28Å; F214-S468 WeakPolarHBondContact CZ-OG 3.43Å; F214-K473 HydrophobicContact CE2-CB 3.97Å; F214-K473 HydrophobicContact CZ-CB 3.98Å; F214-I474 VanDerWaalsContact CE2-O 3.24Å; F214-I474 WeakPolarHBondContact CE2-O 3.3Å; F214-Y475 HydrophobicContact CD1-CD2 4.42Å; F214-Y475 AromaticContact CE1-CD2 3.67Å; F214-Y475 HydrophobicContact CE1-CD2 3.67Å; F214-Y475 HydrophobicContact CE1-CE2 4.19Å; F214-Y475 HydrophobicContact CZ-CD2 4.19Å; F214-Y476 HydrophobicContact CB-CE1 4.14Å; F214-Y476 HydrophobicContact CD2-CD1 4.18Å; F214-Y476 AromaticContact CD2-CE1 3.63Å; F214-Y476 HydrophobicContact CD2-CE1 3.63Å; F214-Y476 HydrophobicContact CE2-CE1 4.35Å; F214-Y476 HydrophobicContact CG-CE1 4.15Å; F214-V477 HydrophobicContact CB-CG2 4.06Å; F214-V477 HydrophobicContact CD1-CG2 4.48Å; F214-V477 HydrophobicContact CG-CG2 4.32Å
215	Q	71.9	Confident	78.5	Confident	95 Å²	95	71.5 Å²	71.5	44%	0.444	34%	0.337	S	S	.	.			trans	-61.3	116.7	-178.4	-59.6	-173.6	-0.1	0	0	109.9	S212 F213 R217 I218 H219	S212-Q215 WeakPolarHBondContact O-CG 3.27Å; S212-Q215 PolarHBondContact O-NE2 3.19Å; F213-Q215 PolarHBondContact O-N 3.25Å; Q215-R217 PolarHBondContact O-N 2.99Å; Q215-I218 HydrophobicContact CB-CD1 4.01Å; Q215-I218 HydrophobicContact CB-CG1 4.09Å; Q215-I218 HydrophobicContact CG-CD1 4.36Å; Q215-I218 PolarHBondContact O-N 3.44Å; Q215-H219 PolarHBondContact O-CD2 2.73Å; Q215-H219 PolarHBondContact O-N 3.12Å
216	H	74.4	Confident	78.2	Confident	105 Å²	105	71.3 Å²	71.3	49%	0.486	34%	0.336	S	S	.	.	H	α-helix	trans	-52	-31.3	178.2	-64.4	-57.3	0	0	0	113	F214 I218 H219 W220 F480	F214-H216 PolarHBondContact O-N 3.38Å; H216-I218 VanDerWaalsContact C-N 3.32Å; H216-I218 PolarHBondContact O-N 3.46Å; H216-H219 PolarHBondContact O-N 3.07Å; H216-W220 WeakPolarHBondContact O-CB 3.29Å; H216-W220 VanDerWaalsContact O-CD1 3.26Å; H216-W220 PolarHBondContact O-N 2.89Å; H216-F480 AromaticContact ND1-CE2 3.92Å
217	R	75.9	Confident	78	Confident	215 Å²	215	72.3 Å²	72.3	81%	0.811	34%	0.337	S	S	*	.	H	α-helix	trans	-60.3	-38.9	177.3	-62.5	-171.6	-166.6	-111.9	3	112.9	Q215 F221	Q215-R217 PolarHBondContact O-N 2.99Å; R217-F221 WeakPolarHBondContact O-CB 3.25Å; R217-F221 PolarHBondContact O-N 3.06Å
218	I	75.5	Confident	77.9	Confident	65 Å²	65	71.2 Å²	71.2	33%	0.333	33%	0.334	S	S	.	.	H	α-helix	trans	-73.2	-40.3	-177.9	-55.8	172.6	0	0	0	110	Q215 H216 F221 S222 I460 F464	Q215-I218 HydrophobicContact CB-CD1 4.01Å; Q215-I218 HydrophobicContact CB-CG1 4.09Å; Q215-I218 HydrophobicContact CG-CD1 4.36Å; Q215-I218 PolarHBondContact O-N 3.44Å; H216-I218 VanDerWaalsContact C-N 3.32Å; H216-I218 PolarHBondContact O-N 3.46Å; I218-F221 WeakPolarHBondContact O-CB 3.38Å; I218-F221 PolarHBondContact O-N 3.03Å; I218-S222 PolarHBondContact O-N 2.86Å; I218-I460 HydrophobicContact CG2-CG2 4.42Å; I218-F464 HydrophobicContact CB-CZ 4.15Å; I218-F464 HydrophobicContact CG2-CE2 3.88Å; I218-F464 HydrophobicContact CG2-CZ 3.67Å
219	H	76.9	Confident	77.8	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.6	-42.2	174.7	-66.7	-70.2	0	0	0	112.3	F214 Q215 H216 F221 S222 I223 E461 F464 F480	F214-H219 AromaticContact CD1-NE2 3.83Å; Q215-H219 PolarHBondContact O-CD2 2.73Å; Q215-H219 PolarHBondContact O-N 3.12Å; H216-H219 PolarHBondContact O-N 3.07Å; H219-F221 VanDerWaalsContact C-N 3.34Å; H219-F221 PolarHBondContact O-N 2.8Å; H219-S222 WeakPolarHBondContact O-CB 3.31Å; H219-S222 PolarHBondContact O-N 2.81Å; H219-I223 WeakPolarHBondContact O-CG1 3.14Å; H219-I223 PolarHBondContact O-N 3.06Å; H219-E461 IonicContact CE1-OE1 3.49Å; H219-E461 IonicContact CE1-OE2 2.94Å; H219-E461 IonicContact CG-OE1 3.54Å; H219-E461 IonicContact ND1-OE1 2.8Å; H219-E461 PolarHBondContact ND1-OE1 3.31Å; H219-E461 IonicContact ND1-OE2 3.61Å; H219-E461 PolarHBondContact ND1-OE2 3.21Å; H219-E461 VanDerWaalsContact ND1-OE2 3.13Å; H219-F464 AromaticContact CE1-CD2 3.41Å; H219-F464 VanDerWaalsContact CE1-CD2 3.41Å; H219-F464 WeakPolarHBondContact CE1-CD2 3.4Å; H219-F464 AromaticContact CE1-CE2 3.67Å; H219-F464 AromaticContact CE1-CG 3.64Å; H219-F464 AromaticContact ND1-CD2 3.85Å; H219-F464 AromaticContact ND1-CE2 3.93Å; H219-F480 HydrophobicContact CB-CD1 3.44Å; H219-F480 VanDerWaalsContact CB-CD1 3.44Å; H219-F480 HydrophobicContact CB-CE1 3.49Å; H219-F480 VanDerWaalsContact CB-CE1 3.49Å; H219-F480 HydrophobicContact CB-CG 4.2Å; H219-F480 HydrophobicContact CB-CZ 4.23Å
220	W	81.3	Confident	77.9	Confident	160 Å²	160	72.3 Å²	72.3	61%	0.606	34%	0.342	S	S	*	.	H	α-helix	trans	-63.5	-38.4	174.1	-88.5	104.5	0	0	0	112.9	H216 I223 F224 F480	H216-W220 WeakPolarHBondContact O-CB 3.29Å; H216-W220 VanDerWaalsContact O-CD1 3.26Å; H216-W220 PolarHBondContact O-N 2.89Å; W220-I223 PolarHBondContact O-N 3.04Å; W220-F224 WeakPolarHBondContact O-CB 3.37Å; W220-F224 PolarHBondContact O-N 2.89Å; W220-F480 AromaticContact CD1-CE1 3.89Å; W220-F480 AromaticContact CD1-CZ 3.9Å; W220-F480 HydrophobicContact CG-CE1 4.3Å; W220-F480 AromaticContact NE1-CE1 3.92Å; W220-F480 AromaticContact NE1-CZ 3.71Å
221	F	81.9	Confident	78.4	Confident	140 Å²	140	74.4 Å²	74.4	61%	0.614	35%	0.352	S	S	*	.	H	α-helix	trans	-62.2	-44.6	173.6	179.2	-97.1	0	0	0	111.8	R217 I218 H219 F224 N225	R217-F221 WeakPolarHBondContact O-CB 3.25Å; R217-F221 PolarHBondContact O-N 3.06Å; I218-F221 WeakPolarHBondContact O-CB 3.38Å; I218-F221 PolarHBondContact O-N 3.03Å; H219-F221 VanDerWaalsContact C-N 3.34Å; H219-F221 PolarHBondContact O-N 2.8Å; F221-F224 PolarHBondContact O-N 2.92Å; F221-N225 WeakPolarHBondContact O-CB 3.22Å; F221-N225 PolarHBondContact O-N 2.97Å
222	S	77.9	Confident	78.9	Confident	3 Å²	3	76.4 Å²	76.4	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-58	-48.5	174.8	177.8	0	0	0	0	112.2	I218 H219 N225 S226 I460 E461	I218-S222 PolarHBondContact O-N 2.86Å; H219-S222 WeakPolarHBondContact O-CB 3.31Å; H219-S222 PolarHBondContact O-N 2.81Å; S222-N225 PolarHBondContact O-N 3.31Å; S222-S226 WeakPolarHBondContact O-CB 3.49Å; S222-S226 PolarHBondContact O-N 2.99Å; S222-S226 PolarHBondContact O-OG 2.86Å; S222-I460 WeakPolarHBondContact OG-CB 3.25Å; S222-E461 PolarHBondContact OG-OE1 3.31Å
223	I	81.9	Confident	79.5	Confident	18 Å²	18	72.9 Å²	72.9	9%	0.092	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-45.7	178.4	-71.6	176.8	0	0	0	110.8	H219 W220 N225 S226 F227 F480 L483 I487	H219-I223 WeakPolarHBondContact O-CG1 3.14Å; H219-I223 PolarHBondContact O-N 3.06Å; W220-I223 PolarHBondContact O-N 3.04Å; I223-N225 PolarHBondContact O-N 2.83Å; I223-S226 PolarHBondContact O-N 3.06Å; I223-F227 WeakPolarHBondContact O-CB 3.37Å; I223-F227 PolarHBondContact O-N 2.86Å; I223-F480 HydrophobicContact CD1-CD1 3.41Å; I223-F480 VanDerWaalsContact CD1-CD1 3.41Å; I223-F480 HydrophobicContact CD1-CE1 3.96Å; I223-F480 HydrophobicContact CD1-CG 4.38Å; I223-L483 HydrophobicContact CD1-CB 4.23Å; I223-L483 HydrophobicContact CD1-CD1 3.79Å; I223-I487 HydrophobicContact CG2-CD1 4.28Å
224	F	84.6	Confident	80	Confident	123 Å²	123	73.9 Å²	73.9	54%	0.539	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-46.9	-180	-179.1	-97.7	0	0	0	111.7	W220 F221 S226 F227 M228	W220-F224 WeakPolarHBondContact O-CB 3.37Å; W220-F224 PolarHBondContact O-N 2.89Å; F221-F224 PolarHBondContact O-N 2.92Å; F224-S226 VanDerWaalsContact C-N 3.34Å; F224-S226 PolarHBondContact O-N 3.38Å; F224-F227 PolarHBondContact O-N 3.42Å; F224-M228 HydrophobicContact CD1-CG 4.36Å; F224-M228 HydrophobicContact CE1-CG 3.96Å; F224-M228 HydrophobicContact CE2-CE 4Å; F224-M228 HydrophobicContact CZ-CE 4.2Å; F224-M228 HydrophobicContact CZ-CG 4.08Å; F224-M228 HydrophobicContact CZ-SD 4.1Å; F224-M228 WeakPolarHBondContact O-CG 3.35Å; F224-M228 PolarHBondContact O-N 2.85Å
225	N	79.6	Confident	80.8	Confident	83 Å²	83	75.8 Å²	75.8	44%	0.444	36%	0.356	S	S	.	.	H	α-helix	trans	-61.4	-43.9	178	-174.7	59.3	0	0	0	111.8	F221 S222 I223 F227 M228 M229	F221-N225 WeakPolarHBondContact O-CB 3.22Å; F221-N225 PolarHBondContact O-N 2.97Å; S222-N225 PolarHBondContact O-N 3.31Å; I223-N225 PolarHBondContact O-N 2.83Å; N225-F227 VanDerWaalsContact C-N 3.34Å; N225-F227 PolarHBondContact O-N 2.87Å; N225-M228 PolarHBondContact O-N 3.14Å; N225-M229 PolarHBondContact O-N 3.15Å
226	S	82.1	Confident	81.2	Confident	4 Å²	4	74 Å²	74	3%	0.028	35%	0.349	C	S	.	.	H	α-helix	trans	-69.8	-33.1	179.6	-53.5	0	0	0	0	112.1	S222 I223 F224 M229 V230 S457	S222-S226 WeakPolarHBondContact O-CB 3.49Å; S222-S226 PolarHBondContact O-N 2.99Å; S222-S226 PolarHBondContact O-OG 2.86Å; I223-S226 PolarHBondContact O-N 3.06Å; F224-S226 VanDerWaalsContact C-N 3.34Å; F224-S226 PolarHBondContact O-N 3.38Å; S226-M229 WeakPolarHBondContact O-CB 3.24Å; S226-M229 PolarHBondContact O-N 3.47Å; S226-V230 WeakPolarHBondContact O-CG2 3.26Å; S226-V230 PolarHBondContact O-N 3.44Å; S226-V230 VanDerWaalsContact O-N 3.1Å; S226-S457 WeakPolarHBondContact CB-O 3.3Å; S226-S457 PolarHBondContact OG-O 3.4Å
227	F	81.8	Confident	81.3	Confident	103 Å²	103	69.7 Å²	69.7	45%	0.452	33%	0.33	S	S	.	.	H	α-helix	trans	-68.4	-39.8	174.5	-178	-110.5	0	0	0	112.4	I223 F224 N225 M229 V230 I231	I223-F227 WeakPolarHBondContact O-CB 3.37Å; I223-F227 PolarHBondContact O-N 2.86Å; F224-F227 PolarHBondContact O-N 3.42Å; N225-F227 VanDerWaalsContact C-N 3.34Å; N225-F227 PolarHBondContact O-N 2.87Å; F227-M229 VanDerWaalsContact C-N 3.29Å; F227-M229 PolarHBondContact O-N 3.12Å; F227-V230 WeakPolarHBondContact O-CB 3.42Å; F227-V230 PolarHBondContact O-N 2.99Å; F227-V230 VanDerWaalsContact O-N 3.16Å; F227-I231 HydrophobicContact CD1-CD1 4.04Å; F227-I231 HydrophobicContact CE1-CD1 3.52Å; F227-I231 HydrophobicContact CE1-CG1 4.25Å; F227-I231 HydrophobicContact CZ-CD1 3.88Å; F227-I231 HydrophobicContact CZ-CG1 4.24Å; F227-I231 PolarHBondContact O-N 3.47Å
228	M	83.2	Confident	81.5	Confident	75 Å²	75	62.1 Å²	62.1	37%	0.369	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-40.9	172.5	-69.5	-60.8	100.7	0	0	111.8	F224 N225 V230 I231 F232	F224-M228 HydrophobicContact CD1-CG 4.36Å; F224-M228 HydrophobicContact CE1-CG 3.96Å; F224-M228 HydrophobicContact CE2-CE 4Å; F224-M228 HydrophobicContact CZ-CE 4.2Å; F224-M228 HydrophobicContact CZ-CG 4.08Å; F224-M228 HydrophobicContact CZ-SD 4.1Å; F224-M228 WeakPolarHBondContact O-CG 3.35Å; F224-M228 PolarHBondContact O-N 2.85Å; N225-M228 PolarHBondContact O-N 3.14Å; M228-V230 VanDerWaalsContact C-N 3.34Å; M228-V230 PolarHBondContact O-N 3.39Å; M228-I231 HydrophobicContact CE-CD1 3.75Å; M228-I231 PolarHBondContact O-N 3.04Å; M228-F232 PolarHBondContact O-N 3.5Å
229	M	80.9	Confident	81.6	Confident	62 Å²	62	65 Å²	65	31%	0.305	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-39.2	174.5	-70.5	-61	-72.4	0	0	112.5	N225 S226 F227 F232 L233 L453	N225-M229 PolarHBondContact O-N 3.15Å; S226-M229 WeakPolarHBondContact O-CB 3.24Å; S226-M229 PolarHBondContact O-N 3.47Å; F227-M229 VanDerWaalsContact C-N 3.29Å; F227-M229 PolarHBondContact O-N 3.12Å; M229-F232 PolarHBondContact O-N 3.02Å; M229-L233 WeakPolarHBondContact O-CB 3.25Å; M229-L233 WeakPolarHBondContact O-CG 3.34Å; M229-L233 PolarHBondContact O-N 2.71Å; M229-L453 HydrophobicContact CE-CD2 3.71Å
230	V	83.1	Confident	81.4	Confident	14 Å²	14	66.9 Å²	66.9	9%	0.085	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-49.5	174.1	171.2	0	0	0	0	111.2	S226 F227 M228 F232 L233 V234 I487 I490 V491	S226-V230 WeakPolarHBondContact O-CG2 3.26Å; S226-V230 PolarHBondContact O-N 3.44Å; S226-V230 VanDerWaalsContact O-N 3.1Å; F227-V230 WeakPolarHBondContact O-CB 3.42Å; F227-V230 PolarHBondContact O-N 2.99Å; F227-V230 VanDerWaalsContact O-N 3.16Å; M228-V230 VanDerWaalsContact C-N 3.34Å; M228-V230 PolarHBondContact O-N 3.39Å; V230-F232 VanDerWaalsContact C-N 3.28Å; V230-F232 PolarHBondContact O-N 2.63Å; V230-L233 PolarHBondContact O-N 3.12Å; V230-V234 HydrophobicContact CG1-CG2 4.07Å; V230-V234 WeakPolarHBondContact O-CB 2.84Å; V230-V234 WeakPolarHBondContact O-CG2 3.48Å; V230-V234 PolarHBondContact O-N 3.02Å; V230-I487 HydrophobicContact CG2-CG2 3.95Å; V230-I490 HydrophobicContact CG1-CG2 3.66Å; V230-V491 HydrophobicContact CG2-CG2 3.4Å
231	I	86.9	Confident	80.9	Confident	89 Å²	89	62.2 Å²	62.2	46%	0.456	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-45.6	179.6	-68.7	177	0	0	0	110.5	F227 M228 L233 G235	F227-I231 HydrophobicContact CD1-CD1 4.04Å; F227-I231 HydrophobicContact CE1-CD1 3.52Å; F227-I231 HydrophobicContact CE1-CG1 4.25Å; F227-I231 HydrophobicContact CZ-CD1 3.88Å; F227-I231 HydrophobicContact CZ-CG1 4.24Å; F227-I231 PolarHBondContact O-N 3.47Å; M228-I231 HydrophobicContact CE-CD1 3.75Å; M228-I231 PolarHBondContact O-N 3.04Å; I231-L233 PolarHBondContact O-N 3.12Å; I231-G235 PolarHBondContact O-N 3.09Å
232	F	85.1	Confident	80.3	Confident	131 Å²	131	60 Å²	60	58%	0.575	31%	0.313	S	S	*	.	H	α-helix	trans	-59.2	-47.7	177.7	175.8	-101.7	0	0	0	112.1	M228 M229 V230 G235 L236	M228-F232 PolarHBondContact O-N 3.5Å; M229-F232 PolarHBondContact O-N 3.02Å; V230-F232 VanDerWaalsContact C-N 3.28Å; V230-F232 PolarHBondContact O-N 2.63Å; F232-G235 PolarHBondContact O-N 3.39Å; F232-L236 HydrophobicContact CE1-CD1 4.33Å; F232-L236 HydrophobicContact CZ-CD1 4.37Å; F232-L236 WeakPolarHBondContact O-CB 3.08Å; F232-L236 PolarHBondContact O-N 3Å
233	L	83.1	Confident	79.9	Confident	7 Å²	7	68.4 Å²	68.4	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-67.3	-43	-179.3	-78.1	171.7	0	0	0	113.1	M229 V230 I231 G235 L236 V237 L453 V491 C494 V495	M229-L233 WeakPolarHBondContact O-CB 3.25Å; M229-L233 WeakPolarHBondContact O-CG 3.34Å; M229-L233 PolarHBondContact O-N 2.71Å; V230-L233 PolarHBondContact O-N 3.12Å; I231-L233 PolarHBondContact O-N 3.12Å; L233-G235 VanDerWaalsContact C-N 3.28Å; L233-G235 PolarHBondContact O-N 3.09Å; L233-L236 PolarHBondContact O-N 3.34Å; L233-V237 WeakPolarHBondContact O-CG2 3.31Å; L233-V237 PolarHBondContact O-N 3.37Å; L233-L453 HydrophobicContact CD1-CD1 4.36Å; L233-L453 HydrophobicContact CD2-CD1 3.85Å; L233-V491 HydrophobicContact CD1-CG1 3.77Å; L233-C494 HydrophobicContact CB-CB 4.14Å; L233-V495 HydrophobicContact CD1-CG2 3.82Å; L233-V495 HydrophobicContact CD2-CG2 4.2Å
234	V	83.4	Confident	78.9	Confident	59 Å²	59	68.7 Å²	68.7	36%	0.358	35%	0.346	S	S	.	.	H	α-helix	trans	-62.7	-40.3	174.9	172.6	0	0	0	0	110.1	V230 V237 S238 I490	V230-V234 HydrophobicContact CG1-CG2 4.07Å; V230-V234 WeakPolarHBondContact O-CB 2.84Å; V230-V234 WeakPolarHBondContact O-CG2 3.48Å; V230-V234 PolarHBondContact O-N 3.02Å; V234-V237 PolarHBondContact O-N 3.03Å; V234-S238 WeakPolarHBondContact O-CB 3.35Å; V234-S238 PolarHBondContact O-N 3.15Å; V234-S238 PolarHBondContact O-OG 3.34Å; V234-I490 HydrophobicContact CG2-CG2 4.39Å
235	G	84.6	Confident	77.9	Confident	40 Å²	40	67.7 Å²	67.7	41%	0.412	35%	0.346	S	S	.	.	H	α-helix	trans	-59.8	-46	173.3	0	0	0	0	0	112.4	I231 F232 L233 S238 M239	I231-G235 PolarHBondContact O-N 3.09Å; F232-G235 PolarHBondContact O-N 3.39Å; L233-G235 VanDerWaalsContact C-N 3.28Å; L233-G235 PolarHBondContact O-N 3.09Å; G235-S238 PolarHBondContact O-N 2.86Å; G235-M239 WeakPolarHBondContact O-CB 3.27Å; G235-M239 PolarHBondContact O-N 3.26Å
236	L	80	Confident	77.3	Confident	58 Å²	58	71.9 Å²	71.9	30%	0.304	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-48.2	177.3	-173.5	156.5	0	0	0	111.7	F232 L233 S238 M239 I240 V498	F232-L236 HydrophobicContact CE1-CD1 4.33Å; F232-L236 HydrophobicContact CZ-CD1 4.37Å; F232-L236 WeakPolarHBondContact O-CB 3.08Å; F232-L236 PolarHBondContact O-N 3Å; L233-L236 PolarHBondContact O-N 3.34Å; L236-S238 VanDerWaalsContact C-N 3.34Å; L236-S238 PolarHBondContact O-N 3.44Å; L236-M239 WeakPolarHBondContact O-CB 3.24Å; L236-M239 PolarHBondContact O-N 3.47Å; L236-I240 HydrophobicContact CD2-CD1 3.49Å; L236-I240 VanDerWaalsContact CD2-CD1 3.49Å; L236-I240 HydrophobicContact CD2-CG1 4.22Å; L236-I240 WeakPolarHBondContact O-CG1 3.35Å; L236-I240 PolarHBondContact O-N 2.93Å; L236-V498 HydrophobicContact CD2-CG1 4.39Å; L236-V498 HydrophobicContact CD2-CG2 3.78Å
237	V	78.1	Confident	76.3	Confident	15 Å²	15	78.8 Å²	78.8	9%	0.091	39%	0.385	C	S	.	.	H	α-helix	trans	-60.9	-44.2	177.1	172	0	0	0	0	110.9	L233 V234 M239 I240 L241 C494 I497 V498	L233-V237 WeakPolarHBondContact O-CG2 3.31Å; L233-V237 PolarHBondContact O-N 3.37Å; V234-V237 PolarHBondContact O-N 3.03Å; V237-M239 VanDerWaalsContact C-N 3.34Å; V237-M239 PolarHBondContact O-N 3.32Å; V237-I240 PolarHBondContact O-N 2.96Å; V237-L241 HydrophobicContact CG1-CD1 4.07Å; V237-L241 WeakPolarHBondContact O-CB 3.39Å; V237-L241 PolarHBondContact O-N 3.36Å; V237-C494 HydrophobicContact CG2-CB 4.18Å; V237-I497 HydrophobicContact CG1-CG2 4.25Å; V237-V498 HydrophobicContact CG2-CG2 3.55Å
238	S	78.7	Confident	75.2	Confident	55 Å²	55	75.4 Å²	75.4	39%	0.385	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-39.7	177.4	-59.3	0	0	0	0	111.5	V234 G235 L236 L241 M242	V234-S238 WeakPolarHBondContact O-CB 3.35Å; V234-S238 PolarHBondContact O-N 3.15Å; V234-S238 PolarHBondContact O-OG 3.34Å; G235-S238 PolarHBondContact O-N 2.86Å; L236-S238 VanDerWaalsContact C-N 3.34Å; L236-S238 PolarHBondContact O-N 3.44Å; S238-L241 PolarHBondContact O-N 3.35Å; S238-M242 VanDerWaalsContact O-CB 3.22Å; S238-M242 WeakPolarHBondContact O-CB 2.92Å; S238-M242 WeakPolarHBondContact O-CG 3.38Å; S238-M242 PolarHBondContact O-N 3.05Å
239	M	77.6	Confident	74.1	Confident	127 Å²	127	80.8 Å²	80.8	63%	0.626	39%	0.389	S	S	*	.	H	α-helix	trans	-62.7	-45.1	174.1	-175.8	-167.8	178.2	0	0	111.3	G235 L236 V237 M242 R243	G235-M239 WeakPolarHBondContact O-CB 3.27Å; G235-M239 PolarHBondContact O-N 3.26Å; L236-M239 WeakPolarHBondContact O-CB 3.24Å; L236-M239 PolarHBondContact O-N 3.47Å; V237-M239 VanDerWaalsContact C-N 3.34Å; V237-M239 PolarHBondContact O-N 3.32Å; M239-M242 PolarHBondContact O-N 2.99Å; M239-R243 WeakPolarHBondContact O-CB 3.41Å; M239-R243 PolarHBondContact O-N 3.47Å
240	I	73.3	Confident	73.2	Confident	38 Å²	38	80.5 Å²	80.5	20%	0.195	40%	0.397	C	S	.	.	H	α-helix	trans	-58.4	-52.7	176	-70	174.6	0	0	0	109.8	L236 V237 M242 R243 T244 V498 Y501	L236-I240 HydrophobicContact CD2-CD1 3.49Å; L236-I240 VanDerWaalsContact CD2-CD1 3.49Å; L236-I240 HydrophobicContact CD2-CG1 4.22Å; L236-I240 WeakPolarHBondContact O-CG1 3.35Å; L236-I240 PolarHBondContact O-N 2.93Å; V237-I240 PolarHBondContact O-N 2.96Å; I240-M242 PolarHBondContact O-N 3.01Å; I240-R243 PolarHBondContact O-N 2.88Å; I240-T244 PolarHBondContact O-N 2.78Å; I240-T244 PolarHBondContact O-OG1 3.47Å; I240-V498 HydrophobicContact CD1-CG2 4.4Å; I240-Y501 HydrophobicContact CG2-CD1 3.63Å; I240-Y501 HydrophobicContact CG2-CE1 3.37Å; I240-Y501 HydrophobicContact CG2-CE2 4.34Å; I240-Y501 HydrophobicContact CG2-CG 4.2Å
241	L	71.1	Confident	72.1	Confident	62 Å²	62	84.4 Å²	84.4	33%	0.325	41%	0.41	S	S	.	.	H	α-helix	trans	-57.3	-49.7	178.2	-81.9	170.8	0	0	0	112.4	V237 S238 R243 T244 L245 F575	V237-L241 HydrophobicContact CG1-CD1 4.07Å; V237-L241 WeakPolarHBondContact O-CB 3.39Å; V237-L241 PolarHBondContact O-N 3.36Å; S238-L241 PolarHBondContact O-N 3.35Å; L241-R243 VanDerWaalsContact C-N 3.35Å; L241-R243 PolarHBondContact O-N 3.37Å; L241-T244 PolarHBondContact O-N 3.39Å; L241-L245 WeakPolarHBondContact O-CG 3.11Å; L241-L245 PolarHBondContact O-N 3.28Å; L241-F575 HydrophobicContact CD2-CD2 4.4Å; L241-F575 HydrophobicContact CD2-CE2 3.65Å; L241-F575 HydrophobicContact CG-CE2 4.32Å
242	M	70	Confident	70.7	Confident	95 Å²	95	84.2 Å²	84.2	47%	0.468	40%	0.404	S	S	.	.	H	α-helix	trans	-66.8	-34.5	179.7	-74.9	-68.6	-74.2	0	0	112.6	S238 M239 I240 R246	S238-M242 VanDerWaalsContact O-CB 3.22Å; S238-M242 WeakPolarHBondContact O-CB 2.92Å; S238-M242 WeakPolarHBondContact O-CG 3.38Å; S238-M242 PolarHBondContact O-N 3.05Å; M239-M242 PolarHBondContact O-N 2.99Å; I240-M242 PolarHBondContact O-N 3.01Å; M242-R246 VanDerWaalsContact O-CB 3.31Å; M242-R246 WeakPolarHBondContact O-CB 3.42Å; M242-R246 PolarHBondContact O-N 3.24Å
243	R	69.8	Low	69.5	Low	179 Å²	179	80.5 Å²	80.5	68%	0.675	39%	0.394	S	S	*	.	H	α-helix	trans	-67.4	-41.8	174.7	-175.1	177.5	-178.4	178.2	0.8	110.5	M239 I240 L241 K247	M239-R243 WeakPolarHBondContact O-CB 3.41Å; M239-R243 PolarHBondContact O-N 3.47Å; I240-R243 PolarHBondContact O-N 2.88Å; L241-R243 VanDerWaalsContact C-N 3.35Å; L241-R243 PolarHBondContact O-N 3.37Å; R243-K247 WeakPolarHBondContact O-CB 3.36Å; R243-K247 PolarHBondContact O-N 3.18Å
244	T	60.1	Low	68.4	Low	23 Å²	23	87 Å²	87	14%	0.141	42%	0.422	C	S	.	.	H	α-helix	trans	-64.1	-48.8	175.5	-56.5	0	0	0	0	111	I240 L241 R246 K247 D248 W271 Y501	I240-T244 PolarHBondContact O-N 2.78Å; I240-T244 PolarHBondContact O-OG1 3.47Å; L241-T244 PolarHBondContact O-N 3.39Å; T244-R246 PolarHBondContact O-N 2.94Å; T244-K247 PolarHBondContact O-N 2.87Å; T244-D248 VanDerWaalsContact O-CB 3.29Å; T244-D248 WeakPolarHBondContact O-CB 3.3Å; T244-D248 VanDerWaalsContact O-CG 3.23Å; T244-D248 PolarHBondContact O-N 3.27Å; T244-W271 HydrophobicContact CG2-CZ2 3.84Å; T244-Y501 PolarHBondContact OG1-OH 2.95Å; T244-Y501 VanDerWaalsContact OG1-OH 3.04Å
245	L	63.3	Low	67.1	Low	102 Å²	102	87.9 Å²	87.9	53%	0.534	42%	0.423	S	S	.	.	H	α-helix	trans	-62.1	-43.7	178.1	-71.6	172.3	0	0	0	112.7	L241 D248 Y249	L241-L245 WeakPolarHBondContact O-CG 3.11Å; L241-L245 PolarHBondContact O-N 3.28Å; L245-D248 PolarHBondContact O-N 3Å; L245-Y249 WeakPolarHBondContact O-CB 3.49Å; L245-Y249 PolarHBondContact O-N 2.88Å
246	R	67.3	Low	65.9	Low	171 Å²	171	94.3 Å²	94.3	65%	0.645	44%	0.442	S	S	*	.	H	α-helix	trans	-67.6	-41.7	177.1	-83.5	-169.8	-83.1	-154.9	-4.1	112.7	M242 T244 D248 Y249 A250	M242-R246 VanDerWaalsContact O-CB 3.31Å; M242-R246 WeakPolarHBondContact O-CB 3.42Å; M242-R246 PolarHBondContact O-N 3.24Å; T244-R246 PolarHBondContact O-N 2.94Å; R246-D248 VanDerWaalsContact C-N 3.28Å; R246-D248 PolarHBondContact O-N 2.85Å; R246-Y249 PolarHBondContact O-N 2.91Å; R246-A250 VanDerWaalsContact O-CB 3.32Å; R246-A250 WeakPolarHBondContact O-CB 3.35Å; R246-A250 PolarHBondContact O-N 3.42Å
247	K	61.7	Low	64.9	Low	149 Å²	149	99.4 Å²	99.4	65%	0.648	46%	0.464	S	S	*	.	H	α-helix	trans	-64	-37.7	176.8	-174.2	177.9	176.6	-175	0	111	R243 T244 R251	R243-K247 WeakPolarHBondContact O-CB 3.36Å; R243-K247 PolarHBondContact O-N 3.18Å; T244-K247 PolarHBondContact O-N 2.87Å; K247-R251 WeakPolarHBondContact O-CB 3.37Å; K247-R251 PolarHBondContact O-N 2.85Å
248	D	59.1	Low	63.8	Low	33 Å²	33	102.8 Å²	102.8	18%	0.176	48%	0.48	C	S	.	.	H	α-helix	trans	-69	-46.9	175.8	-76	-10.1	0	0	0	111.6	T244 L245 R246 A250 R251 Y252 K272	T244-D248 VanDerWaalsContact O-CB 3.29Å; T244-D248 WeakPolarHBondContact O-CB 3.3Å; T244-D248 VanDerWaalsContact O-CG 3.23Å; T244-D248 PolarHBondContact O-N 3.27Å; L245-D248 PolarHBondContact O-N 3Å; R246-D248 VanDerWaalsContact C-N 3.28Å; R246-D248 PolarHBondContact O-N 2.85Å; D248-A250 PolarHBondContact O-N 3.2Å; D248-R251 PolarHBondContact O-N 3.4Å; D248-R251 VanDerWaalsContact O-N 3.1Å; D248-Y252 HydrophobicContact CB-CE2 4.48Å; D248-Y252 WeakPolarHBondContact O-CD2 3.39Å; D248-Y252 PolarHBondContact O-N 3.19Å; D248-K272 IonicContact OD1-NZ 3.51Å; D248-K272 PolarHBondContact OD1-NZ 3.46Å; D248-K272 WeakPolarHBondContact OD2-CE 3.37Å; D248-K272 IonicContact OD2-NZ 3Å; D248-K272 PolarHBondContact OD2-NZ 2.85Å
249	Y	60.1	Low	62.8	Low	188 Å²	188	106.8 Å²	106.8	74%	0.737	50%	0.497	S	S	*	.	H	α-helix	trans	-61.5	-43.7	178.7	-160.9	-88.4	0	0	0	112.6	L245 R246 R251 Y252 S253	L245-Y249 WeakPolarHBondContact O-CB 3.49Å; L245-Y249 PolarHBondContact O-N 2.88Å; R246-Y249 PolarHBondContact O-N 2.91Å; Y249-R251 PolarHBondContact O-N 3.19Å; Y249-Y252 PolarHBondContact O-N 2.75Å; Y249-S253 PolarHBondContact O-N 3.22Å
250	A	61.1	Low	61.9	Low	56 Å²	56	106.6 Å²	106.6	46%	0.463	50%	0.499	S	S	.	.	H	α-helix	trans	-70	-16.5	177.1	0	0	0	0	0	113.6	R246 D248 S253	R246-A250 VanDerWaalsContact O-CB 3.32Å; R246-A250 WeakPolarHBondContact O-CB 3.35Å; R246-A250 PolarHBondContact O-N 3.42Å; D248-A250 PolarHBondContact O-N 3.2Å; A250-S253 PolarHBondContact O-OG 2.96Å; A250-S253 VanDerWaalsContact O-OG 3.07Å
251	R	59.9	Low	60.9	Low	95 Å²	95	112.3 Å²	112.3	36%	0.358	53%	0.526	S	S	.	.	H	α-helix	trans	-86.2	-43.1	175	-165.6	-176.6	-134	-163.9	-0.1	111.3	K247 D248 Y249 S253 K254 E255	K247-R251 WeakPolarHBondContact O-CB 3.37Å; K247-R251 PolarHBondContact O-N 2.85Å; D248-R251 PolarHBondContact O-N 3.4Å; D248-R251 VanDerWaalsContact O-N 3.1Å; Y249-R251 PolarHBondContact O-N 3.19Å; R251-S253 VanDerWaalsContact C-N 3.27Å; R251-S253 PolarHBondContact O-N 3.3Å; R251-K254 CarbonylContact O-C 3.55Å; R251-K254 WeakPolarHBondContact O-CA 3.45Å; R251-K254 WeakPolarHBondContact O-CB 3.26Å; R251-K254 PolarHBondContact O-N 2.93Å; R251-E255 WeakPolarHBondContact CD-OE1 3.27Å; R251-E255 HydrophobicContact CG-CG 4.43Å; R251-E255 WeakPolarHBondContact CG-OE1 3.37Å; R251-E255 IonicContact NE-OE1 3.82Å; R251-E255 PolarHBondContact O-N 2.94Å
252	Y	56.8	Low	60.1	Low	85 Å²	85	114 Å²	114	33%	0.333	54%	0.536	S	S	.	.	H	α-helix	trans	-57.5	-41.1	173.8	-76.7	-68.3	0	0	0	112.2	D248 Y249 K254 E255 E256 K584	D248-Y252 HydrophobicContact CB-CE2 4.48Å; D248-Y252 WeakPolarHBondContact O-CD2 3.39Å; D248-Y252 PolarHBondContact O-N 3.19Å; Y249-Y252 PolarHBondContact O-N 2.75Å; Y252-K254 PolarHBondContact O-N 2.95Å; Y252-E255 PolarHBondContact O-N 3.22Å; Y252-E256 PolarHBondContact O-N 2.97Å; Y252-E256 VanDerWaalsContact O-N 3.11Å; Y252-K584 HydrophobicContact CE1-CD 4.45Å
253	S	60.3	Low	59.3	Low	53 Å²	53	117.2 Å²	117.2	37%	0.371	54%	0.543	S	S	.	.	H	α-helix	trans	-64.3	-23.9	175.2	63	0	0	0	0	113.6	Y249 A250 R251	Y249-S253 PolarHBondContact O-N 3.22Å; A250-S253 PolarHBondContact O-OG 2.96Å; A250-S253 VanDerWaalsContact O-OG 3.07Å; R251-S253 VanDerWaalsContact C-N 3.27Å; R251-S253 PolarHBondContact O-N 3.3Å
254	K	61.2	Low	58.3	Low	143 Å²	143	116.3 Å²	116.3	62%	0.622	55%	0.551	S	S	*	*	H	α-helix	trans	-90	-33.1	176.1	-87.3	-171.6	170.6	-168.4	0	113.1	R251 Y252 E256 E257 M258	R251-K254 CarbonylContact O-C 3.55Å; R251-K254 WeakPolarHBondContact O-CA 3.45Å; R251-K254 WeakPolarHBondContact O-CB 3.26Å; R251-K254 PolarHBondContact O-N 2.93Å; Y252-K254 PolarHBondContact O-N 2.95Å; K254-E256 VanDerWaalsContact C-N 3.31Å; K254-E257 PolarHBondContact O-N 3.45Å; K254-E257 VanDerWaalsContact O-N 3.1Å; K254-M258 PolarHBondContact O-N 3.38Å
255	E	56	Low	57.6	Low	78 Å²	78	121.7 Å²	121.7	36%	0.364	58%	0.579	S	S	.	*	H	α-helix	trans	-69.9	-28.1	175.8	-80.2	167.8	-169.5	0	0	111.7	R251 Y252 E257	R251-E255 WeakPolarHBondContact CD-OE1 3.27Å; R251-E255 HydrophobicContact CG-CG 4.43Å; R251-E255 WeakPolarHBondContact CG-OE1 3.37Å; R251-E255 IonicContact NE-OE1 3.82Å; R251-E255 PolarHBondContact O-N 2.94Å; Y252-E255 PolarHBondContact O-N 3.22Å; E255-E257 PolarHBondContact O-N 3.37Å
256	E	57.7	Low	57	Low	176 Å²	176	118.7 Å²	118.7	82%	0.822	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-18.2	167.3	-79	179.9	173.9	0	0	113.4	Y252 K254	Y252-E256 PolarHBondContact O-N 2.97Å; Y252-E256 VanDerWaalsContact O-N 3.11Å; K254-E256 VanDerWaalsContact C-N 3.31Å
257	E	59	Low	56.2	Low	164 Å²	164	115.2 Å²	115.2	77%	0.766	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-3.1	-178.5	-65.9	178.6	169.9	0	0	113.6	K254 E255	K254-E257 PolarHBondContact O-N 3.45Å; K254-E257 VanDerWaalsContact O-N 3.1Å; E255-E257 PolarHBondContact O-N 3.37Å
258	M	56.1	Low	55.8	Low	86 Å²	86	112.9 Å²	112.9	42%	0.424	56%	0.558	S	S	.	*	S	Bend	trans	-99.1	134.2	-177.4	-94.7	174.7	50.3	0	0	112.5	K254 D262	K254-M258 PolarHBondContact O-N 3.38Å; M258-D262 HydrophobicContact CE-CB 3.52Å; M258-D262 VanDerWaalsContact CE-O 3.25Å; M258-D262 WeakPolarHBondContact CE-O 3.43Å
259	D	57.3	Low	55.9	Low	139 Å²	139	119.1 Å²	119.1	74%	0.743	58%	0.58	S	S	*	*			trans	-63.4	148	175.3	-100.7	-15.2	0	0	0	112.1	M261 D262	D259-M261 PolarHBondContact O-N 2.89Å; D259-D262 PolarHBondContact O-N 2.83Å
260	D	59	Low	56.6	Low	124 Å²	124	110.4 Å²	110.4	66%	0.663	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-19.6	-171.9	-79.4	-38.2	0	0	0	115.1	R263	D260-R263 WeakPolarHBondContact O-CB 3.28Å; D260-R263 IonicContact OD1-NH1 3.79Å; D260-R263 PolarHBondContact OD1-NH1 3.47Å
261	M	51.7	Low	57.4	Low	157 Å²	157	108.7 Å²	108.7	77%	0.773	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-27.7	177.9	-88.7	-72.3	-59.5	0	0	114.5	D259 R263	D259-M261 PolarHBondContact O-N 2.89Å; M261-R263 VanDerWaalsContact C-N 3.34Å
262	D	53.8	Low	58.4	Low	99 Å²	99	105.4 Å²	105.4	53%	0.529	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-4.9	176.9	-76.7	-32.3	0	0	0	112.2	M258 D259	M258-D262 HydrophobicContact CE-CB 3.52Å; M258-D262 VanDerWaalsContact CE-O 3.25Å; M258-D262 WeakPolarHBondContact CE-O 3.43Å; D259-D262 PolarHBondContact O-N 2.83Å
263	R	54	Low	59.7	Low	161 Å²	161	103.4 Å²	103.4	61%	0.608	51%	0.512	S	S	*	.	S	Bend	trans	-72.9	-30.6	-179.2	-150.5	171.2	167.4	-169	-4.4	112.5	D260 M261	D260-R263 WeakPolarHBondContact O-CB 3.28Å; D260-R263 IonicContact OD1-NH1 3.79Å; D260-R263 PolarHBondContact OD1-NH1 3.47Å; M261-R263 VanDerWaalsContact C-N 3.34Å
264	D	49.2	Very low	61	Low	160 Å²	160	101 Å²	101	86%	0.856	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.4	-179.5	-103.9	-3.6	0	0	0	114.5
265	L	45.8	Very low	62.2	Low	137 Å²	137	96.3 Å²	96.3	72%	0.717	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	0.6	177.2	-80.8	111.6	0	0	0	113.9	D267	L265-D267 PolarHBondContact O-N 3.49Å
266	G	49.1	Very low	63.6	Low	39 Å²	39	92.6 Å²	92.6	40%	0.402	46%	0.457	S	S	.	.			trans	-76.2	80.9	179.5	0	0	0	0	0	112.2	E268	G266-E268 PolarHBondContact O-N 3.42Å
267	D	50.9	Low	65.1	Low	98 Å²	98	84.3 Å²	84.3	52%	0.524	42%	0.419	S	S	.	.			trans	-43.6	104.1	169.1	-79.8	-25.5	0	0	0	110.7	L265 Y269	L265-D267 PolarHBondContact O-N 3.49Å; D267-Y269 HydrophobicContact CB-CD2 3.86Å; D267-Y269 HydrophobicContact CB-CE2 3.39Å; D267-Y269 VanDerWaalsContact O-CD2 3.28Å; D267-Y269 WeakPolarHBondContact O-CD2 3.31Å; D267-Y269 PolarHBondContact O-N 3.31Å; D267-Y269 PolarHBondContact OD2-OH 3.02Å
268	E	54.4	Low	66.6	Low	100 Å²	100	76.6 Å²	76.6	47%	0.467	38%	0.383	S	S	.	.			trans	-71.7	88.1	174.7	-71.6	-166.1	140	0	0	108.7	G266 Q273	G266-E268 PolarHBondContact O-N 3.42Å; E268-Q273 HydrophobicContact CB-CG 4.45Å; E268-Q273 WeakPolarHBondContact O-CG 3.21Å; E268-Q273 PolarHBondContact O-NE2 3.3Å
269	Y	60.2	Low	68.3	Low	163 Å²	163	73 Å²	73	64%	0.639	37%	0.365	S	S	*	.			trans	-66.1	143.1	-170.9	-85.4	-91	0	0	0	116.6	D267 W271	D267-Y269 HydrophobicContact CB-CD2 3.86Å; D267-Y269 HydrophobicContact CB-CE2 3.39Å; D267-Y269 VanDerWaalsContact O-CD2 3.28Å; D267-Y269 WeakPolarHBondContact O-CD2 3.31Å; D267-Y269 PolarHBondContact O-N 3.31Å; D267-Y269 PolarHBondContact OD2-OH 3.02Å; Y269-W271 PolarHBondContact O-N 3.31Å
270	G	74.2	Confident	70	Confident	6 Å²	6	68.3 Å²	68.3	6%	0.062	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-103	149.4	0	0	0	0	0	115.3	L504 E507	G270-L504 CarbonylContact C-O 3.51Å; G270-E507 WeakPolarHBondContact O-CG 3.43Å
271	W	79.1	Confident	71.5	Confident	20 Å²	20	66 Å²	66	8%	0.076	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-27.4	-173.7	68.9	-86.2	0	0	0	113.3	T244 Y269 V274 L504 N505 I579 Y580 V583	T244-W271 HydrophobicContact CG2-CZ2 3.84Å; Y269-W271 PolarHBondContact O-N 3.31Å; W271-V274 WeakPolarHBondContact O-CG2 3.29Å; W271-V274 PolarHBondContact O-N 3.45Å; W271-L504 VanDerWaalsContact CA-O 3.27Å; W271-L504 WeakPolarHBondContact CA-O 3.47Å; W271-L504 HydrophobicContact CB-CB 3.77Å; W271-L504 PolarHBondContact N-O 3.29Å; W271-N505 VanDerWaalsContact CD1-OD1 3.25Å; W271-I579 HydrophobicContact CE3-CD1 3.98Å; W271-I579 HydrophobicContact CH2-CB 4.3Å; W271-I579 HydrophobicContact CZ3-CB 4.08Å; W271-I579 HydrophobicContact CZ3-CD1 4.04Å; W271-I579 HydrophobicContact CZ3-CG1 4.14Å; W271-Y580 AromaticContact CE3-CE1 3.99Å; W271-Y580 HydrophobicContact CE3-CE1 3.99Å; W271-Y580 HydrophobicContact CE3-CE2 4.42Å; W271-Y580 AromaticContact CE3-CZ 3.84Å; W271-Y580 HydrophobicContact CZ3-CD1 4.43Å; W271-Y580 HydrophobicContact CZ3-CE1 4.17Å; W271-Y580 PolarHBondContact O-OH 2.93Å; W271-V583 HydrophobicContact CH2-CG2 3.86Å; W271-V583 HydrophobicContact CZ3-CG2 3.73Å
272	K	81.7	Confident	73.5	Confident	26 Å²	26	58.8 Å²	58.8	11%	0.113	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-70	-34.1	-178.6	-69.4	-176.5	176.6	179	0	112.9	D248 V274 H275	D248-K272 IonicContact OD1-NZ 3.51Å; D248-K272 PolarHBondContact OD1-NZ 3.46Å; D248-K272 WeakPolarHBondContact OD2-CE 3.37Å; D248-K272 IonicContact OD2-NZ 3Å; D248-K272 PolarHBondContact OD2-NZ 2.85Å; K272-V274 PolarHBondContact O-N 2.86Å; K272-H275 WeakPolarHBondContact O-CB 3.43Å; K272-H275 PolarHBondContact O-N 3.2Å; K272-H275 VanDerWaalsContact O-N 3.14Å; K272-H275 PolarHBondContact O-ND1 3.24Å
273	Q	82.3	Confident	75.2	Confident	43 Å²	43	57.6 Å²	57.6	20%	0.201	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-63	-27.4	-179.4	-53.5	-170.4	-17.8	0	0	113.2	E268 H275 R432 E507	E268-Q273 HydrophobicContact CB-CG 4.45Å; E268-Q273 WeakPolarHBondContact O-CG 3.21Å; E268-Q273 PolarHBondContact O-NE2 3.3Å; Q273-H275 VanDerWaalsContact C-N 3.26Å; Q273-H275 PolarHBondContact O-N 3.37Å; Q273-R432 VanDerWaalsContact OE1-CZ 3.23Å; Q273-E507 PolarHBondContact OE1-OE1 3.12Å; Q273-E507 PolarHBondContact OE1-OE2 3.35Å
274	V	87.8	Confident	77.1	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-86.7	8.7	-178.3	-64.8	0	0	0	0	113.1	W271 K272 G276 D277 V278 L504 E507 Y580	W271-V274 WeakPolarHBondContact O-CG2 3.29Å; W271-V274 PolarHBondContact O-N 3.45Å; K272-V274 PolarHBondContact O-N 2.86Å; V274-G276 PolarHBondContact O-N 3.04Å; V274-G276 VanDerWaalsContact O-N 3.07Å; V274-D277 PolarHBondContact O-N 2.9Å; V274-V278 HydrophobicContact CB-CG2 4.01Å; V274-V278 HydrophobicContact CG2-CG2 3.63Å; V274-V278 WeakPolarHBondContact O-CG2 3.21Å; V274-V278 PolarHBondContact O-N 2.72Å; V274-L504 HydrophobicContact CG2-CD2 4.18Å; V274-E507 HydrophobicContact CG1-CB 4.21Å; V274-E507 WeakPolarHBondContact CG1-O 3.33Å; V274-Y580 WeakPolarHBondContact CG2-OH 3.48Å
275	H	86.3	Confident	79.3	Confident	46 Å²	46	50.7 Å²	50.7	21%	0.213	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-51	-36.2	-179.4	71.5	-89.9	0	0	0	113.5	K272 Q273 D277 Y580 I585	K272-H275 WeakPolarHBondContact O-CB 3.43Å; K272-H275 PolarHBondContact O-N 3.2Å; K272-H275 VanDerWaalsContact O-N 3.14Å; K272-H275 PolarHBondContact O-ND1 3.24Å; Q273-H275 VanDerWaalsContact C-N 3.26Å; Q273-H275 PolarHBondContact O-N 3.37Å; H275-D277 VanDerWaalsContact C-N 3.33Å; H275-D277 PolarHBondContact O-N 2.65Å; H275-Y580 HydrophobicContact CB-CD1 3.8Å; H275-Y580 HydrophobicContact CB-CE1 3.79Å; H275-I585 HydrophobicContact CB-CD1 4.08Å; H275-I585 WeakPolarHBondContact CD2-CD1 3.28Å
276	G	85.4	Confident	81.6	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-76.9	-12.1	178.7	0	0	0	0	0	115	V274 V427 N428	V274-G276 PolarHBondContact O-N 3.04Å; V274-G276 VanDerWaalsContact O-N 3.07Å; G276-V427 CarbonylContact O-C 3.39Å; G276-V427 VanDerWaalsContact O-CA 3.28Å; G276-V427 WeakPolarHBondContact O-CA 3.47Å; G276-N428 PolarHBondContact O-N 3.19Å
277	D	89.8	Confident	83.9	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.011	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-15	-174.5	-69.1	-38.4	0	0	0	114.1	V274 H275 F279 R280 R432 Y509	V274-D277 PolarHBondContact O-N 2.9Å; H275-D277 VanDerWaalsContact C-N 3.33Å; H275-D277 PolarHBondContact O-N 2.65Å; D277-F279 VanDerWaalsContact C-N 3.31Å; D277-F279 PolarHBondContact O-N 3.31Å; D277-R280 WeakPolarHBondContact O-CB 3.18Å; D277-R280 VanDerWaalsContact O-CG 3.29Å; D277-R280 WeakPolarHBondContact O-CG 3.46Å; D277-R280 PolarHBondContact O-N 3.5Å; D277-R280 IonicContact OD1-CZ 2.77Å; D277-R280 IonicContact OD1-NE 3.96Å; D277-R280 PolarHBondContact OD1-NE 3.06Å; D277-R280 IonicContact OD1-NH2 3.38Å; D277-R280 PolarHBondContact OD1-NH2 2.88Å; D277-R432 WeakPolarHBondContact OD2-CB 3.42Å; D277-R432 PolarHBondContact OD2-N 3.25Å; D277-R432 VanDerWaalsContact OD2-N 3.11Å; D277-Y509 HydrophobicContact CB-CD1 3.72Å; D277-Y509 HydrophobicContact CB-CD2 4.14Å; D277-Y509 HydrophobicContact CB-CE1 4.22Å; D277-Y509 HydrophobicContact CB-CG 3.69Å
278	V	90.8	Very high	86.1	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.006	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.1	-176.5	166.7	0	0	0	0	114.2	V274 L504 W511 V576 Y580	V274-V278 HydrophobicContact CB-CG2 4.01Å; V274-V278 HydrophobicContact CG2-CG2 3.63Å; V274-V278 WeakPolarHBondContact O-CG2 3.21Å; V274-V278 PolarHBondContact O-N 2.72Å; V278-L504 HydrophobicContact CG2-CD2 4.12Å; V278-W511 PolarHBondContact O-NE1 2.95Å; V278-V576 HydrophobicContact CG1-CG1 3.39Å; V278-Y580 HydrophobicContact CB-CE2 4.13Å; V278-Y580 HydrophobicContact CG1-CD2 3.9Å; V278-Y580 HydrophobicContact CG1-CE2 3.59Å; V278-Y580 HydrophobicContact CG2-CE1 4.07Å; V278-Y580 HydrophobicContact CG2-CE2 3.76Å; V278-Y580 VanDerWaalsContact CG2-CZ 3.42Å; V278-Y580 WeakPolarHBondContact CG2-OH 3.45Å
279	F	92.2	Very high	88.1	Confident	11 Å²	11	39 Å²	39	5%	0.048	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	13.7	-176.4	-64.6	-67.9	0	0	0	113.8	D277 F423 P424 C425 V427 V576 R577 Y580	D277-F279 VanDerWaalsContact C-N 3.31Å; D277-F279 PolarHBondContact O-N 3.31Å; F279-F423 HydrophobicContact CB-CB 4.05Å; F279-F423 HydrophobicContact CB-CD1 3.55Å; F279-F423 HydrophobicContact CB-CD2 4.29Å; F279-F423 HydrophobicContact CB-CE1 4.01Å; F279-F423 HydrophobicContact CB-CG 3.71Å; F279-F423 AromaticContact CD1-CD1 3.76Å; F279-F423 HydrophobicContact CD1-CD1 3.76Å; F279-F423 HydrophobicContact CD1-CE1 4.39Å; F279-F423 HydrophobicContact CD1-CG 4.5Å; F279-F423 HydrophobicContact CD2-CB 4.31Å; F279-F423 HydrophobicContact CG-CB 4.06Å; F279-F423 AromaticContact CG-CD1 3.8Å; F279-F423 HydrophobicContact CG-CD1 3.8Å; F279-F423 HydrophobicContact CG-CG 4.11Å; F279-P424 HydrophobicContact CE1-CG 4.48Å; F279-P424 HydrophobicContact CE2-CB 4.33Å; F279-P424 HydrophobicContact CE2-CG 4.1Å; F279-P424 HydrophobicContact CZ-CB 4.47Å; F279-P424 HydrophobicContact CZ-CG 3.8Å; F279-C425 HydrophobicContact CD2-CB 4.41Å; F279-C425 HydrophobicContact CE2-CB 4.41Å; F279-V427 HydrophobicContact CB-CG2 3.92Å; F279-V576 HydrophobicContact CE1-CG1 4.09Å; F279-V576 HydrophobicContact CZ-CG1 4.16Å; F279-R577 HydrophobicContact CE1-CG 3.86Å; F279-R577 HydrophobicContact CZ-CG 4.38Å; F279-Y580 HydrophobicContact CE2-CD2 4.34Å; F279-Y580 HydrophobicContact CE2-CG 4.15Å; F279-Y580 HydrophobicContact CZ-CD2 4.2Å; F279-Y580 HydrophobicContact CZ-CG 4.34Å
280	R	91.8	Very high	89.8	Confident	40 Å²	40	31.2 Å²	31.2	15%	0.151	17%	0.165	C	C	.	.	S	Bend	trans	-59.8	152.6	174.2	-75.1	178.8	-178	-89.5	-7.1	111.8	D277 V427 N428 A429 V430 P431 Q512	D277-R280 WeakPolarHBondContact O-CB 3.18Å; D277-R280 VanDerWaalsContact O-CG 3.29Å; D277-R280 WeakPolarHBondContact O-CG 3.46Å; D277-R280 PolarHBondContact O-N 3.5Å; D277-R280 IonicContact OD1-CZ 2.77Å; D277-R280 IonicContact OD1-NE 3.96Å; D277-R280 PolarHBondContact OD1-NE 3.06Å; D277-R280 IonicContact OD1-NH2 3.38Å; D277-R280 PolarHBondContact OD1-NH2 2.88Å; R280-V427 HydrophobicContact CG-CG1 3.61Å; R280-N428 VanDerWaalsContact CZ-O 3.29Å; R280-N428 PolarHBondContact NH1-O 3.46Å; R280-N428 PolarHBondContact NH2-O 3.16Å; R280-A429 PolarHBondContact NH1-O 2.63Å; R280-V430 PolarHBondContact NH2-O 3.36Å; R280-P431 VanDerWaalsContact NH2-CA 3.3Å; R280-P431 VanDerWaalsContact NH2-N 3.17Å; R280-Q512 PolarHBondContact O-NE2 3.37Å; R280-Q512 PolarHBondContact O-OE1 2.93Å
281	P	91.4	Very high	91	Very high	76 Å²	76	32.1 Å²	32.1	49%	0.494	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-55.7	141.3	168.4	-24.7	34.9	0	0	0	111.4	Q347	P281-Q347 HydrophobicContact CB-CB 4.2Å
282	S	92.7	Very high	91.9	Very high	6 Å²	6	31.3 Å²	31.3	4%	0.042	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-64.3	152.5	175.6	56	0	0	0	0	110.9	H284 P285 F288 Q347	S282-H284 PolarHBondContact O-N 3.39Å; S282-P285 WeakPolarHBondContact O-CD 3.32Å; S282-F288 WeakPolarHBondContact OG-CD1 3.38Å; S282-Q347 PolarHBondContact OG-NE2 3.43Å; S282-Q347 PolarHBondContact OG-OE1 2.91Å
283	S	91.1	Very high	92.6	Very high	73 Å²	73	30.1 Å²	30.1	51%	0.51	16%	0.16	S	C	.	.	S	Bend	trans	-53.1	133.2	162.1	-52.6	0	0	0	0	109.6	W513	S283-W513 PolarHBondContact O-NE1 3.17Å
284	H	93.9	Very high	93.4	Very high	139 Å²	139	28 Å²	28	64%	0.644	15%	0.151	S	C	*	.	S	Bend	trans	51	62	-177.8	-53.2	-72.9	0	0	0	114.7	S282 M286 I287 F288	S282-H284 PolarHBondContact O-N 3.39Å; H284-M286 PolarHBondContact O-N 3.12Å; H284-I287 PolarHBondContact O-N 3.21Å; H284-F288 PolarHBondContact O-N 2.9Å
285	P	94.1	Very high	93.9	Very high	38 Å²	38	28 Å²	28	25%	0.247	15%	0.15	C	C	.	.	H	α-helix	trans	-60.6	-25.1	-172.7	25.8	-34.8	0	0	0	114	S282 S289 Y344 Q347	S282-P285 WeakPolarHBondContact O-CD 3.32Å; P285-S289 VanDerWaalsContact O-CB 3.27Å; P285-S289 WeakPolarHBondContact O-CB 3.36Å; P285-S289 PolarHBondContact O-N 3.36Å; P285-S289 PolarHBondContact O-OG 3.12Å; P285-Y344 HydrophobicContact CB-CD2 4.37Å; P285-Y344 HydrophobicContact CB-CE2 4.36Å; P285-Y344 HydrophobicContact CG-CE2 4.41Å; P285-Q347 HydrophobicContact CB-CB 4.25Å
286	M	95.4	Very high	94.4	Very high	39 Å²	39	26.6 Å²	26.6	19%	0.192	15%	0.146	C	C	.	.	H	α-helix	trans	-67.5	-47.8	179.3	-178	176.5	-74.1	0	0	113	H284 S289 S290 Y344 R351 K354 Q355 I358	H284-M286 PolarHBondContact O-N 3.12Å; M286-S289 PolarHBondContact O-OG 3.48Å; M286-S290 WeakPolarHBondContact O-CB 3.44Å; M286-S290 PolarHBondContact O-N 2.7Å; M286-S290 PolarHBondContact O-OG 3.33Å; M286-Y344 HydrophobicContact CB-CE2 3.96Å; M286-R351 HydrophobicContact CE-CB 3.86Å; M286-K354 HydrophobicContact CE-CB 3.75Å; M286-K354 HydrophobicContact SD-CB 4.17Å; M286-Q355 HydrophobicContact CG-CB 4.13Å; M286-Q355 HydrophobicContact CG-CG 4.41Å; M286-I358 HydrophobicContact CG-CD1 3.72Å; M286-I358 HydrophobicContact SD-CD1 3.5Å; M286-I358 VanDerWaalsContact SD-CD1 3.5Å
287	I	95.8	Very high	95	Very high	88 Å²	88	26.6 Å²	26.6	45%	0.451	15%	0.146	S	C	.	.	H	α-helix	trans	-73.2	-43.3	179.6	-63.8	171.3	0	0	0	109.2	H284 S289 S290 L291 W513	H284-I287 PolarHBondContact O-N 3.21Å; I287-S289 PolarHBondContact O-N 3.01Å; I287-S290 PolarHBondContact O-N 3.32Å; I287-L291 HydrophobicContact CG2-CD1 3.85Å; I287-L291 HydrophobicContact CG2-CG 4.27Å; I287-L291 WeakPolarHBondContact O-CG 3.34Å; I287-L291 PolarHBondContact O-N 3.25Å; I287-W513 HydrophobicContact CG2-CH2 4.43Å
288	F	97.1	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56	-54.1	179.1	-173	-107.9	0	0	0	112	S282 H284 S290 L291 I292 L343 Q512 W513 F516 Y569	S282-F288 WeakPolarHBondContact OG-CD1 3.38Å; H284-F288 PolarHBondContact O-N 2.9Å; F288-S290 VanDerWaalsContact C-N 3.3Å; F288-S290 PolarHBondContact O-N 3.16Å; F288-L291 PolarHBondContact O-N 3.32Å; F288-I292 HydrophobicContact CD1-CG1 4.48Å; F288-I292 HydrophobicContact CE1-CG1 4.17Å; F288-I292 HydrophobicContact CE2-CD1 4.5Å; F288-I292 HydrophobicContact CZ-CD1 4.25Å; F288-I292 HydrophobicContact CZ-CG1 4.21Å; F288-I292 WeakPolarHBondContact O-CG1 3.48Å; F288-I292 PolarHBondContact O-N 2.7Å; F288-L343 HydrophobicContact CD1-CD2 4.2Å; F288-L343 HydrophobicContact CE1-CD2 4.04Å; F288-Q512 HydrophobicContact CE1-CB 4.22Å; F288-Q512 HydrophobicContact CZ-CB 3.88Å; F288-W513 HydrophobicContact CB-CH2 4.18Å; F288-W513 HydrophobicContact CB-CZ2 3.62Å; F288-W513 AromaticContact CD2-CD2 3.69Å; F288-W513 HydrophobicContact CD2-CD2 3.69Å; F288-W513 AromaticContact CD2-CE2 3.57Å; F288-W513 AromaticContact CD2-CE3 3.89Å; F288-W513 HydrophobicContact CD2-CE3 3.89Å; F288-W513 HydrophobicContact CD2-CG 4.32Å; F288-W513 AromaticContact CD2-CH2 3.94Å; F288-W513 HydrophobicContact CD2-CH2 3.94Å; F288-W513 AromaticContact CD2-CZ2 3.72Å; F288-W513 HydrophobicContact CD2-CZ2 3.72Å; F288-W513 HydrophobicContact CD2-CZ3 4Å; F288-W513 HydrophobicContact CE2-CD2 4.14Å; F288-W513 HydrophobicContact CE2-CE3 4.28Å; F288-W513 HydrophobicContact CE2-CG 4.46Å; F288-W513 HydrophobicContact CG-CZ2 4.12Å; F288-F516 HydrophobicContact CE2-CB 3.96Å; F288-F516 HydrophobicContact CE2-CG 4.35Å; F288-Y569 HydrophobicContact CE1-CD2 4.22Å; F288-Y569 HydrophobicContact CE1-CE1 4.26Å; F288-Y569 AromaticContact CE1-CE2 3.75Å; F288-Y569 HydrophobicContact CE1-CE2 3.75Å; F288-Y569 AromaticContact CE1-CZ 3.76Å; F288-Y569 HydrophobicContact CZ-CD1 4.5Å; F288-Y569 AromaticContact CZ-CD2 3.59Å; F288-Y569 HydrophobicContact CZ-CD2 3.59Å; F288-Y569 HydrophobicContact CZ-CE1 4.47Å; F288-Y569 AromaticContact CZ-CE2 3.55Å; F288-Y569 HydrophobicContact CZ-CE2 3.55Å; F288-Y569 HydrophobicContact CZ-CG 4.07Å
289	S	96.8	Very high	95.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-36.8	177.9	54.2	0	0	0	0	113.4	P285 M286 I287 I292 G293 G340	P285-S289 VanDerWaalsContact O-CB 3.27Å; P285-S289 WeakPolarHBondContact O-CB 3.36Å; P285-S289 PolarHBondContact O-N 3.36Å; P285-S289 PolarHBondContact O-OG 3.12Å; M286-S289 PolarHBondContact O-OG 3.48Å; I287-S289 PolarHBondContact O-N 3.01Å; S289-I292 PolarHBondContact O-N 2.96Å; S289-G293 PolarHBondContact O-N 3.42Å; S289-G340 WeakPolarHBondContact CB-O 3.48Å; S289-G340 VanDerWaalsContact O-CA 3.26Å; S289-G340 WeakPolarHBondContact O-CA 3.3Å
290	S	97.3	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.5	-36.8	177.3	-54.7	0	0	0	0	112.5	M286 I287 F288 S294 Q355	M286-S290 WeakPolarHBondContact O-CB 3.44Å; M286-S290 PolarHBondContact O-N 2.7Å; M286-S290 PolarHBondContact O-OG 3.33Å; I287-S290 PolarHBondContact O-N 3.32Å; F288-S290 VanDerWaalsContact C-N 3.3Å; F288-S290 PolarHBondContact O-N 3.16Å; S290-S294 WeakPolarHBondContact O-CB 3.26Å; S290-S294 PolarHBondContact O-N 3.32Å; S290-S294 PolarHBondContact O-OG 3.41Å; S290-Q355 PolarHBondContact OG-NE2 3.26Å; S290-Q355 VanDerWaalsContact OG-NE2 3.17Å; S290-Q355 PolarHBondContact OG-O 3.48Å
291	L	97.9	Very high	96.2	Very high	25 Å²	25	30 Å²	30	13%	0.131	17%	0.167	C	C	.	.	H	α-helix	trans	-66.2	-42.5	173.7	-74.6	168.3	0	0	0	111.7	I287 F288 S294 G295 L362 W513 F516 I562	I287-L291 HydrophobicContact CG2-CD1 3.85Å; I287-L291 HydrophobicContact CG2-CG 4.27Å; I287-L291 WeakPolarHBondContact O-CG 3.34Å; I287-L291 PolarHBondContact O-N 3.25Å; F288-L291 PolarHBondContact O-N 3.32Å; L291-S294 PolarHBondContact O-N 3.27Å; L291-G295 PolarHBondContact O-N 3.15Å; L291-L362 HydrophobicContact CD2-CD2 3.7Å; L291-L362 HydrophobicContact CG-CD2 4.34Å; L291-W513 HydrophobicContact CD1-CH2 3.91Å; L291-W513 HydrophobicContact CD1-CZ3 4.03Å; L291-F516 HydrophobicContact CB-CE2 4.14Å; L291-F516 HydrophobicContact CB-CZ 3.88Å; L291-F516 HydrophobicContact CD1-CE1 4.17Å; L291-F516 HydrophobicContact CD1-CZ 4.21Å; L291-F516 HydrophobicContact CD2-CZ 4.46Å; L291-F516 HydrophobicContact CG-CZ 4.43Å; L291-I562 HydrophobicContact CD2-CD1 4.05Å; L291-I562 HydrophobicContact CD2-CG1 4.02Å; L291-I562 WeakPolarHBondContact O-CG2 3.44Å
292	I	98.1	Very high	96.4	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-46.8	175.9	-62.3	-57.3	0	0	0	111	F288 S289 S294 G295 C296 L343 F516 A566 Y569	F288-I292 HydrophobicContact CD1-CG1 4.48Å; F288-I292 HydrophobicContact CE1-CG1 4.17Å; F288-I292 HydrophobicContact CE2-CD1 4.5Å; F288-I292 HydrophobicContact CZ-CD1 4.25Å; F288-I292 HydrophobicContact CZ-CG1 4.21Å; F288-I292 WeakPolarHBondContact O-CG1 3.48Å; F288-I292 PolarHBondContact O-N 2.7Å; S289-I292 PolarHBondContact O-N 2.96Å; I292-S294 PolarHBondContact O-N 2.62Å; I292-G295 PolarHBondContact O-N 3.05Å; I292-C296 PolarHBondContact O-N 3.17Å; I292-C296 PolarHBondContact O-SG 3.35Å; I292-C296 VanDerWaalsContact O-SG 3.4Å; I292-L343 HydrophobicContact CB-CD2 4.03Å; I292-L343 HydrophobicContact CG1-CD2 3.86Å; I292-L343 HydrophobicContact CG2-CD2 4.09Å; I292-F516 HydrophobicContact CD1-CD2 3.48Å; I292-F516 VanDerWaalsContact CD1-CD2 3.48Å; I292-F516 HydrophobicContact CD1-CE2 3.92Å; I292-A566 HydrophobicContact CD1-CB 4.37Å; I292-Y569 HydrophobicContact CD1-CD1 3.5Å; I292-Y569 VanDerWaalsContact CD1-CD1 3.5Å; I292-Y569 HydrophobicContact CD1-CE1 4.35Å; I292-Y569 HydrophobicContact CD1-CG 3.67Å; I292-Y569 HydrophobicContact CG1-CD1 3.87Å; I292-Y569 HydrophobicContact CG1-CE1 4.26Å; I292-Y569 HydrophobicContact CG1-CG 4.41Å; I292-Y569 HydrophobicContact CG2-CD1 4.15Å; I292-Y569 HydrophobicContact CG2-CE1 4.48Å
293	G	97.6	Very high	96.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.1	-49	175.4	0	0	0	0	0	112.3	S289 G295 C296 Q297 N336	S289-G293 PolarHBondContact O-N 3.42Å; G293-G295 VanDerWaalsContact C-N 3.34Å; G293-G295 PolarHBondContact O-N 3.23Å; G293-C296 PolarHBondContact O-N 3.19Å; G293-Q297 PolarHBondContact O-N 3.03Å; G293-N336 WeakPolarHBondContact O-CA 3.49Å
294	S	98	Very high	96.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-40.6	178	-58.2	0	0	0	0	112	S290 L291 I292 Q297 I298 N336	S290-S294 WeakPolarHBondContact O-CB 3.26Å; S290-S294 PolarHBondContact O-N 3.32Å; S290-S294 PolarHBondContact O-OG 3.41Å; L291-S294 PolarHBondContact O-N 3.27Å; I292-S294 PolarHBondContact O-N 2.62Å; S294-Q297 WeakPolarHBondContact O-CB 3.42Å; S294-Q297 PolarHBondContact O-N 2.89Å; S294-I298 VanDerWaalsContact O-CG1 3.28Å; S294-I298 WeakPolarHBondContact O-CG1 3.47Å; S294-I298 PolarHBondContact O-N 3.48Å; S294-N336 PolarHBondContact N-OD1 3.42Å
295	G	97.9	Very high	96.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.9	-38.3	178.7	0	0	0	0	0	113.6	L291 I292 G293 Q297 I298 F299 I562	L291-G295 PolarHBondContact O-N 3.15Å; I292-G295 PolarHBondContact O-N 3.05Å; G293-G295 VanDerWaalsContact C-N 3.34Å; G293-G295 PolarHBondContact O-N 3.23Å; G295-Q297 VanDerWaalsContact C-N 3.31Å; G295-Q297 PolarHBondContact O-N 3.5Å; G295-I298 PolarHBondContact O-N 3.46Å; G295-F299 WeakPolarHBondContact O-CB 3.13Å; G295-F299 PolarHBondContact O-N 3.02Å; G295-I562 WeakPolarHBondContact CA-O 3.45Å
296	C	98.1	Very high	96.6	Very high	17 Å²	17	24.7 Å²	24.7	12%	0.115	13%	0.131	C	C	.	.	H	α-helix	trans	-63.8	-37	171.5	-69.2	0	0	0	0	112	I292 G293 S300 V335 F339	I292-C296 PolarHBondContact O-N 3.17Å; I292-C296 PolarHBondContact O-SG 3.35Å; I292-C296 VanDerWaalsContact O-SG 3.4Å; G293-C296 PolarHBondContact O-N 3.19Å; C296-S300 PolarHBondContact O-N 3.46Å; C296-S300 PolarHBondContact O-OG 3.06Å; C296-V335 HydrophobicContact CB-CG1 4.24Å; C296-F339 HydrophobicContact CB-CB 4.22Å; C296-F339 HydrophobicContact CB-CD2 3.74Å; C296-F339 HydrophobicContact CB-CE2 4.28Å; C296-F339 HydrophobicContact CB-CG 3.97Å
297	Q	98	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-51.1	173.8	-174	-171.1	5.9	0	0	111.3	G293 S294 G295 F299 S300 V301 Y329 N336	G293-Q297 PolarHBondContact O-N 3.03Å; S294-Q297 WeakPolarHBondContact O-CB 3.42Å; S294-Q297 PolarHBondContact O-N 2.89Å; G295-Q297 VanDerWaalsContact C-N 3.31Å; G295-Q297 PolarHBondContact O-N 3.5Å; Q297-F299 VanDerWaalsContact C-N 3.25Å; Q297-F299 PolarHBondContact O-N 3.07Å; Q297-S300 CarbonylContact O-C 3.58Å; Q297-S300 WeakPolarHBondContact O-CA 3.34Å; Q297-S300 WeakPolarHBondContact O-CB 3.12Å; Q297-S300 PolarHBondContact O-N 3.37Å; Q297-V301 HydrophobicContact CG-CG2 4.38Å; Q297-V301 WeakPolarHBondContact O-CG2 3.4Å; Q297-V301 PolarHBondContact O-N 2.83Å; Q297-Y329 HydrophobicContact CG-CE2 4.42Å; Q297-Y329 PolarHBondContact NE2-O 3.34Å; Q297-Y329 PolarHBondContact OE1-OH 2.8Å; Q297-N336 HydrophobicContact CB-CB 3.89Å; Q297-N336 HydrophobicContact CG-CB 4.3Å; Q297-N336 VanDerWaalsContact OE1-CB 3.26Å; Q297-N336 PolarHBondContact OE1-ND2 2.79Å
298	I	97.8	Very high	96.2	Very high	16 Å²	16	23.1 Å²	23.1	8%	0.082	12%	0.124	C	C	.	.	H	α-helix	trans	-58.4	-39.3	178.6	-67.4	165.1	0	0	0	111.1	S294 G295 V301 S302 I363 I562 M563	S294-I298 VanDerWaalsContact O-CG1 3.28Å; S294-I298 WeakPolarHBondContact O-CG1 3.47Å; S294-I298 PolarHBondContact O-N 3.48Å; G295-I298 PolarHBondContact O-N 3.46Å; I298-V301 PolarHBondContact O-N 3.44Å; I298-S302 WeakPolarHBondContact O-CB 3.45Å; I298-S302 PolarHBondContact O-N 2.97Å; I298-S302 PolarHBondContact O-OG 3.18Å; I298-I363 HydrophobicContact CD1-CD1 3.86Å; I298-I363 HydrophobicContact CD1-CG1 4.1Å; I298-I562 HydrophobicContact CD1-CB 4.33Å; I298-I562 HydrophobicContact CD1-CG2 4.16Å; I298-M563 HydrophobicContact CB-CB 4.37Å; I298-M563 HydrophobicContact CG2-CB 3.9Å; I298-M563 HydrophobicContact CG2-CG 4.28Å; I298-M563 HydrophobicContact CG2-SD 4.22Å
299	F	97.8	Very high	95.8	Very high	63 Å²	63	23.3 Å²	23.3	28%	0.276	13%	0.126	S	C	.	.	H	α-helix	trans	-60.2	-47.6	173.2	178.2	-103.1	0	0	0	111.7	G295 Q297 V301 S302 F303 L485 C489 M563 V567	G295-F299 WeakPolarHBondContact O-CB 3.13Å; G295-F299 PolarHBondContact O-N 3.02Å; Q297-F299 VanDerWaalsContact C-N 3.25Å; Q297-F299 PolarHBondContact O-N 3.07Å; F299-V301 VanDerWaalsContact C-N 3.35Å; F299-V301 PolarHBondContact O-N 3.26Å; F299-S302 PolarHBondContact O-N 2.89Å; F299-F303 WeakPolarHBondContact O-CB 3.22Å; F299-F303 PolarHBondContact O-N 2.85Å; F299-L485 HydrophobicContact CE2-CD1 4.34Å; F299-L485 HydrophobicContact CE2-CD2 4.35Å; F299-L485 HydrophobicContact CE2-CG 4.32Å; F299-C489 WeakPolarHBondContact CE2-SG 3.35Å; F299-M563 HydrophobicContact CB-CG 3.86Å; F299-M563 HydrophobicContact CB-SD 4.27Å; F299-M563 HydrophobicContact CD2-CG 4.33Å; F299-M563 HydrophobicContact CD2-SD 4.18Å; F299-V567 HydrophobicContact CD2-CG2 4.11Å; F299-V567 HydrophobicContact CG-CG2 4.38Å
300	S	97.5	Very high	95.3	Very high	28 Å²	28	28 Å²	28	20%	0.196	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-40.9	178.8	-55.8	0	0	0	0	111.9	C296 Q297 F303 I304	C296-S300 PolarHBondContact O-N 3.46Å; C296-S300 PolarHBondContact O-OG 3.06Å; Q297-S300 CarbonylContact O-C 3.58Å; Q297-S300 WeakPolarHBondContact O-CA 3.34Å; Q297-S300 WeakPolarHBondContact O-CB 3.12Å; Q297-S300 PolarHBondContact O-N 3.37Å; S300-F303 PolarHBondContact O-N 3.45Å; S300-I304 WeakPolarHBondContact O-CB 3.38Å; S300-I304 WeakPolarHBondContact O-CD1 3.37Å; S300-I304 VanDerWaalsContact O-CG1 3.24Å; S300-I304 WeakPolarHBondContact O-CG1 3.14Å; S300-I304 PolarHBondContact O-N 3.14Å
301	V	96.9	Very high	94.8	Very high	18 Å²	18	34.4 Å²	34.4	11%	0.109	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-50.2	175.6	174.5	0	0	0	0	110.6	Q297 I298 F299 F303 I304 V305 V328 Y329 T332	Q297-V301 HydrophobicContact CG-CG2 4.38Å; Q297-V301 WeakPolarHBondContact O-CG2 3.4Å; Q297-V301 PolarHBondContact O-N 2.83Å; I298-V301 PolarHBondContact O-N 3.44Å; F299-V301 VanDerWaalsContact C-N 3.35Å; F299-V301 PolarHBondContact O-N 3.26Å; V301-F303 VanDerWaalsContact C-N 3.31Å; V301-F303 PolarHBondContact O-N 3.41Å; V301-I304 PolarHBondContact O-N 3.47Å; V301-V305 HydrophobicContact CG1-CG2 4.05Å; V301-V305 WeakPolarHBondContact O-CB 3.21Å; V301-V305 VanDerWaalsContact O-CG2 3.26Å; V301-V305 WeakPolarHBondContact O-CG2 3.42Å; V301-V305 PolarHBondContact O-N 3.06Å; V301-V328 HydrophobicContact CB-CG1 4.43Å; V301-V328 HydrophobicContact CG1-CG1 4.26Å; V301-V328 HydrophobicContact CG2-CG1 4.32Å; V301-Y329 HydrophobicContact CG2-CD2 4Å; V301-Y329 HydrophobicContact CG2-CG 4.49Å; V301-T332 HydrophobicContact CG2-CG2 4.43Å; V301-T332 WeakPolarHBondContact CG2-OG1 3.37Å
302	S	94.9	Very high	94	Very high	37 Å²	37	38.3 Å²	38.3	26%	0.259	20%	0.2	S	C	.	.	H	α-helix	trans	-57.3	-46	178.7	-56.1	0	0	0	0	111.2	I298 F299 I306	I298-S302 WeakPolarHBondContact O-CB 3.45Å; I298-S302 PolarHBondContact O-N 2.97Å; I298-S302 PolarHBondContact O-OG 3.18Å; F299-S302 PolarHBondContact O-N 2.89Å; S302-I306 WeakPolarHBondContact O-CB 3Å; S302-I306 WeakPolarHBondContact O-CD1 3.14Å; S302-I306 WeakPolarHBondContact O-CG1 3.33Å; S302-I306 PolarHBondContact O-N 3.36Å
303	F	95.6	Very high	93.1	Very high	79 Å²	79	42.5 Å²	42.5	35%	0.346	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-47.8	178.5	178.7	-96.4	0	0	0	112.7	F299 S300 V301 I307 M482 L485	F299-F303 WeakPolarHBondContact O-CB 3.22Å; F299-F303 PolarHBondContact O-N 2.85Å; S300-F303 PolarHBondContact O-N 3.45Å; V301-F303 VanDerWaalsContact C-N 3.31Å; V301-F303 PolarHBondContact O-N 3.41Å; F303-I307 HydrophobicContact CD1-CD1 3.76Å; F303-I307 HydrophobicContact CD2-CD1 4.41Å; F303-I307 HydrophobicContact CE1-CD1 3.29Å; F303-I307 HydrophobicContact CE2-CD1 4.04Å; F303-I307 HydrophobicContact CG-CD1 4.31Å; F303-I307 HydrophobicContact CZ-CD1 3.45Å; F303-I307 VanDerWaalsContact CZ-CD1 3.45Å; F303-I307 WeakPolarHBondContact O-CG1 3.41Å; F303-I307 PolarHBondContact O-N 3.04Å; F303-I307 VanDerWaalsContact O-N 3.12Å; F303-M482 HydrophobicContact CD2-CE 3.59Å; F303-M482 HydrophobicContact CD2-SD 4.16Å; F303-M482 HydrophobicContact CE2-CE 3.23Å; F303-M482 HydrophobicContact CE2-SD 4.34Å; F303-M482 HydrophobicContact CZ-CE 4.26Å; F303-L485 HydrophobicContact CB-CD2 4.37Å
304	I	95.3	Very high	92.2	Very high	62 Å²	62	42.8 Å²	42.8	32%	0.318	22%	0.224	S	C	.	.	H	α-helix	trans	-68	-45.4	-178.8	-67.4	166.2	0	0	0	110.9	S300 V301 I306 I307 V308 V328 T332	S300-I304 WeakPolarHBondContact O-CB 3.38Å; S300-I304 WeakPolarHBondContact O-CD1 3.37Å; S300-I304 VanDerWaalsContact O-CG1 3.24Å; S300-I304 WeakPolarHBondContact O-CG1 3.14Å; S300-I304 PolarHBondContact O-N 3.14Å; V301-I304 PolarHBondContact O-N 3.47Å; I304-I306 VanDerWaalsContact C-N 3.33Å; I304-I306 PolarHBondContact O-N 3.15Å; I304-I307 PolarHBondContact O-N 3.43Å; I304-I307 VanDerWaalsContact O-N 3.14Å; I304-V308 HydrophobicContact CG2-CG2 4.23Å; I304-V308 WeakPolarHBondContact O-CG2 3.31Å; I304-V308 PolarHBondContact O-N 3.34Å; I304-V328 HydrophobicContact CB-CG1 3.81Å; I304-V328 HydrophobicContact CD1-CG1 4.3Å; I304-V328 HydrophobicContact CG2-CG1 3.66Å; I304-V328 HydrophobicContact CG2-CG2 3.95Å; I304-T332 HydrophobicContact CD1-CG2 3.69Å
305	V	92.8	Very high	91.3	Very high	30 Å²	30	44.5 Å²	44.5	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-41	179.8	171.6	0	0	0	0	111	V301 I307 V308 A309 A325 V328	V301-V305 HydrophobicContact CG1-CG2 4.05Å; V301-V305 WeakPolarHBondContact O-CB 3.21Å; V301-V305 VanDerWaalsContact O-CG2 3.26Å; V301-V305 WeakPolarHBondContact O-CG2 3.42Å; V301-V305 PolarHBondContact O-N 3.06Å; V305-I307 VanDerWaalsContact C-N 3.33Å; V305-I307 PolarHBondContact O-N 3.13Å; V305-V308 PolarHBondContact O-N 3.1Å; V305-A309 VanDerWaalsContact O-CB 3.25Å; V305-A309 WeakPolarHBondContact O-CB 3.17Å; V305-A309 PolarHBondContact O-N 3.07Å; V305-A325 HydrophobicContact CG2-CB 4.32Å; V305-V328 HydrophobicContact CG2-CB 4.11Å; V305-V328 HydrophobicContact CG2-CG1 4.14Å; V305-V328 HydrophobicContact CG2-CG2 4.26Å
306	I	92.1	Very high	90.4	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-41.2	175.2	-69.6	167.4	0	0	0	110.9	S302 I304 A309 M310 M481 M482 L485	S302-I306 WeakPolarHBondContact O-CB 3Å; S302-I306 WeakPolarHBondContact O-CD1 3.14Å; S302-I306 WeakPolarHBondContact O-CG1 3.33Å; S302-I306 PolarHBondContact O-N 3.36Å; I304-I306 VanDerWaalsContact C-N 3.33Å; I304-I306 PolarHBondContact O-N 3.15Å; I306-A309 PolarHBondContact O-N 3.33Å; I306-M310 HydrophobicContact CG2-SD 4.32Å; I306-M310 VanDerWaalsContact O-CG 3.27Å; I306-M310 WeakPolarHBondContact O-CG 3.43Å; I306-M310 PolarHBondContact O-N 3.43Å; I306-M481 HydrophobicContact CD1-CG 3.93Å; I306-M481 HydrophobicContact CD1-SD 3.76Å; I306-M481 HydrophobicContact CG1-CG 4.36Å; I306-M481 HydrophobicContact CG1-SD 3.7Å; I306-M482 HydrophobicContact CG2-CB 3.7Å; I306-M482 HydrophobicContact CG2-CG 4.36Å; I306-M482 HydrophobicContact CG2-SD 4.14Å; I306-L485 HydrophobicContact CD1-CD2 4.01Å
307	I	91.4	Very high	89.5	Confident	59 Å²	59	50.9 Å²	50.9	30%	0.303	26%	0.261	S	S	.	.	H	α-helix	trans	-65.6	-44.4	177.3	-72	171.3	0	0	0	111.5	F303 I304 V305 A309 M310 I311	F303-I307 HydrophobicContact CD1-CD1 3.76Å; F303-I307 HydrophobicContact CD2-CD1 4.41Å; F303-I307 HydrophobicContact CE1-CD1 3.29Å; F303-I307 HydrophobicContact CE2-CD1 4.04Å; F303-I307 HydrophobicContact CG-CD1 4.31Å; F303-I307 HydrophobicContact CZ-CD1 3.45Å; F303-I307 VanDerWaalsContact CZ-CD1 3.45Å; F303-I307 WeakPolarHBondContact O-CG1 3.41Å; F303-I307 PolarHBondContact O-N 3.04Å; F303-I307 VanDerWaalsContact O-N 3.12Å; I304-I307 PolarHBondContact O-N 3.43Å; I304-I307 VanDerWaalsContact O-N 3.14Å; V305-I307 VanDerWaalsContact C-N 3.33Å; V305-I307 PolarHBondContact O-N 3.13Å; I307-A309 VanDerWaalsContact C-N 3.34Å; I307-M310 WeakPolarHBondContact O-CB 3.35Å; I307-M310 PolarHBondContact O-N 3.5Å; I307-M310 VanDerWaalsContact O-N 3.15Å; I307-I311 HydrophobicContact CG2-CD1 3.83Å; I307-I311 WeakPolarHBondContact O-CG1 3.28Å; I307-I311 PolarHBondContact O-N 3.32Å; I307-I311 VanDerWaalsContact O-N 3.16Å
308	V	90.8	Very high	88.5	Confident	34 Å²	34	52.6 Å²	52.6	21%	0.206	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-45.2	176.8	177.9	0	0	0	0	109.7	I304 V305 M310 I311 E312 L314 T324	I304-V308 HydrophobicContact CG2-CG2 4.23Å; I304-V308 WeakPolarHBondContact O-CG2 3.31Å; I304-V308 PolarHBondContact O-N 3.34Å; V305-V308 PolarHBondContact O-N 3.1Å; V308-M310 PolarHBondContact O-N 2.85Å; V308-M310 VanDerWaalsContact O-N 3.16Å; V308-I311 PolarHBondContact O-N 3.43Å; V308-E312 PolarHBondContact O-N 3.44Å; V308-L314 HydrophobicContact CG1-CD1 4.07Å; V308-L314 HydrophobicContact CG1-CD2 4.36Å; V308-T324 HydrophobicContact CG1-CG2 4.12Å
309	A	88.5	Confident	87.5	Confident	4 Å²	4	52 Å²	52	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-18.4	175.6	0	0	0	0	0	114.6	V305 I306 I307 E312 L314 Y478	V305-A309 VanDerWaalsContact O-CB 3.25Å; V305-A309 WeakPolarHBondContact O-CB 3.17Å; V305-A309 PolarHBondContact O-N 3.07Å; I306-A309 PolarHBondContact O-N 3.33Å; I307-A309 VanDerWaalsContact C-N 3.34Å; A309-E312 CarbonylContact C-O 3.58Å; A309-E312 VanDerWaalsContact O-O 3.11Å; A309-L314 HydrophobicContact CB-CD1 3.87Å; A309-Y478 HydrophobicContact CB-CD1 3.71Å; A309-Y478 HydrophobicContact CB-CD2 4.02Å; A309-Y478 HydrophobicContact CB-CE1 3.82Å; A309-Y478 HydrophobicContact CB-CE2 4.11Å; A309-Y478 HydrophobicContact CB-CG 3.81Å; A309-Y478 WeakPolarHBondContact O-CD2 3.06Å
310	M	86.8	Confident	86.8	Confident	100 Å²	100	49.7 Å²	49.7	49%	0.493	26%	0.257	S	S	.	.	H	α-helix	trans	-86	-25.2	172.7	-76.1	178.7	66.5	0	0	113	I306 I307 V308 M482	I306-M310 HydrophobicContact CG2-SD 4.32Å; I306-M310 VanDerWaalsContact O-CG 3.27Å; I306-M310 WeakPolarHBondContact O-CG 3.43Å; I306-M310 PolarHBondContact O-N 3.43Å; I307-M310 WeakPolarHBondContact O-CB 3.35Å; I307-M310 PolarHBondContact O-N 3.5Å; I307-M310 VanDerWaalsContact O-N 3.15Å; V308-M310 PolarHBondContact O-N 2.85Å; V308-M310 VanDerWaalsContact O-N 3.16Å; M310-M482 HydrophobicContact SD-CB 4.05Å; M310-M482 HydrophobicContact SD-CG 4.42Å
311	I	86.8	Confident	86.3	Confident	133 Å²	133	51.6 Å²	51.6	68%	0.682	26%	0.264	S	S	*	.	H	α-helix	trans	-92	-39.8	-178.3	-65.4	169	0	0	0	110.2	I307 V308	I307-I311 HydrophobicContact CG2-CD1 3.83Å; I307-I311 WeakPolarHBondContact O-CG1 3.28Å; I307-I311 PolarHBondContact O-N 3.32Å; I307-I311 VanDerWaalsContact O-N 3.16Å; V308-I311 PolarHBondContact O-N 3.43Å
312	E	82.1	Confident	85.8	Confident	108 Å²	108	53.6 Å²	53.6	51%	0.505	27%	0.274	S	S	.	.	S	Bend	trans	-113.1	136.2	-179	-66.6	176.7	-176.4	0	0	109.4	V308 A309 L314	V308-E312 PolarHBondContact O-N 3.44Å; A309-E312 CarbonylContact C-O 3.58Å; A309-E312 VanDerWaalsContact O-O 3.11Å; E312-L314 HydrophobicContact CB-CD2 4.15Å; E312-L314 HydrophobicContact CB-CG 4.25Å; E312-L314 PolarHBondContact O-N 3.44Å
313	D	77.9	Confident	85.5	Confident	91 Å²	91	53.9 Å²	53.9	49%	0.487	28%	0.276	S	S	.	.			trans	-77.4	66.5	174.8	-66.1	-48	0	0	0	110.4	Y315 T316	D313-Y315 HydrophobicContact CB-CD1 4.21Å; D313-Y315 HydrophobicContact CB-CE1 3.66Å; D313-Y315 PolarHBondContact O-N 2.81Å; D313-Y315 WeakPolarHBondContact OD1-CE1 3.43Å; D313-T316 HydrophobicContact CB-CG2 3.84Å; D313-T316 WeakPolarHBondContact O-CB 3.42Å; D313-T316 WeakPolarHBondContact O-CG2 3.35Å; D313-T316 PolarHBondContact O-N 2.83Å; D313-T316 PolarHBondContact O-OG1 3.33Å
314	L	79.8	Confident	85.2	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.037	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-8.4	-177.1	-65.7	177.2	0	0	0	114.4	V308 A309 E312 M321 T324	V308-L314 HydrophobicContact CG1-CD1 4.07Å; V308-L314 HydrophobicContact CG1-CD2 4.36Å; A309-L314 HydrophobicContact CB-CD1 3.87Å; E312-L314 HydrophobicContact CB-CD2 4.15Å; E312-L314 HydrophobicContact CB-CG 4.25Å; E312-L314 PolarHBondContact O-N 3.44Å; L314-M321 HydrophobicContact CB-CE 4.45Å; L314-M321 HydrophobicContact CB-CG 3.75Å; L314-M321 HydrophobicContact CD1-CG 4.45Å; L314-T324 HydrophobicContact CD1-CG2 4.35Å
315	Y	79.7	Confident	85.1	Confident	35 Å²	35	49.8 Å²	49.8	14%	0.137	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.9	175	63.5	-95.7	0	0	0	113.8	F205 L209 D313 M321 I474 Y478	F205-Y315 HydrophobicContact CB-CD2 4.29Å; F205-Y315 HydrophobicContact CB-CE2 3.77Å; F205-Y315 HydrophobicContact CG-CE2 4.39Å; L209-Y315 HydrophobicContact CD1-CE2 4.39Å; L209-Y315 HydrophobicContact CD2-CD2 4.37Å; L209-Y315 HydrophobicContact CD2-CE2 4.21Å; D313-Y315 HydrophobicContact CB-CD1 4.21Å; D313-Y315 HydrophobicContact CB-CE1 3.66Å; D313-Y315 PolarHBondContact O-N 2.81Å; D313-Y315 WeakPolarHBondContact OD1-CE1 3.43Å; Y315-M321 VanDerWaalsContact CA-CE 3.46Å; Y315-I474 HydrophobicContact CD2-CG2 4.26Å; Y315-I474 HydrophobicContact CG-CG2 4.03Å; Y315-Y478 HydrophobicContact CD1-CE2 4.32Å
316	T	78.5	Confident	85	Confident	39 Å²	39	50.5 Å²	50.5	24%	0.239	27%	0.266	C	S	.	.	S	Bend	trans	-76.2	-35.7	-179.4	56.1	0	0	0	0	112.1	F205 D313	F205-T316 HydrophobicContact CD2-CG2 3.76Å; F205-T316 HydrophobicContact CE2-CG2 4.18Å; F205-T316 HydrophobicContact CG-CG2 4.24Å; F205-T316 WeakPolarHBondContact CZ-O 3.49Å; D313-T316 HydrophobicContact CB-CG2 3.84Å; D313-T316 WeakPolarHBondContact O-CB 3.42Å; D313-T316 WeakPolarHBondContact O-CG2 3.35Å; D313-T316 PolarHBondContact O-N 2.83Å; D313-T316 PolarHBondContact O-OG1 3.33Å
317	E	78.5	Confident	85	Confident	113 Å²	113	56.7 Å²	56.7	53%	0.528	29%	0.292	S	S	.	.	S	Bend	trans	-98.2	141.2	178.9	-71.8	179.5	-176.2	0	0	112.5	G319	E317-G319 PolarHBondContact O-N 3.47Å
318	R	76.3	Confident	85.2	Confident	35 Å²	35	54.5 Å²	54.5	13%	0.132	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	132	178.4	-62.2	-174.1	-60.8	-122.6	-9.7	110.8	Y73 E79 Y130 D133 S320	Y73-R318 PolarHBondContact OH-NH2 3Å; E79-R318 HydrophobicContact CG-CB 3.96Å; E79-R318 VanDerWaalsContact OE1-CB 3.3Å; E79-R318 WeakPolarHBondContact OE1-CB 3.18Å; E79-R318 IonicContact OE1-CZ 3.57Å; E79-R318 IonicContact OE1-NE 3.98Å; E79-R318 PolarHBondContact OE1-NE 3.43Å; E79-R318 IonicContact OE1-NH2 3.13Å; E79-R318 PolarHBondContact OE1-NH2 2.67Å; Y130-R318 HydrophobicContact CE1-CG 4.42Å; D133-R318 IonicContact OD1-CZ 2.68Å; D133-R318 IonicContact OD1-NE 3.75Å; D133-R318 IonicContact OD1-NH1 2.72Å; D133-R318 PolarHBondContact OD1-NH1 2.81Å; D133-R318 IonicContact OD1-NH2 3.13Å; D133-R318 PolarHBondContact OD1-NH2 3.37Å; D133-R318 VanDerWaalsContact OD1-NH2 3.13Å; R318-S320 PolarHBondContact O-N 2.95Å
319	G	77.8	Confident	85.4	Confident	5 Å²	5	54.5 Å²	54.5	5%	0.052	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	-2.6	176.5	0	0	0	0	0	116.2	E317 M321 L322 S323	E317-G319 PolarHBondContact O-N 3.47Å; G319-M321 PolarHBondContact O-N 3.12Å; G319-L322 PolarHBondContact O-N 2.81Å; G319-S323 PolarHBondContact O-N 3.42Å; G319-S323 PolarHBondContact O-OG 3.41Å
320	S	83.9	Confident	85.8	Confident	13 Å²	13	54.7 Å²	54.7	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-38.1	-172.4	-175.8	0	0	0	0	113.6	R318 L322 S323 T324	R318-S320 PolarHBondContact O-N 2.95Å; S320-L322 VanDerWaalsContact C-N 3.33Å; S320-L322 PolarHBondContact O-N 3.16Å; S320-S323 WeakPolarHBondContact CA-OG 3.49Å; S320-S323 PolarHBondContact O-OG 2.6Å; S320-T324 WeakPolarHBondContact O-CB 3.18Å; S320-T324 PolarHBondContact O-N 2.87Å; S320-T324 PolarHBondContact O-OG1 3.04Å
321	M	85.6	Confident	86.2	Confident	69 Å²	69	52.6 Å²	52.6	34%	0.34	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-39.9	173.4	-66.9	-173.4	-152	0	0	113	L314 Y315 G319 A325 Y478	L314-M321 HydrophobicContact CB-CE 4.45Å; L314-M321 HydrophobicContact CB-CG 3.75Å; L314-M321 HydrophobicContact CD1-CG 4.45Å; Y315-M321 VanDerWaalsContact CA-CE 3.46Å; G319-M321 PolarHBondContact O-N 3.12Å; M321-A325 VanDerWaalsContact O-CB 3.31Å; M321-A325 WeakPolarHBondContact O-CB 3.49Å; M321-A325 PolarHBondContact O-N 2.9Å; M321-Y478 WeakPolarHBondContact CE-OH 3.19Å; M321-Y478 PolarHBondContact SD-OH 3.39Å
322	L	87.7	Confident	86.7	Confident	59 Å²	59	46.9 Å²	46.9	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-73.6	-44.7	-177.6	-178.9	64	0	0	0	110.9	L81 Q82 G319 S320 A325 I326	L81-L322 HydrophobicContact CB-CD2 3.63Å; L81-L322 HydrophobicContact CD1-CD2 4.15Å; Q82-L322 HydrophobicContact CG-CD2 4.05Å; G319-L322 PolarHBondContact O-N 2.81Å; S320-L322 VanDerWaalsContact C-N 3.33Å; S320-L322 PolarHBondContact O-N 3.16Å; L322-A325 PolarHBondContact O-N 3.43Å; L322-I326 HydrophobicContact CD1-CD1 4.38Å; L322-I326 HydrophobicContact CG-CD1 4.13Å; L322-I326 WeakPolarHBondContact O-CG1 3.16Å; L322-I326 PolarHBondContact O-N 3.15Å
323	S	87.8	Confident	87.4	Confident	44 Å²	44	41.7 Å²	41.7	31%	0.308	23%	0.225	S	C	.	.	H	α-helix	trans	-61.8	-44.7	176.4	58.8	0	0	0	0	111.1	G319 S320 A325 I326 F327	G319-S323 PolarHBondContact O-N 3.42Å; G319-S323 PolarHBondContact O-OG 3.41Å; S320-S323 WeakPolarHBondContact CA-OG 3.49Å; S320-S323 PolarHBondContact O-OG 2.6Å; S323-A325 PolarHBondContact O-N 2.78Å; S323-I326 PolarHBondContact O-N 3.04Å; S323-F327 WeakPolarHBondContact O-CB 3.42Å; S323-F327 PolarHBondContact O-N 3.39Å
324	T	89.7	Confident	88.3	Confident	25 Å²	25	39.2 Å²	39.2	15%	0.153	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-45.5	174.7	-62.1	0	0	0	0	111.4	V308 L314 S320 I326 F327 V328	V308-T324 HydrophobicContact CG1-CG2 4.12Å; L314-T324 HydrophobicContact CD1-CG2 4.35Å; S320-T324 WeakPolarHBondContact O-CB 3.18Å; S320-T324 PolarHBondContact O-N 2.87Å; S320-T324 PolarHBondContact O-OG1 3.04Å; T324-I326 PolarHBondContact O-N 2.73Å; T324-F327 PolarHBondContact O-N 3.3Å; T324-V328 HydrophobicContact CG2-CG2 4.18Å; T324-V328 WeakPolarHBondContact O-CB 3.44Å; T324-V328 VanDerWaalsContact O-CG2 3.25Å; T324-V328 WeakPolarHBondContact O-CG2 3.17Å; T324-V328 PolarHBondContact O-N 3.49Å
325	A	91.8	Very high	89.2	Confident	30 Å²	30	40.7 Å²	40.7	25%	0.248	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-41.4	177.4	0	0	0	0	0	112.7	V305 M321 L322 S323 Y329	V305-A325 HydrophobicContact CG2-CB 4.32Å; M321-A325 VanDerWaalsContact O-CB 3.31Å; M321-A325 WeakPolarHBondContact O-CB 3.49Å; M321-A325 PolarHBondContact O-N 2.9Å; L322-A325 PolarHBondContact O-N 3.43Å; S323-A325 PolarHBondContact O-N 2.78Å; A325-Y329 WeakPolarHBondContact O-CB 3.33Å; A325-Y329 PolarHBondContact O-N 2.89Å
326	I	92	Very high	90	Very high	45 Å²	45	39.1 Å²	39.1	23%	0.231	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-45.3	176.4	-68	166.2	0	0	0	110.6	L81 L322 S323 T324 Y329 A330 I398	L81-I326 HydrophobicContact CD1-CD1 3.49Å; L81-I326 VanDerWaalsContact CD1-CD1 3.49Å; L322-I326 HydrophobicContact CD1-CD1 4.38Å; L322-I326 HydrophobicContact CG-CD1 4.13Å; L322-I326 WeakPolarHBondContact O-CG1 3.16Å; L322-I326 PolarHBondContact O-N 3.15Å; S323-I326 PolarHBondContact O-N 3.04Å; T324-I326 PolarHBondContact O-N 2.73Å; I326-Y329 PolarHBondContact O-N 3Å; I326-A330 WeakPolarHBondContact O-CB 3.16Å; I326-A330 PolarHBondContact O-N 3.01Å; I326-I398 HydrophobicContact CG2-CD1 4.33Å
327	F	92.1	Very high	90.9	Very high	143 Å²	143	37.3 Å²	37.3	63%	0.627	21%	0.206	S	C	*	.	H	α-helix	trans	-63.2	-49.2	178.9	179.4	-99.4	0	0	0	111.8	S323 T324 Y329 A330 A331	S323-F327 WeakPolarHBondContact O-CB 3.42Å; S323-F327 PolarHBondContact O-N 3.39Å; T324-F327 PolarHBondContact O-N 3.3Å; F327-Y329 VanDerWaalsContact C-N 3.31Å; F327-Y329 PolarHBondContact O-N 2.79Å; F327-A330 PolarHBondContact O-N 2.98Å; F327-A331 WeakPolarHBondContact O-CB 3.25Å; F327-A331 PolarHBondContact O-N 2.93Å
328	V	95.1	Very high	91.9	Very high	12 Å²	12	35.3 Å²	35.3	7%	0.073	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-39.3	177.1	173.3	0	0	0	0	110.9	V301 I304 V305 T324 A331 T332	V301-V328 HydrophobicContact CB-CG1 4.43Å; V301-V328 HydrophobicContact CG1-CG1 4.26Å; V301-V328 HydrophobicContact CG2-CG1 4.32Å; I304-V328 HydrophobicContact CB-CG1 3.81Å; I304-V328 HydrophobicContact CD1-CG1 4.3Å; I304-V328 HydrophobicContact CG2-CG1 3.66Å; I304-V328 HydrophobicContact CG2-CG2 3.95Å; V305-V328 HydrophobicContact CG2-CB 4.11Å; V305-V328 HydrophobicContact CG2-CG1 4.14Å; V305-V328 HydrophobicContact CG2-CG2 4.26Å; T324-V328 HydrophobicContact CG2-CG2 4.18Å; T324-V328 WeakPolarHBondContact O-CB 3.44Å; T324-V328 VanDerWaalsContact O-CG2 3.25Å; T324-V328 WeakPolarHBondContact O-CG2 3.17Å; T324-V328 PolarHBondContact O-N 3.49Å; V328-A331 PolarHBondContact O-N 2.83Å; V328-T332 HydrophobicContact CG1-CG2 4.17Å; V328-T332 WeakPolarHBondContact O-CB 3.4Å; V328-T332 VanDerWaalsContact O-CG2 3.27Å; V328-T332 WeakPolarHBondContact O-CG2 3.47Å; V328-T332 PolarHBondContact O-N 3.43Å; V328-T332 PolarHBondContact O-OG1 3.26Å
329	Y	96.1	Very high	92.9	Very high	35 Å²	35	37.6 Å²	37.6	14%	0.137	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-45.3	174.6	-176.7	-85.9	0	0	0	111.9	Q297 V301 A325 I326 F327 T332 S333 I363 P364 I403	Q297-Y329 HydrophobicContact CG-CE2 4.42Å; Q297-Y329 PolarHBondContact NE2-O 3.34Å; Q297-Y329 PolarHBondContact OE1-OH 2.8Å; V301-Y329 HydrophobicContact CG2-CD2 4Å; V301-Y329 HydrophobicContact CG2-CG 4.49Å; A325-Y329 WeakPolarHBondContact O-CB 3.33Å; A325-Y329 PolarHBondContact O-N 2.89Å; I326-Y329 PolarHBondContact O-N 3Å; F327-Y329 VanDerWaalsContact C-N 3.31Å; F327-Y329 PolarHBondContact O-N 2.79Å; Y329-T332 PolarHBondContact O-OG1 3.41Å; Y329-S333 PolarHBondContact O-N 3.09Å; Y329-I363 HydrophobicContact CE2-CG2 4.24Å; Y329-I363 WeakPolarHBondContact OH-CB 3.29Å; Y329-P364 HydrophobicContact CE1-CG 4.17Å; Y329-I403 HydrophobicContact CD1-CD1 3.96Å; Y329-I403 HydrophobicContact CE1-CD1 3.87Å
330	A	95.1	Very high	93.8	Very high	7 Å²	7	37.4 Å²	37.4	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-64.2	-46	176.4	0	0	0	0	0	111.9	I326 F327 T332 S333 I398 V402 I403 L406	I326-A330 WeakPolarHBondContact O-CB 3.16Å; I326-A330 PolarHBondContact O-N 3.01Å; F327-A330 PolarHBondContact O-N 2.98Å; A330-T332 VanDerWaalsContact C-N 3.33Å; A330-T332 PolarHBondContact O-N 3.48Å; A330-S333 WeakPolarHBondContact O-CB 3.39Å; A330-S333 PolarHBondContact O-N 3.41Å; A330-I398 HydrophobicContact CB-CG2 4.39Å; A330-V402 HydrophobicContact CB-CG1 3.93Å; A330-I403 HydrophobicContact CB-CG1 4.11Å; A330-L406 VanDerWaalsContact O-CD1 3.31Å; A330-L406 WeakPolarHBondContact O-CD1 3.45Å
331	A	95.4	Very high	94.4	Very high	56 Å²	56	36.8 Å²	36.8	46%	0.463	20%	0.199	S	C	.	.	H	α-helix	trans	-64.1	-34.6	179.8	0	0	0	0	0	113.2	F327 V328 S333 P334	F327-A331 WeakPolarHBondContact O-CB 3.25Å; F327-A331 PolarHBondContact O-N 2.93Å; V328-A331 PolarHBondContact O-N 2.83Å; A331-S333 VanDerWaalsContact C-N 3.3Å; A331-S333 PolarHBondContact O-N 3.15Å; A331-P334 VanDerWaalsContact O-CD 3.22Å; A331-P334 WeakPolarHBondContact O-CD 3.27Å
332	T	97	Very high	94.9	Very high	13 Å²	13	33.8 Å²	33.8	8%	0.08	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1.1	178.2	56.4	0	0	0	0	113.7	V301 I304 V328 Y329 A330 P334 V335	V301-T332 HydrophobicContact CG2-CG2 4.43Å; V301-T332 WeakPolarHBondContact CG2-OG1 3.37Å; I304-T332 HydrophobicContact CD1-CG2 3.69Å; V328-T332 HydrophobicContact CG1-CG2 4.17Å; V328-T332 WeakPolarHBondContact O-CB 3.4Å; V328-T332 VanDerWaalsContact O-CG2 3.27Å; V328-T332 WeakPolarHBondContact O-CG2 3.47Å; V328-T332 PolarHBondContact O-N 3.43Å; V328-T332 PolarHBondContact O-OG1 3.26Å; Y329-T332 PolarHBondContact O-OG1 3.41Å; A330-T332 VanDerWaalsContact C-N 3.33Å; A330-T332 PolarHBondContact O-N 3.48Å; T332-P334 VanDerWaalsContact C-N 3.28Å; T332-P334 VanDerWaalsContact O-N 3.15Å; T332-V335 WeakPolarHBondContact O-CB 3.13Å; T332-V335 WeakPolarHBondContact O-CG2 3.33Å; T332-V335 PolarHBondContact O-N 3.29Å
333	S	97.3	Very high	95.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-51	-35.1	177.1	-172.9	0	0	0	0	115.3	Y329 A330 A331 V335 N336 G337 I403 N407	Y329-S333 PolarHBondContact O-N 3.09Å; A330-S333 WeakPolarHBondContact O-CB 3.39Å; A330-S333 PolarHBondContact O-N 3.41Å; A331-S333 VanDerWaalsContact C-N 3.3Å; A331-S333 PolarHBondContact O-N 3.15Å; S333-V335 PolarHBondContact O-N 3.49Å; S333-N336 WeakPolarHBondContact O-CB 3.48Å; S333-N336 PolarHBondContact O-N 2.87Å; S333-G337 PolarHBondContact O-N 3.44Å; S333-I403 PolarHBondContact OG-O 2.73Å; S333-N407 PolarHBondContact O-OD1 3.27Å; S333-N407 WeakPolarHBondContact OG-CB 3.47Å; S333-N407 PolarHBondContact OG-N 3.46Å
334	P	98	Very high	95.7	Very high	39 Å²	39	30.4 Å²	30.4	25%	0.253	16%	0.163	S	C	.	.	H	α-helix	trans	-61	-26.7	174.3	-23.4	35.2	0	0	0	114.1	A331 T332 G337 Y338 L406 G410	A331-P334 VanDerWaalsContact O-CD 3.22Å; A331-P334 WeakPolarHBondContact O-CD 3.27Å; T332-P334 VanDerWaalsContact C-N 3.28Å; T332-P334 VanDerWaalsContact O-N 3.15Å; P334-G337 PolarHBondContact O-N 3.01Å; P334-Y338 VanDerWaalsContact O-CB 3.29Å; P334-Y338 WeakPolarHBondContact O-CB 3.41Å; P334-Y338 PolarHBondContact O-N 3.29Å; P334-L406 HydrophobicContact CG-CB 3.99Å; P334-L406 HydrophobicContact CG-CD2 4.31Å; P334-G410 WeakPolarHBondContact O-CA 3.29Å
335	V	97.9	Very high	95.9	Very high	38 Å²	38	30 Å²	30	23%	0.23	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-44.9	177	179.4	0	0	0	0	110.2	C296 T332 S333 G337 Y338 F339	C296-V335 HydrophobicContact CB-CG1 4.24Å; T332-V335 WeakPolarHBondContact O-CB 3.13Å; T332-V335 WeakPolarHBondContact O-CG2 3.33Å; T332-V335 PolarHBondContact O-N 3.29Å; S333-V335 PolarHBondContact O-N 3.49Å; V335-G337 PolarHBondContact O-N 3.18Å; V335-Y338 PolarHBondContact O-N 3.24Å; V335-F339 HydrophobicContact CG1-CD2 3.66Å; V335-F339 HydrophobicContact CG1-CE2 3.8Å; V335-F339 WeakPolarHBondContact O-CD2 3.3Å; V335-F339 PolarHBondContact O-N 3.44Å
336	N	97.6	Very high	96	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-51.4	176.5	-174.7	-9.6	0	0	0	111	G293 S294 Q297 S333 Y338 G340 G359	G293-N336 WeakPolarHBondContact O-CA 3.49Å; S294-N336 PolarHBondContact N-OD1 3.42Å; Q297-N336 HydrophobicContact CB-CB 3.89Å; Q297-N336 HydrophobicContact CG-CB 4.3Å; Q297-N336 VanDerWaalsContact OE1-CB 3.26Å; Q297-N336 PolarHBondContact OE1-ND2 2.79Å; S333-N336 WeakPolarHBondContact O-CB 3.48Å; S333-N336 PolarHBondContact O-N 2.87Å; N336-Y338 VanDerWaalsContact C-N 3.33Å; N336-Y338 PolarHBondContact O-N 2.77Å; N336-G340 PolarHBondContact O-N 3.06Å; N336-G359 PolarHBondContact ND2-O 3.24Å
337	G	97.1	Very high	96	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-44.5	178.1	0	0	0	0	0	112.2	S333 P334 V335 G341 N407 G410 T411	S333-G337 PolarHBondContact O-N 3.44Å; P334-G337 PolarHBondContact O-N 3.01Å; V335-G337 PolarHBondContact O-N 3.18Å; G337-G341 VanDerWaalsContact O-CA 3.3Å; G337-G341 WeakPolarHBondContact O-CA 3.19Å; G337-G341 PolarHBondContact O-N 3.02Å; G337-N407 WeakPolarHBondContact CA-OD1 3.35Å; G337-N407 PolarHBondContact N-OD1 3.26Å; G337-G410 CarbonylContact C-O 3.45Å; G337-T411 VanDerWaalsContact CA-OG1 3.25Å; G337-T411 WeakPolarHBondContact CA-OG1 3.42Å; G337-T411 VanDerWaalsContact O-CA 3.27Å; G337-T411 WeakPolarHBondContact O-CA 3.45Å
338	Y	97.8	Very high	96	Very high	72 Å²	72	26.6 Å²	26.6	28%	0.282	16%	0.156	S	C	.	.	H	α-helix	trans	-63.5	-53.7	-178.2	-177.7	-90.1	0	0	0	112.2	P334 V335 N336 S342 G410 L413 G414 L417 S418	P334-Y338 VanDerWaalsContact O-CB 3.29Å; P334-Y338 WeakPolarHBondContact O-CB 3.41Å; P334-Y338 PolarHBondContact O-N 3.29Å; V335-Y338 PolarHBondContact O-N 3.24Å; N336-Y338 VanDerWaalsContact C-N 3.33Å; N336-Y338 PolarHBondContact O-N 2.77Å; Y338-S342 WeakPolarHBondContact O-CB 3.43Å; Y338-S342 PolarHBondContact O-N 3.48Å; Y338-S342 PolarHBondContact O-OG 2.99Å; Y338-G410 WeakPolarHBondContact CA-O 3.26Å; Y338-G410 PolarHBondContact N-O 3.36Å; Y338-L413 HydrophobicContact CD2-CB 4.27Å; Y338-G414 VanDerWaalsContact CD2-CA 3.4Å; Y338-L417 HydrophobicContact CE2-CD1 4.32Å; Y338-S418 PolarHBondContact OH-OG 3.38Å; Y338-S418 VanDerWaalsContact OH-OG 3.09Å
339	F	97.4	Very high	95.9	Very high	83 Å²	83	26.6 Å²	26.6	36%	0.364	16%	0.159	S	C	.	.	H	α-helix	trans	-70.2	-42.6	-178.1	-77.4	-79.2	0	0	0	112	C296 V335 S342 L343	C296-F339 HydrophobicContact CB-CB 4.22Å; C296-F339 HydrophobicContact CB-CD2 3.74Å; C296-F339 HydrophobicContact CB-CE2 4.28Å; C296-F339 HydrophobicContact CB-CG 3.97Å; V335-F339 HydrophobicContact CG1-CD2 3.66Å; V335-F339 HydrophobicContact CG1-CE2 3.8Å; V335-F339 WeakPolarHBondContact O-CD2 3.3Å; V335-F339 PolarHBondContact O-N 3.44Å; F339-S342 PolarHBondContact O-OG 2.89Å; F339-S342 VanDerWaalsContact O-OG 3.08Å; F339-L343 WeakPolarHBondContact O-CB 3.12Å; F339-L343 PolarHBondContact O-N 2.86Å; F339-L343 VanDerWaalsContact O-N 3.16Å
340	G	96.7	Very high	95.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.2	-48.1	177.8	0	0	0	0	0	112.7	S289 N336 L343 Y344	S289-G340 WeakPolarHBondContact CB-O 3.48Å; S289-G340 VanDerWaalsContact O-CA 3.26Å; S289-G340 WeakPolarHBondContact O-CA 3.3Å; N336-G340 PolarHBondContact O-N 3.06Å; G340-L343 PolarHBondContact O-N 3.13Å; G340-Y344 WeakPolarHBondContact O-CB 3.34Å; G340-Y344 PolarHBondContact O-N 3.17Å
341	G	96.5	Very high	95.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-41.7	180	0	0	0	0	0	113.2	G337 A345 R415	G337-G341 VanDerWaalsContact O-CA 3.3Å; G337-G341 WeakPolarHBondContact O-CA 3.19Å; G337-G341 PolarHBondContact O-N 3.02Å; G341-A345 WeakPolarHBondContact O-CB 3.47Å; G341-A345 PolarHBondContact O-N 3.42Å; G341-A345 VanDerWaalsContact O-N 3.07Å; G341-R415 WeakPolarHBondContact O-CG 3.47Å
342	S	95.9	Very high	95.6	Very high	7 Å²	7	44.7 Å²	44.7	5%	0.049	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-46.9	176.2	62.5	0	0	0	0	111.8	Y338 F339 A345 K346 G414	Y338-S342 WeakPolarHBondContact O-CB 3.43Å; Y338-S342 PolarHBondContact O-N 3.48Å; Y338-S342 PolarHBondContact O-OG 2.99Å; F339-S342 PolarHBondContact O-OG 2.89Å; F339-S342 VanDerWaalsContact O-OG 3.08Å; S342-A345 PolarHBondContact O-N 3.33Å; S342-K346 WeakPolarHBondContact O-CG 3.46Å; S342-K346 PolarHBondContact O-N 2.92Å; S342-G414 WeakPolarHBondContact CA-O 3.24Å; S342-G414 WeakPolarHBondContact CB-O 3.3Å
343	L	95.9	Very high	95.6	Very high	18 Å²	18	48.1 Å²	48.1	9%	0.094	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-41.7	179.8	-176.7	58.3	0	0	0	112	F288 I292 F339 G340 A345 K346 Q347 Y569	F288-L343 HydrophobicContact CD1-CD2 4.2Å; F288-L343 HydrophobicContact CE1-CD2 4.04Å; I292-L343 HydrophobicContact CB-CD2 4.03Å; I292-L343 HydrophobicContact CG1-CD2 3.86Å; I292-L343 HydrophobicContact CG2-CD2 4.09Å; F339-L343 WeakPolarHBondContact O-CB 3.12Å; F339-L343 PolarHBondContact O-N 2.86Å; F339-L343 VanDerWaalsContact O-N 3.16Å; G340-L343 PolarHBondContact O-N 3.13Å; L343-A345 VanDerWaalsContact C-N 3.3Å; L343-A345 PolarHBondContact O-N 2.97Å; L343-K346 PolarHBondContact O-N 3.5Å; L343-Q347 HydrophobicContact CD1-CG 4.44Å; L343-Q347 WeakPolarHBondContact O-CG 3.31Å; L343-Q347 PolarHBondContact O-N 2.88Å; L343-Q347 VanDerWaalsContact O-N 3.08Å; L343-Y569 HydrophobicContact CD1-CE1 4.41Å; L343-Y569 WeakPolarHBondContact CD1-OH 3.43Å; L343-Y569 HydrophobicContact CD2-CE1 3.74Å
344	Y	96.8	Very high	95.5	Very high	14 Å²	14	53.8 Å²	53.8	6%	0.055	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-39	176.6	-171.8	-117.3	0	0	0	112.1	P285 M286 G340 Q347 G349 R351 W352 Q355	P285-Y344 HydrophobicContact CB-CD2 4.37Å; P285-Y344 HydrophobicContact CB-CE2 4.36Å; P285-Y344 HydrophobicContact CG-CE2 4.41Å; M286-Y344 HydrophobicContact CB-CE2 3.96Å; G340-Y344 WeakPolarHBondContact O-CB 3.34Å; G340-Y344 PolarHBondContact O-N 3.17Å; Y344-Q347 PolarHBondContact O-N 2.89Å; Y344-G349 VanDerWaalsContact CE1-C 3.45Å; Y344-G349 VanDerWaalsContact CE1-CA 3.49Å; Y344-G349 WeakPolarHBondContact O-CA 3.29Å; Y344-G349 PolarHBondContact O-N 3.27Å; Y344-R351 PolarHBondContact OH-N 3.32Å; Y344-W352 HydrophobicContact CD1-CB 4.36Å; Y344-W352 HydrophobicContact CE1-CB 4.36Å; Y344-Q355 HydrophobicContact CD1-CB 3.87Å; Y344-Q355 HydrophobicContact CD1-CG 4.03Å; Y344-Q355 HydrophobicContact CD2-CB 4.48Å; Y344-Q355 HydrophobicContact CD2-CG 4.11Å; Y344-Q355 HydrophobicContact CE1-CB 4.03Å; Y344-Q355 HydrophobicContact CG-CB 4.13Å; Y344-Q355 HydrophobicContact CG-CG 3.78Å
345	A	95.4	Very high	95.4	Very high	17 Å²	17	52 Å²	52	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-66	-44.9	174	0	0	0	0	0	112.2	G341 S342 L343 Q347 G348 R415 G419	G341-A345 WeakPolarHBondContact O-CB 3.47Å; G341-A345 PolarHBondContact O-N 3.42Å; G341-A345 VanDerWaalsContact O-N 3.07Å; S342-A345 PolarHBondContact O-N 3.33Å; L343-A345 VanDerWaalsContact C-N 3.3Å; L343-A345 PolarHBondContact O-N 2.97Å; A345-Q347 PolarHBondContact O-N 3.41Å; A345-G348 PolarHBondContact O-N 2.92Å; A345-R415 HydrophobicContact CB-CB 4.49Å; A345-R415 HydrophobicContact CB-CG 4.15Å; A345-G419 CarbonylContact C-O 3.55Å; A345-G419 VanDerWaalsContact C-O 3.25Å
346	K	92.9	Very high	95.4	Very high	70 Å²	70	50.7 Å²	50.7	30%	0.304	23%	0.234	S	C	.	.	H	α-helix	trans	-57.9	-31.5	176.3	-73.6	178.6	-168.5	179.8	0	112.9	S342 L343 G348 S418 G419 P421	S342-K346 WeakPolarHBondContact O-CG 3.46Å; S342-K346 PolarHBondContact O-N 2.92Å; L343-K346 PolarHBondContact O-N 3.5Å; K346-G348 VanDerWaalsContact C-N 3.28Å; K346-G348 PolarHBondContact O-N 2.8Å; K346-S418 WeakPolarHBondContact CE-O 3.44Å; K346-S418 WeakPolarHBondContact CG-O 3.36Å; K346-G419 WeakPolarHBondContact CA-O 3.37Å; K346-G419 PolarHBondContact N-O 3.37Å; K346-G419 VanDerWaalsContact N-O 3.17Å; K346-P421 WeakPolarHBondContact O-CG 3.36Å
347	Q	93.1	Very high	95.3	Very high	18 Å²	18	55.2 Å²	55.2	8%	0.084	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	6.3	177.9	-68.8	-176.5	-25.8	0	0	113.7	P281 S282 P285 L343 Y344 A345	P281-Q347 HydrophobicContact CB-CB 4.2Å; S282-Q347 PolarHBondContact OG-NE2 3.43Å; S282-Q347 PolarHBondContact OG-OE1 2.91Å; P285-Q347 HydrophobicContact CB-CB 4.25Å; L343-Q347 HydrophobicContact CD1-CG 4.44Å; L343-Q347 WeakPolarHBondContact O-CG 3.31Å; L343-Q347 PolarHBondContact O-N 2.88Å; L343-Q347 VanDerWaalsContact O-N 3.08Å; Y344-Q347 PolarHBondContact O-N 2.89Å; A345-Q347 PolarHBondContact O-N 3.41Å
348	G	90.9	Very high	95.3	Very high	58 Å²	58	58 Å²	58	60%	0.598	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	18.5	179.2	0	0	0	0	0	114.7	A345 K346 R350	A345-G348 PolarHBondContact O-N 2.92Å; K346-G348 VanDerWaalsContact C-N 3.28Å; K346-G348 PolarHBondContact O-N 2.8Å; G348-R350 PolarHBondContact O-N 3.15Å
349	G	92.4	Very high	95.2	Very high	12 Å²	12	54.5 Å²	54.5	12%	0.124	26%	0.255	C	S	.	.			trans	-68.2	118.3	-178.1	0	0	0	0	0	114.1	Y344	Y344-G349 VanDerWaalsContact CE1-C 3.45Å; Y344-G349 VanDerWaalsContact CE1-CA 3.49Å; Y344-G349 WeakPolarHBondContact O-CA 3.29Å; Y344-G349 PolarHBondContact O-N 3.27Å
350	R	91	Very high	95.1	Very high	228 Å²	228	50.6 Å²	50.6	86%	0.86	24%	0.237	S	C	*	.			trans	-86.4	-34.6	-179.7	-62	-174.9	-177.3	-178.2	0.5	114.1	G348 W352	G348-R350 PolarHBondContact O-N 3.15Å; R350-W352 VanDerWaalsContact C-N 3.28Å; R350-W352 PolarHBondContact O-N 3.45Å
351	R	95.4	Very high	95.1	Very high	168 Å²	168	53.2 Å²	53.2	63%	0.634	25%	0.249	S	C	*	.			trans	-88.2	59.1	-173	-64.4	-179.5	-178.2	172.4	-0.5	111.9	M286 Y344 I353 K354 Q355	M286-R351 HydrophobicContact CE-CB 3.86Å; Y344-R351 PolarHBondContact OH-N 3.32Å; R351-I353 PolarHBondContact O-N 3.15Å; R351-K354 HydrophobicContact CB-CB 4.46Å; R351-K354 PolarHBondContact O-N 2.97Å; R351-Q355 PolarHBondContact O-N 3.44Å
352	W	94.8	Very high	95	Very high	81 Å²	81	56 Å²	56	31%	0.307	26%	0.264	S	S	.	.	H	α-helix	trans	-68.5	-32.2	-169.6	66.3	-94.1	0	0	0	114.2	Y344 R350 K354 Q355 M356 L408 T411 R415	Y344-W352 HydrophobicContact CD1-CB 4.36Å; Y344-W352 HydrophobicContact CE1-CB 4.36Å; R350-W352 VanDerWaalsContact C-N 3.28Å; R350-W352 PolarHBondContact O-N 3.45Å; W352-K354 VanDerWaalsContact C-N 3.33Å; W352-K354 PolarHBondContact O-N 3.34Å; W352-Q355 PolarHBondContact O-N 2.98Å; W352-M356 WeakPolarHBondContact O-CB 3.28Å; W352-M356 PolarHBondContact O-N 2.94Å; W352-L408 HydrophobicContact CZ3-CD1 4.13Å; W352-T411 HydrophobicContact CE3-CG2 4.3Å; W352-R415 VanDerWaalsContact CG-CZ 3.5Å
353	I	96.3	Very high	95	Very high	86 Å²	86	56.1 Å²	56.1	44%	0.441	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-44	174.7	-60.8	172.2	0	0	0	110.2	R351 Q355 M356 F357	R351-I353 PolarHBondContact O-N 3.15Å; I353-Q355 VanDerWaalsContact C-N 3.34Å; I353-Q355 PolarHBondContact O-N 2.93Å; I353-M356 WeakPolarHBondContact O-CB 3.47Å; I353-M356 PolarHBondContact O-N 3.46Å; I353-F357 HydrophobicContact CG2-CD2 3.82Å; I353-F357 HydrophobicContact CG2-CE2 3.71Å; I353-F357 VanDerWaalsContact O-CD2 3.28Å; I353-F357 WeakPolarHBondContact O-CD2 3.48Å; I353-F357 PolarHBondContact O-N 2.92Å
354	K	96.2	Very high	94.9	Very high	119 Å²	119	55.9 Å²	55.9	52%	0.517	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-40.8	177.2	-68.1	-168.4	178.4	-169.5	0	112	M286 R351 W352 F357 I358	M286-K354 HydrophobicContact CE-CB 3.75Å; M286-K354 HydrophobicContact SD-CB 4.17Å; R351-K354 HydrophobicContact CB-CB 4.46Å; R351-K354 PolarHBondContact O-N 2.97Å; W352-K354 VanDerWaalsContact C-N 3.33Å; W352-K354 PolarHBondContact O-N 3.34Å; K354-F357 PolarHBondContact O-N 2.98Å; K354-I358 WeakPolarHBondContact O-CG1 3.35Å; K354-I358 PolarHBondContact O-N 3.13Å
355	Q	96.4	Very high	94.8	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-43.1	175.9	-174.6	-80.1	-47.2	0	0	111.2	M286 S290 Y344 R351 W352 I353 F357 I358 G359	M286-Q355 HydrophobicContact CG-CB 4.13Å; M286-Q355 HydrophobicContact CG-CG 4.41Å; S290-Q355 PolarHBondContact OG-NE2 3.26Å; S290-Q355 VanDerWaalsContact OG-NE2 3.17Å; S290-Q355 PolarHBondContact OG-O 3.48Å; Y344-Q355 HydrophobicContact CD1-CB 3.87Å; Y344-Q355 HydrophobicContact CD1-CG 4.03Å; Y344-Q355 HydrophobicContact CD2-CB 4.48Å; Y344-Q355 HydrophobicContact CD2-CG 4.11Å; Y344-Q355 HydrophobicContact CE1-CB 4.03Å; Y344-Q355 HydrophobicContact CG-CB 4.13Å; Y344-Q355 HydrophobicContact CG-CG 3.78Å; R351-Q355 PolarHBondContact O-N 3.44Å; W352-Q355 PolarHBondContact O-N 2.98Å; I353-Q355 VanDerWaalsContact C-N 3.34Å; I353-Q355 PolarHBondContact O-N 2.93Å; Q355-F357 PolarHBondContact O-N 2.94Å; Q355-I358 PolarHBondContact O-N 3.44Å; Q355-G359 PolarHBondContact O-N 3.5Å
356	M	96.6	Very high	94.8	Very high	10 Å²	10	59.7 Å²	59.7	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-45.2	175.6	-178.5	-150.5	74.4	0	0	112.2	W352 I353 G359 A360 L404 N407 L408 T411	W352-M356 WeakPolarHBondContact O-CB 3.28Å; W352-M356 PolarHBondContact O-N 2.94Å; I353-M356 WeakPolarHBondContact O-CB 3.47Å; I353-M356 PolarHBondContact O-N 3.46Å; M356-G359 PolarHBondContact O-N 2.93Å; M356-A360 WeakPolarHBondContact O-CB 3.09Å; M356-A360 PolarHBondContact O-N 3.38Å; M356-L404 HydrophobicContact CE-CD1 3.8Å; M356-N407 PolarHBondContact O-ND2 3.49Å; M356-L408 HydrophobicContact SD-CB 3.67Å; M356-L408 HydrophobicContact SD-CD1 3.35Å; M356-L408 WeakPolarHBondContact SD-CD1 3.36Å; M356-L408 HydrophobicContact SD-CG 4.08Å; M356-T411 HydrophobicContact CB-CG2 4.21Å; M356-T411 HydrophobicContact CG-CG2 4.42Å
357	F	97	Very high	94.9	Very high	96 Å²	96	59.1 Å²	59.1	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-45.2	176.1	-87.6	-76.4	0	0	0	112	I353 K354 Q355 G359 A360 F361 L404	I353-F357 HydrophobicContact CG2-CD2 3.82Å; I353-F357 HydrophobicContact CG2-CE2 3.71Å; I353-F357 VanDerWaalsContact O-CD2 3.28Å; I353-F357 WeakPolarHBondContact O-CD2 3.48Å; I353-F357 PolarHBondContact O-N 2.92Å; K354-F357 PolarHBondContact O-N 2.98Å; Q355-F357 PolarHBondContact O-N 2.94Å; F357-G359 PolarHBondContact O-N 3.01Å; F357-A360 PolarHBondContact O-N 3.39Å; F357-F361 AromaticContact CD1-CD2 3.99Å; F357-F361 HydrophobicContact CD1-CD2 3.99Å; F357-F361 AromaticContact CD1-CE2 3.69Å; F357-F361 HydrophobicContact CD1-CE2 3.69Å; F357-F361 HydrophobicContact CE1-CE2 4.09Å; F357-F361 WeakPolarHBondContact O-CD2 3.38Å; F357-F361 PolarHBondContact O-N 3.05Å; F357-L404 HydrophobicContact CD1-CD1 4.18Å; F357-L404 HydrophobicContact CE1-CD1 3.98Å; F357-L404 HydrophobicContact CE1-CD2 4.1Å
358	I	96.4	Very high	94.9	Very high	59 Å²	59	60.8 Å²	60.8	30%	0.303	31%	0.305	S	S	.	.	H	α-helix	trans	-61.5	-46.4	176.3	-66.5	166.9	0	0	0	109.9	M286 K354 Q355 A360 F361 L362	M286-I358 HydrophobicContact CG-CD1 3.72Å; M286-I358 HydrophobicContact SD-CD1 3.5Å; M286-I358 VanDerWaalsContact SD-CD1 3.5Å; K354-I358 WeakPolarHBondContact O-CG1 3.35Å; K354-I358 PolarHBondContact O-N 3.13Å; Q355-I358 PolarHBondContact O-N 3.44Å; I358-A360 PolarHBondContact O-N 3.45Å; I358-F361 PolarHBondContact O-N 3.28Å; I358-L362 WeakPolarHBondContact O-CB 3.5Å; I358-L362 PolarHBondContact O-N 2.88Å
359	G	94.6	Very high	95	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.2	-45.7	176.9	0	0	0	0	0	113.1	N336 Q355 M356 F357	N336-G359 PolarHBondContact ND2-O 3.24Å; Q355-G359 PolarHBondContact O-N 3.5Å; M356-G359 PolarHBondContact O-N 2.93Å; F357-G359 PolarHBondContact O-N 3.01Å
360	A	95.8	Very high	95.1	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-42.2	-179	0	0	0	0	0	112.9	M356 F357 I358 P364 L404 N407	M356-A360 WeakPolarHBondContact O-CB 3.09Å; M356-A360 PolarHBondContact O-N 3.38Å; F357-A360 PolarHBondContact O-N 3.39Å; I358-A360 PolarHBondContact O-N 3.45Å; A360-P364 WeakPolarHBondContact O-CD 3.36Å; A360-P364 WeakPolarHBondContact O-CG 3.28Å; A360-L404 HydrophobicContact CB-CD1 4.05Å; A360-N407 HydrophobicContact CB-CB 4.21Å; A360-N407 PolarHBondContact N-ND2 3.31Å
361	F	95.9	Very high	95.2	Very high	56 Å²	56	51 Å²	51	25%	0.246	27%	0.266	C	S	.	.	H	α-helix	trans	-103.3	-8.1	-169.1	-67.7	-70.5	0	0	0	114.8	F357 I358 I363 A365 C399 L400 L404	F357-F361 AromaticContact CD1-CD2 3.99Å; F357-F361 HydrophobicContact CD1-CD2 3.99Å; F357-F361 AromaticContact CD1-CE2 3.69Å; F357-F361 HydrophobicContact CD1-CE2 3.69Å; F357-F361 HydrophobicContact CE1-CE2 4.09Å; F357-F361 WeakPolarHBondContact O-CD2 3.38Å; F357-F361 PolarHBondContact O-N 3.05Å; I358-F361 PolarHBondContact O-N 3.28Å; F361-I363 PolarHBondContact O-N 3.26Å; F361-A365 WeakPolarHBondContact O-CA 3.49Å; F361-A365 WeakPolarHBondContact O-CB 3.37Å; F361-A365 PolarHBondContact O-N 3.06Å; F361-C399 HydrophobicContact CE1-CB 4.13Å; F361-L400 HydrophobicContact CE1-CD2 4.22Å; F361-L400 HydrophobicContact CZ-CD2 3.88Å; F361-L404 HydrophobicContact CE2-CD1 3.84Å; F361-L404 HydrophobicContact CE2-CD2 4.31Å; F361-L404 HydrophobicContact CE2-CG 4.47Å; F361-L404 HydrophobicContact CZ-CB 4.22Å; F361-L404 HydrophobicContact CZ-CD1 4.29Å; F361-L404 HydrophobicContact CZ-CD2 4.21Å; F361-L404 HydrophobicContact CZ-CG 4.48Å
362	L	95.1	Very high	95	Very high	59 Å²	59	49.1 Å²	49.1	31%	0.309	26%	0.263	S	S	.	.	H	α-helix	trans	-56.2	-55.4	-177.7	-179.4	68.1	0	0	0	112.7	L291 I358 M366	L291-L362 HydrophobicContact CD2-CD2 3.7Å; L291-L362 HydrophobicContact CG-CD2 4.34Å; I358-L362 WeakPolarHBondContact O-CB 3.5Å; I358-L362 PolarHBondContact O-N 2.88Å; L362-M366 WeakPolarHBondContact O-CB 3.49Å; L362-M366 PolarHBondContact O-N 3.26Å
363	I	95.6	Very high	94.9	Very high	9 Å²	9	51 Å²	51	5%	0.046	27%	0.274	C	S	.	.	H	α-helix	trans	-74	-46.4	-179	-54.1	-59.5	0	0	0	111.4	I298 Y329 F361 A365 M366 V367 I562	I298-I363 HydrophobicContact CD1-CD1 3.86Å; I298-I363 HydrophobicContact CD1-CG1 4.1Å; Y329-I363 HydrophobicContact CE2-CG2 4.24Å; Y329-I363 WeakPolarHBondContact OH-CB 3.29Å; F361-I363 PolarHBondContact O-N 3.26Å; I363-A365 VanDerWaalsContact C-N 3.31Å; I363-A365 PolarHBondContact O-N 3.27Å; I363-M366 HydrophobicContact CD1-CE 4.12Å; I363-M366 HydrophobicContact CG2-CE 4.41Å; I363-M366 WeakPolarHBondContact O-CB 3.3Å; I363-M366 PolarHBondContact O-N 3.45Å; I363-M366 VanDerWaalsContact O-N 3.16Å; I363-V367 HydrophobicContact CG2-CG2 4.27Å; I363-V367 WeakPolarHBondContact O-CG2 3.27Å; I363-V367 PolarHBondContact O-N 3.35Å; I363-I562 HydrophobicContact CD1-CD1 3.6Å
364	P	95.1	Very high	94.8	Very high	12 Å²	12	47.2 Å²	47.2	8%	0.078	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-39.9	176.7	-27.7	37.9	0	0	0	113.2	Y329 A360 V367 C368	Y329-P364 HydrophobicContact CE1-CG 4.17Å; A360-P364 WeakPolarHBondContact O-CD 3.36Å; A360-P364 WeakPolarHBondContact O-CG 3.28Å; P364-V367 PolarHBondContact O-N 3.33Å; P364-C368 WeakPolarHBondContact O-CB 3.38Å; P364-C368 PolarHBondContact O-N 3.07Å; P364-C368 PolarHBondContact O-SG 3.49Å
365	A	94.4	Very high	94.7	Very high	62 Å²	62	41.8 Å²	41.8	51%	0.512	23%	0.231	S	C	.	.	H	α-helix	trans	-67.2	-37.8	177.1	0	0	0	0	0	112.1	F361 I363 G369	F361-A365 WeakPolarHBondContact O-CA 3.49Å; F361-A365 WeakPolarHBondContact O-CB 3.37Å; F361-A365 PolarHBondContact O-N 3.06Å; I363-A365 VanDerWaalsContact C-N 3.31Å; I363-A365 PolarHBondContact O-N 3.27Å; A365-G369 WeakPolarHBondContact O-CA 3.16Å; A365-G369 PolarHBondContact O-N 2.83Å
366	M	95	Very high	94.5	Very high	50 Å²	50	48.3 Å²	48.3	25%	0.246	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-48.5	174	-178.4	-177.1	67.6	0	0	111.3	L362 I363 T370 V555	L362-M366 WeakPolarHBondContact O-CB 3.49Å; L362-M366 PolarHBondContact O-N 3.26Å; I363-M366 HydrophobicContact CD1-CE 4.12Å; I363-M366 HydrophobicContact CG2-CE 4.41Å; I363-M366 WeakPolarHBondContact O-CB 3.3Å; I363-M366 PolarHBondContact O-N 3.45Å; I363-M366 VanDerWaalsContact O-N 3.16Å; M366-T370 PolarHBondContact O-N 3.04Å; M366-T370 VanDerWaalsContact O-N 3.16Å; M366-T370 PolarHBondContact O-OG1 3.45Å; M366-V555 HydrophobicContact CE-CG1 4.37Å
367	V	94.6	Very high	94.4	Very high	58 Å²	58	48.5 Å²	48.5	35%	0.352	26%	0.261	S	S	.	.	H	α-helix	trans	-65.6	-49.8	179.6	176	0	0	0	0	111	I363 P364 G369 T370 A371 V555	I363-V367 HydrophobicContact CG2-CG2 4.27Å; I363-V367 WeakPolarHBondContact O-CG2 3.27Å; I363-V367 PolarHBondContact O-N 3.35Å; P364-V367 PolarHBondContact O-N 3.33Å; V367-G369 VanDerWaalsContact C-N 3.34Å; V367-G369 PolarHBondContact O-N 2.72Å; V367-T370 PolarHBondContact O-N 3.42Å; V367-A371 VanDerWaalsContact O-CB 3.3Å; V367-A371 WeakPolarHBondContact O-CB 3.15Å; V367-A371 PolarHBondContact O-N 3.19Å; V367-V555 HydrophobicContact CG2-CG1 3.9Å
368	C	93	Very high	94.1	Very high	52 Å²	52	44 Å²	44	35%	0.351	24%	0.241	S	C	.	.	H	α-helix	trans	-65.9	-36	-179.4	-65.2	0	0	0	0	112	P364 A371 F372	P364-C368 WeakPolarHBondContact O-CB 3.38Å; P364-C368 PolarHBondContact O-N 3.07Å; P364-C368 PolarHBondContact O-SG 3.49Å; C368-A371 PolarHBondContact O-N 3.17Å; C368-F372 WeakPolarHBondContact O-CB 3.47Å; C368-F372 PolarHBondContact O-N 3.16Å
369	G	93.4	Very high	93.9	Very high	42 Å²	42	45.4 Å²	45.4	43%	0.433	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-47.9	176	0	0	0	0	0	112	A365 V367 F372 F373	A365-G369 WeakPolarHBondContact O-CA 3.16Å; A365-G369 PolarHBondContact O-N 2.83Å; V367-G369 VanDerWaalsContact C-N 3.34Å; V367-G369 PolarHBondContact O-N 2.72Å; G369-F372 PolarHBondContact O-N 2.98Å; G369-F373 WeakPolarHBondContact O-CB 3.48Å; G369-F373 PolarHBondContact O-N 2.9Å
370	T	94.4	Very high	93.8	Very high	32 Å²	32	54 Å²	54	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-44.6	174.6	-63.5	0	0	0	0	111.6	M366 V367 F372 F373 I374 V555	M366-T370 PolarHBondContact O-N 3.04Å; M366-T370 VanDerWaalsContact O-N 3.16Å; M366-T370 PolarHBondContact O-OG1 3.45Å; V367-T370 PolarHBondContact O-N 3.42Å; T370-F372 PolarHBondContact O-N 2.74Å; T370-F373 PolarHBondContact O-N 3.49Å; T370-I374 HydrophobicContact CG2-CD1 3.71Å; T370-I374 HydrophobicContact CG2-CG1 4.45Å; T370-I374 VanDerWaalsContact O-CG1 3.32Å; T370-I374 WeakPolarHBondContact O-CG1 3.18Å; T370-I374 PolarHBondContact O-N 2.95Å; T370-V555 HydrophobicContact CG2-CG2 3.84Å; T370-V555 WeakPolarHBondContact OG1-CG2 3.43Å
371	A	92.4	Very high	93.5	Very high	18 Å²	18	57.4 Å²	57.4	15%	0.149	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-42.6	178.4	0	0	0	0	0	111.7	V367 C368 I374 N375 I387	V367-A371 VanDerWaalsContact O-CB 3.3Å; V367-A371 WeakPolarHBondContact O-CB 3.15Å; V367-A371 PolarHBondContact O-N 3.19Å; C368-A371 PolarHBondContact O-N 3.17Å; A371-I374 PolarHBondContact O-N 3.31Å; A371-N375 WeakPolarHBondContact O-CB 3.41Å; A371-N375 PolarHBondContact O-N 2.94Å; A371-I387 HydrophobicContact CB-CD1 4.47Å
372	F	92.2	Very high	93.2	Very high	129 Å²	129	62.5 Å²	62.5	57%	0.566	32%	0.319	S	S	*	.	H	α-helix	trans	-64.9	-42.7	177.4	-177.3	-96.2	0	0	0	112.1	C368 G369 T370 N375 F376	C368-F372 WeakPolarHBondContact O-CB 3.47Å; C368-F372 PolarHBondContact O-N 3.16Å; G369-F372 PolarHBondContact O-N 2.98Å; T370-F372 PolarHBondContact O-N 2.74Å; F372-N375 WeakPolarHBondContact O-CB 3.24Å; F372-N375 PolarHBondContact O-N 2.96Å; F372-F376 PolarHBondContact O-N 3.31Å
373	F	93.4	Very high	92.9	Very high	121 Å²	121	59.9 Å²	59.9	53%	0.531	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-48.7	174.9	173	-103	0	0	0	111.7	G369 T370 N375 F376 I377	G369-F373 WeakPolarHBondContact O-CB 3.48Å; G369-F373 PolarHBondContact O-N 2.9Å; T370-F373 PolarHBondContact O-N 3.49Å; F373-N375 VanDerWaalsContact C-N 3.3Å; F373-N375 PolarHBondContact O-N 3.17Å; F373-F376 PolarHBondContact O-N 3.44Å; F373-I377 HydrophobicContact CD1-CD1 4.48Å; F373-I377 HydrophobicContact CE1-CD1 3.86Å; F373-I377 HydrophobicContact CZ-CD1 3.93Å; F373-I377 PolarHBondContact O-N 2.96Å
374	I	94	Very high	92.4	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.036	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-38.6	177	-67.8	169.1	0	0	0	110.7	T370 A371 F376 I377 A378 F544 F548 Y552	T370-I374 HydrophobicContact CG2-CD1 3.71Å; T370-I374 HydrophobicContact CG2-CG1 4.45Å; T370-I374 VanDerWaalsContact O-CG1 3.32Å; T370-I374 WeakPolarHBondContact O-CG1 3.18Å; T370-I374 PolarHBondContact O-N 2.95Å; A371-I374 PolarHBondContact O-N 3.31Å; I374-F376 VanDerWaalsContact C-N 3.32Å; I374-F376 PolarHBondContact O-N 3.16Å; I374-I377 WeakPolarHBondContact O-CB 3.34Å; I374-I377 PolarHBondContact O-N 3.42Å; I374-I377 VanDerWaalsContact O-N 3.14Å; I374-A378 PolarHBondContact O-N 2.79Å; I374-F544 HydrophobicContact CG2-CE2 4.29Å; I374-F548 HydrophobicContact CG2-CB 4.49Å; I374-F548 HydrophobicContact CG2-CD2 3.53Å; I374-F548 HydrophobicContact CG2-CE2 4.16Å; I374-F548 HydrophobicContact CG2-CG 4.41Å; I374-Y552 HydrophobicContact CD1-CD2 3.56Å; I374-Y552 HydrophobicContact CD1-CE2 3.37Å
375	N	92.8	Very high	91.9	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.027	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-37.4	178.9	-169.4	69.9	0	0	0	112.4	A371 F372 F373 I377 A378 M379 A386 I387 M392	A371-N375 WeakPolarHBondContact O-CB 3.41Å; A371-N375 PolarHBondContact O-N 2.94Å; F372-N375 WeakPolarHBondContact O-CB 3.24Å; F372-N375 PolarHBondContact O-N 2.96Å; F373-N375 VanDerWaalsContact C-N 3.3Å; F373-N375 PolarHBondContact O-N 3.17Å; N375-I377 VanDerWaalsContact C-N 3.28Å; N375-I377 PolarHBondContact O-N 3.03Å; N375-A378 WeakPolarHBondContact O-CB 3.43Å; N375-A378 PolarHBondContact O-N 3.42Å; N375-M379 WeakPolarHBondContact O-CG 3.42Å; N375-M379 PolarHBondContact O-N 2.87Å; N375-A386 WeakPolarHBondContact OD1-CA 3.37Å; N375-I387 PolarHBondContact OD1-N 3.37Å; N375-M392 HydrophobicContact CB-CE 4.12Å; N375-M392 VanDerWaalsContact CG-CE 3.48Å; N375-M392 WeakPolarHBondContact ND2-CE 3.27Å
376	F	92.9	Very high	91.6	Very high	137 Å²	137	58.8 Å²	58.8	60%	0.601	30%	0.295	S	S	*	.	H	α-helix	trans	-58.7	-42.2	173.6	-178.1	-99	0	0	0	111.8	F372 F373 I374 M379 Y380	F372-F376 PolarHBondContact O-N 3.31Å; F373-F376 PolarHBondContact O-N 3.44Å; I374-F376 VanDerWaalsContact C-N 3.32Å; I374-F376 PolarHBondContact O-N 3.16Å; F376-M379 HydrophobicContact CD2-CE 4.37Å; F376-Y380 PolarHBondContact O-N 3.08Å; F376-Y380 VanDerWaalsContact O-N 3.15Å
377	I	94.3	Very high	91.2	Very high	14 Å²	14	57.6 Å²	57.6	7%	0.072	29%	0.289	C	S	.	.	H	α-helix	trans	-68.6	-41.9	174.9	-53.4	172.9	0	0	0	110.3	F373 I374 N375 M379 Y380 Y381 L543 F544	F373-I377 HydrophobicContact CD1-CD1 4.48Å; F373-I377 HydrophobicContact CE1-CD1 3.86Å; F373-I377 HydrophobicContact CZ-CD1 3.93Å; F373-I377 PolarHBondContact O-N 2.96Å; I374-I377 WeakPolarHBondContact O-CB 3.34Å; I374-I377 PolarHBondContact O-N 3.42Å; I374-I377 VanDerWaalsContact O-N 3.14Å; N375-I377 VanDerWaalsContact C-N 3.28Å; N375-I377 PolarHBondContact O-N 3.03Å; I377-M379 VanDerWaalsContact C-N 3.3Å; I377-M379 PolarHBondContact O-N 3.12Å; I377-Y380 WeakPolarHBondContact O-CB 3.36Å; I377-Y380 PolarHBondContact O-N 3.29Å; I377-Y380 VanDerWaalsContact O-N 3.13Å; I377-Y381 HydrophobicContact CG2-CD2 3.9Å; I377-Y381 HydrophobicContact CG2-CE2 3.95Å; I377-Y381 WeakPolarHBondContact O-CD2 3.49Å; I377-Y381 PolarHBondContact O-N 3.08Å; I377-L543 HydrophobicContact CD1-CD2 4.02Å; I377-L543 HydrophobicContact CG1-CD2 4.38Å; I377-L543 HydrophobicContact CG2-CD2 3.48Å; I377-L543 VanDerWaalsContact CG2-CD2 3.48Å; I377-F544 HydrophobicContact CB-CD2 4.17Å; I377-F544 HydrophobicContact CG2-CB 4.2Å; I377-F544 HydrophobicContact CG2-CD2 3.72Å; I377-F544 HydrophobicContact CG2-CG 4.46Å
378	A	91.8	Very high	90.9	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-56.7	-44.6	177.2	0	0	0	0	0	111.7	I374 N375 Y381 H382 A383 A386 F544	I374-A378 PolarHBondContact O-N 2.79Å; N375-A378 WeakPolarHBondContact O-CB 3.43Å; N375-A378 PolarHBondContact O-N 3.42Å; A378-Y381 PolarHBondContact O-N 2.95Å; A378-H382 PolarHBondContact O-N 2.93Å; A378-H382 VanDerWaalsContact O-N 3.09Å; A378-A383 HydrophobicContact CB-CB 4.42Å; A378-A383 PolarHBondContact O-N 3.48Å; A378-A386 HydrophobicContact CB-CB 4.2Å; A378-F544 VanDerWaalsContact CA-CE2 3.49Å; A378-F544 HydrophobicContact CB-CE2 3.57Å; A378-F544 HydrophobicContact CB-CZ 4.02Å
379	M	91.3	Very high	90.6	Very high	90 Å²	90	63.2 Å²	63.2	44%	0.443	31%	0.309	S	S	.	.	H	α-helix	trans	-63.9	-40.3	176.6	-71.3	-173.7	-63.4	0	0	112.1	N375 F376 I377 Y381 H382 A386	N375-M379 WeakPolarHBondContact O-CG 3.42Å; N375-M379 PolarHBondContact O-N 2.87Å; F376-M379 HydrophobicContact CD2-CE 4.37Å; I377-M379 VanDerWaalsContact C-N 3.3Å; I377-M379 PolarHBondContact O-N 3.12Å; M379-Y381 VanDerWaalsContact C-N 3.27Å; M379-Y381 PolarHBondContact O-N 3.3Å; M379-H382 PolarHBondContact O-N 3.41Å; M379-H382 VanDerWaalsContact O-N 3.09Å; M379-A386 HydrophobicContact CG-CB 4.08Å
380	Y	92.3	Very high	90.3	Very high	179 Å²	179	63.7 Å²	63.7	70%	0.702	31%	0.314	S	S	*	.	H	α-helix	trans	-61	-36.7	175.6	177.4	-95.8	0	0	0	112.4	F376 I377 H382	F376-Y380 PolarHBondContact O-N 3.08Å; F376-Y380 VanDerWaalsContact O-N 3.15Å; I377-Y380 WeakPolarHBondContact O-CB 3.36Å; I377-Y380 PolarHBondContact O-N 3.29Å; I377-Y380 VanDerWaalsContact O-N 3.13Å; Y380-H382 VanDerWaalsContact C-N 3.33Å
381	Y	89.6	Confident	90	Very high	73 Å²	73	62.9 Å²	62.9	29%	0.286	31%	0.309	S	S	.	.	H	α-helix	trans	-82.2	-7.1	176.3	-82.5	-99.3	0	0	0	113.4	Y55 I377 A378 M379 A383 L543 F544	Y55-Y381 VanDerWaalsContact CE1-O 3.3Å; Y55-Y381 WeakPolarHBondContact CE1-O 3Å; I377-Y381 HydrophobicContact CG2-CD2 3.9Å; I377-Y381 HydrophobicContact CG2-CE2 3.95Å; I377-Y381 WeakPolarHBondContact O-CD2 3.49Å; I377-Y381 PolarHBondContact O-N 3.08Å; A378-Y381 PolarHBondContact O-N 2.95Å; M379-Y381 VanDerWaalsContact C-N 3.27Å; M379-Y381 PolarHBondContact O-N 3.3Å; Y381-A383 PolarHBondContact O-N 3.48Å; Y381-L543 HydrophobicContact CE2-CD2 4.36Å; Y381-F544 HydrophobicContact CD2-CB 4.16Å; Y381-F544 HydrophobicContact CE2-CB 4.18Å; Y381-F544 HydrophobicContact CG-CB 4.41Å
382	H	89.4	Confident	89.8	Confident	162 Å²	162	64.3 Å²	64.3	75%	0.75	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	34.2	-167.7	-56.9	-75.7	0	0	0	113.2	A378 M379 Y380	A378-H382 PolarHBondContact O-N 2.93Å; A378-H382 VanDerWaalsContact O-N 3.09Å; M379-H382 PolarHBondContact O-N 3.41Å; M379-H382 VanDerWaalsContact O-N 3.09Å; Y380-H382 VanDerWaalsContact C-N 3.33Å
383	A	88.9	Confident	89.7	Confident	5 Å²	5	61.1 Å²	61.1	4%	0.041	30%	0.304	C	S	.	.			trans	-72.1	145.8	179.2	0	0	0	0	0	111.5	T54 Y55 A378 Y381 R385 A386 F544	T54-A383 CarbonylContact O-C 3.52Å; T54-A383 VanDerWaalsContact O-CA 3.27Å; T54-A383 WeakPolarHBondContact O-CA 3.49Å; T54-A383 WeakPolarHBondContact O-CB 3.45Å; Y55-A383 HydrophobicContact CE1-CB 4.44Å; A378-A383 HydrophobicContact CB-CB 4.42Å; A378-A383 PolarHBondContact O-N 3.48Å; Y381-A383 PolarHBondContact O-N 3.48Å; A383-R385 PolarHBondContact O-N 3.49Å; A383-A386 WeakPolarHBondContact O-CB 3.43Å; A383-A386 PolarHBondContact O-N 3.3Å; A383-F544 HydrophobicContact CB-CE1 4.45Å; A383-F544 HydrophobicContact CB-CZ 4.34Å
384	S	85.7	Confident	89.6	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.063	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.2	173.5	-70.3	0	0	0	0	113.1	T54 Y55 K56 A386	T54-S384 PolarHBondContact O-N 3Å; Y55-S384 WeakPolarHBondContact CA-OG 3.39Å; K56-S384 WeakPolarHBondContact CA-OG 3.33Å; K56-S384 WeakPolarHBondContact CG-OG 3.3Å; K56-S384 PolarHBondContact N-OG 2.9Å; S384-A386 PolarHBondContact O-N 3.38Å
385	R	84.4	Confident	89.4	Confident	20 Å²	20	58.3 Å²	58.3	8%	0.075	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	8.7	173.1	-155.5	-177.7	-70.9	143.7	15.4	114.2	Q52 A383 I387 F544 F548	Q52-R385 VanDerWaalsContact C-NH2 3.34Å; Q52-R385 PolarHBondContact O-NH1 3.48Å; Q52-R385 PolarHBondContact O-NH2 2.87Å; A383-R385 PolarHBondContact O-N 3.49Å; R385-I387 PolarHBondContact O-N 3.06Å; R385-I387 VanDerWaalsContact O-N 3.12Å; R385-F544 HydrophobicContact CB-CZ 4.49Å; R385-F548 VanDerWaalsContact NH1-CD2 3.3Å
386	A	88.3	Confident	89.3	Confident	31 Å²	31	61.4 Å²	61.4	26%	0.256	32%	0.322	S	S	.	.			trans	-65.4	113.6	166.9	0	0	0	0	0	108.8	N375 A378 M379 A383 S384 P388	N375-A386 WeakPolarHBondContact OD1-CA 3.37Å; A378-A386 HydrophobicContact CB-CB 4.2Å; M379-A386 HydrophobicContact CG-CB 4.08Å; A383-A386 WeakPolarHBondContact O-CB 3.43Å; A383-A386 PolarHBondContact O-N 3.3Å; S384-A386 PolarHBondContact O-N 3.38Å; A386-P388 WeakPolarHBondContact O-CD 3.15Å
387	I	87.3	Confident	89.3	Confident	25 Å²	25	57.3 Å²	57.3	13%	0.128	31%	0.31	C	S	.	.			trans	-64.3	122.7	178.3	-58.4	174	0	0	0	108.2	L81 A371 N375 R385 T391 M392	L81-I387 HydrophobicContact CD2-CD1 4.37Å; L81-I387 HydrophobicContact CD2-CG2 4.31Å; A371-I387 HydrophobicContact CB-CD1 4.47Å; N375-I387 PolarHBondContact OD1-N 3.37Å; R385-I387 PolarHBondContact O-N 3.06Å; R385-I387 VanDerWaalsContact O-N 3.12Å; I387-T391 HydrophobicContact CG2-CG2 3.98Å; I387-M392 HydrophobicContact CB-CE 3.93Å; I387-M392 HydrophobicContact CG2-CE 4.22Å; I387-M392 HydrophobicContact CG2-CG 3.88Å
388	P	87.3	Confident	89.3	Confident	64 Å²	64	58.6 Å²	58.6	42%	0.416	32%	0.317	S	S	.	.			trans	-61.8	148.8	177	-23.5	33.8	0	0	0	112.3	A386 G390 T391 M392	A386-P388 WeakPolarHBondContact O-CD 3.15Å; P388-G390 VanDerWaalsContact C-N 3.25Å; P388-G390 PolarHBondContact O-N 3.4Å; P388-T391 WeakPolarHBondContact O-CB 3.46Å; P388-T391 PolarHBondContact O-N 2.98Å; P388-T391 VanDerWaalsContact O-N 3.12Å; P388-M392 PolarHBondContact O-N 3.28Å
389	F	86.8	Confident	89.4	Confident	164 Å²	164	59.3 Å²	59.3	72%	0.719	32%	0.321	S	S	*	.	H	α-helix	trans	-57.2	-38.2	179.4	178.7	-104.1	0	0	0	112.7	T391 M392 V393	F389-T391 VanDerWaalsContact C-N 3.33Å; F389-T391 PolarHBondContact O-N 2.63Å; F389-M392 WeakPolarHBondContact O-CB 3.47Å; F389-M392 PolarHBondContact O-N 3.13Å; F389-V393 HydrophobicContact CD1-CG2 4.18Å; F389-V393 HydrophobicContact CE1-CG2 3.67Å; F389-V393 HydrophobicContact CE2-CG2 4.14Å; F389-V393 HydrophobicContact CZ-CG2 3.65Å; F389-V393 WeakPolarHBondContact O-CG2 3.49Å; F389-V393 PolarHBondContact O-N 2.91Å
390	G	87.3	Confident	89.6	Confident	51 Å²	51	59.2 Å²	59.2	53%	0.526	32%	0.322	S	S	.	.	H	α-helix	trans	-58.6	-43.4	177.4	0	0	0	0	0	112.8	P388 M392 V393 A394	P388-G390 VanDerWaalsContact C-N 3.25Å; P388-G390 PolarHBondContact O-N 3.4Å; G390-M392 VanDerWaalsContact C-N 3.35Å; G390-M392 PolarHBondContact O-N 3.01Å; G390-V393 PolarHBondContact O-N 2.95Å; G390-A394 PolarHBondContact O-N 3.38Å
391	T	87.9	Confident	89.7	Confident	15 Å²	15	58.1 Å²	58.1	9%	0.092	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-39.6	176.9	-50.4	0	0	0	0	111.6	L77 A80 L81 I387 P388 F389 A394 V395	L77-T391 HydrophobicContact CD1-CG2 3.85Å; A80-T391 HydrophobicContact CB-CG2 4.19Å; L81-T391 HydrophobicContact CD2-CG2 3.58Å; L81-T391 HydrophobicContact CG-CG2 3.78Å; I387-T391 HydrophobicContact CG2-CG2 3.98Å; P388-T391 WeakPolarHBondContact O-CB 3.46Å; P388-T391 PolarHBondContact O-N 2.98Å; P388-T391 VanDerWaalsContact O-N 3.12Å; F389-T391 VanDerWaalsContact C-N 3.33Å; F389-T391 PolarHBondContact O-N 2.63Å; T391-A394 PolarHBondContact O-N 3.39Å; T391-V395 WeakPolarHBondContact O-CG2 3.32Å; T391-V395 PolarHBondContact O-N 2.94Å
392	M	88.6	Confident	90	Very high	48 Å²	48	57.5 Å²	57.5	24%	0.236	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-45.3	175.3	-61.9	-172.5	174.7	0	0	111.9	N375 I387 P388 F389 G390 A394 V395 C396	N375-M392 HydrophobicContact CB-CE 4.12Å; N375-M392 VanDerWaalsContact CG-CE 3.48Å; N375-M392 WeakPolarHBondContact ND2-CE 3.27Å; I387-M392 HydrophobicContact CB-CE 3.93Å; I387-M392 HydrophobicContact CG2-CE 4.22Å; I387-M392 HydrophobicContact CG2-CG 3.88Å; P388-M392 PolarHBondContact O-N 3.28Å; F389-M392 WeakPolarHBondContact O-CB 3.47Å; F389-M392 PolarHBondContact O-N 3.13Å; G390-M392 VanDerWaalsContact C-N 3.35Å; G390-M392 PolarHBondContact O-N 3.01Å; M392-A394 VanDerWaalsContact C-N 3.33Å; M392-A394 PolarHBondContact O-N 3.46Å; M392-V395 PolarHBondContact O-N 3.27Å; M392-C396 PolarHBondContact O-N 2.94Å; M392-C396 PolarHBondContact O-SG 2.93Å; M392-C396 VanDerWaalsContact O-SG 3.39Å
393	V	90.1	Very high	90.3	Very high	63 Å²	63	50.1 Å²	50.1	38%	0.382	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-41.6	176.6	175.8	0	0	0	0	110.6	F389 G390 V395 C396 C397	F389-V393 HydrophobicContact CD1-CG2 4.18Å; F389-V393 HydrophobicContact CE1-CG2 3.67Å; F389-V393 HydrophobicContact CE2-CG2 4.14Å; F389-V393 HydrophobicContact CZ-CG2 3.65Å; F389-V393 WeakPolarHBondContact O-CG2 3.49Å; F389-V393 PolarHBondContact O-N 2.91Å; G390-V393 PolarHBondContact O-N 2.95Å; V393-V395 PolarHBondContact O-N 2.76Å; V393-C396 WeakPolarHBondContact O-CB 3.44Å; V393-C396 PolarHBondContact O-N 3.39Å; V393-C397 PolarHBondContact O-N 2.91Å; V393-C397 PolarHBondContact O-SG 3.32Å; V393-C397 VanDerWaalsContact O-SG 3.33Å
394	A	90.3	Very high	90.7	Very high	37 Å²	37	51.5 Å²	51.5	31%	0.306	30%	0.297	S	S	.	.	H	α-helix	trans	-59.2	-45.8	176.3	0	0	0	0	0	112.1	L77 G390 T391 M392 C396 C397 I398	L77-A394 HydrophobicContact CD1-CB 4.22Å; G390-A394 PolarHBondContact O-N 3.38Å; T391-A394 PolarHBondContact O-N 3.39Å; M392-A394 VanDerWaalsContact C-N 3.33Å; M392-A394 PolarHBondContact O-N 3.46Å; A394-C396 PolarHBondContact O-N 3.49Å; A394-C397 WeakPolarHBondContact O-CB 3.34Å; A394-C397 PolarHBondContact O-N 2.86Å; A394-I398 WeakPolarHBondContact O-CG1 2.73Å; A394-I398 PolarHBondContact O-N 2.9Å
395	V	90.1	Very high	91.2	Very high	31 Å²	31	53.9 Å²	53.9	19%	0.188	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-40.9	175.9	174.4	0	0	0	0	111.5	L81 T391 M392 V393 C397 I398 C399	L81-V395 HydrophobicContact CD1-CG2 4.48Å; L81-V395 HydrophobicContact CD2-CG2 4.32Å; T391-V395 WeakPolarHBondContact O-CG2 3.32Å; T391-V395 PolarHBondContact O-N 2.94Å; M392-V395 PolarHBondContact O-N 3.27Å; V393-V395 PolarHBondContact O-N 2.76Å; V395-C397 VanDerWaalsContact C-N 3.34Å; V395-C397 PolarHBondContact O-N 3.46Å; V395-I398 PolarHBondContact O-N 3.27Å; V395-C399 PolarHBondContact O-N 2.89Å; V395-C399 PolarHBondContact O-SG 3.32Å
396	C	91	Very high	91.8	Very high	71 Å²	71	55.9 Å²	55.9	48%	0.48	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-42.1	173.3	-71.4	0	0	0	0	112	M392 V393 A394 C399 L400	M392-C396 PolarHBondContact O-N 2.94Å; M392-C396 PolarHBondContact O-SG 2.93Å; M392-C396 VanDerWaalsContact O-SG 3.39Å; V393-C396 WeakPolarHBondContact O-CB 3.44Å; V393-C396 PolarHBondContact O-N 3.39Å; A394-C396 PolarHBondContact O-N 3.49Å; C396-C399 WeakPolarHBondContact O-CB 3.36Å; C396-C399 PolarHBondContact O-N 3.02Å; C396-L400 WeakPolarHBondContact O-CG 3.47Å; C396-L400 PolarHBondContact O-N 3.47Å
397	C	93.7	Very high	92.2	Very high	51 Å²	51	54.4 Å²	54.4	35%	0.345	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-42.6	175.7	-72.9	0	0	0	0	111.9	V393 A394 V395 C399 L400 F401	V393-C397 PolarHBondContact O-N 2.91Å; V393-C397 PolarHBondContact O-SG 3.32Å; V393-C397 VanDerWaalsContact O-SG 3.33Å; A394-C397 WeakPolarHBondContact O-CB 3.34Å; A394-C397 PolarHBondContact O-N 2.86Å; V395-C397 VanDerWaalsContact C-N 3.34Å; V395-C397 PolarHBondContact O-N 3.46Å; C397-C399 VanDerWaalsContact C-N 3.29Å; C397-C399 PolarHBondContact O-N 3.33Å; C397-L400 PolarHBondContact O-N 2.74Å; C397-F401 HydrophobicContact CB-CD2 4.07Å; C397-F401 WeakPolarHBondContact O-CB 3.26Å; C397-F401 WeakPolarHBondContact O-CD2 3.35Å; C397-F401 PolarHBondContact O-N 3.4Å
398	I	93.3	Very high	92.7	Very high	41 Å²	41	56.2 Å²	56.2	21%	0.21	32%	0.322	C	S	.	.	I	π-helix	trans	-59.4	-43.1	174.2	-66.1	166.4	0	0	0	110.3	L77 I326 A330 A394 V395 V402 I403	L77-I398 HydrophobicContact CD2-CD1 3.85Å; I326-I398 HydrophobicContact CG2-CD1 4.33Å; A330-I398 HydrophobicContact CB-CG2 4.39Å; A394-I398 WeakPolarHBondContact O-CG1 2.73Å; A394-I398 PolarHBondContact O-N 2.9Å; V395-I398 PolarHBondContact O-N 3.27Å; I398-V402 HydrophobicContact CG2-CB 4.46Å; I398-V402 WeakPolarHBondContact O-CA 3.43Å; I398-V402 VanDerWaalsContact O-CB 3.3Å; I398-V402 WeakPolarHBondContact O-CB 3.46Å; I398-V402 PolarHBondContact O-N 2.85Å; I398-I403 HydrophobicContact CG2-CD1 4.2Å; I398-I403 HydrophobicContact CG2-CG1 4.47Å; I398-I403 PolarHBondContact O-N 3.32Å
399	C	94.1	Very high	93.2	Very high	15 Å²	15	56.8 Å²	56.8	10%	0.101	32%	0.324	C	S	.	.	I	π-helix	trans	-63.7	-43.4	178.2	-64.9	0	0	0	0	112.9	F361 V395 C396 C397 L404	F361-C399 HydrophobicContact CE1-CB 4.13Å; V395-C399 PolarHBondContact O-N 2.89Å; V395-C399 PolarHBondContact O-SG 3.32Å; C396-C399 WeakPolarHBondContact O-CB 3.36Å; C396-C399 PolarHBondContact O-N 3.02Å; C397-C399 VanDerWaalsContact C-N 3.29Å; C397-C399 PolarHBondContact O-N 3.33Å; C399-L404 WeakPolarHBondContact O-CB 3.38Å; C399-L404 PolarHBondContact O-N 2.66Å
400	L	94.3	Very high	93.7	Very high	88 Å²	88	49 Å²	49	46%	0.461	29%	0.291	S	S	.	.	I	π-helix	trans	-81.7	-39.7	-175	-67.5	176.3	0	0	0	113.7	F361 C396 C397 P405	F361-L400 HydrophobicContact CE1-CD2 4.22Å; F361-L400 HydrophobicContact CZ-CD2 3.88Å; C396-L400 WeakPolarHBondContact O-CG 3.47Å; C396-L400 PolarHBondContact O-N 3.47Å; C397-L400 PolarHBondContact O-N 2.74Å; L400-P405 WeakPolarHBondContact O-CD 3.36Å
401	F	95.9	Very high	94.2	Very high	156 Å²	156	46.6 Å²	46.6	68%	0.684	27%	0.266	S	S	*	.	I	π-helix	trans	-101.7	-17.7	-171.4	-63.8	-67.7	0	0	0	114	C397 P405	C397-F401 HydrophobicContact CB-CD2 4.07Å; C397-F401 WeakPolarHBondContact O-CB 3.26Å; C397-F401 WeakPolarHBondContact O-CD2 3.35Å; C397-F401 PolarHBondContact O-N 3.4Å; F401-P405 WeakPolarHBondContact O-CG 3.33Å
402	V	95.1	Very high	94.6	Very high	60 Å²	60	49.4 Å²	49.4	36%	0.364	28%	0.279	S	S	.	.	I	π-helix	trans	-113.3	-59	179	-172	0	0	0	0	110.8	A330 I398 P405 L406	A330-V402 HydrophobicContact CB-CG1 3.93Å; I398-V402 HydrophobicContact CG2-CB 4.46Å; I398-V402 WeakPolarHBondContact O-CA 3.43Å; I398-V402 VanDerWaalsContact O-CB 3.3Å; I398-V402 WeakPolarHBondContact O-CB 3.46Å; I398-V402 PolarHBondContact O-N 2.85Å; V402-P405 WeakPolarHBondContact O-CD 3.28Å; V402-L406 HydrophobicContact CG1-CD1 3.84Å; V402-L406 VanDerWaalsContact O-CB 3.32Å; V402-L406 WeakPolarHBondContact O-CB 3.3Å; V402-L406 VanDerWaalsContact O-CG 3.24Å; V402-L406 WeakPolarHBondContact O-CG 3.44Å; V402-L406 PolarHBondContact O-N 3.34Å
403	I	96.3	Very high	95	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.041	29%	0.29	C	S	.	.	I	π-helix	trans	-65.9	-50.6	-175	-65.8	167.6	0	0	0	111	Y329 A330 S333 I398 L406 N407	Y329-I403 HydrophobicContact CD1-CD1 3.96Å; Y329-I403 HydrophobicContact CE1-CD1 3.87Å; A330-I403 HydrophobicContact CB-CG1 4.11Å; S333-I403 PolarHBondContact OG-O 2.73Å; I398-I403 HydrophobicContact CG2-CD1 4.2Å; I398-I403 HydrophobicContact CG2-CG1 4.47Å; I398-I403 PolarHBondContact O-N 3.32Å; I403-L406 PolarHBondContact O-N 3.04Å; I403-N407 VanDerWaalsContact O-CB 3.26Å; I403-N407 WeakPolarHBondContact O-CB 3.37Å; I403-N407 PolarHBondContact O-N 3.41Å
404	L	96.6	Very high	95.3	Very high	33 Å²	33	48.3 Å²	48.3	17%	0.173	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-48.1	-176	177.4	67.4	0	0	0	113.5	M356 F357 A360 F361 C399 N407 L408	M356-L404 HydrophobicContact CE-CD1 3.8Å; F357-L404 HydrophobicContact CD1-CD1 4.18Å; F357-L404 HydrophobicContact CE1-CD1 3.98Å; F357-L404 HydrophobicContact CE1-CD2 4.1Å; A360-L404 HydrophobicContact CB-CD1 4.05Å; F361-L404 HydrophobicContact CE2-CD1 3.84Å; F361-L404 HydrophobicContact CE2-CD2 4.31Å; F361-L404 HydrophobicContact CE2-CG 4.47Å; F361-L404 HydrophobicContact CZ-CB 4.22Å; F361-L404 HydrophobicContact CZ-CD1 4.29Å; F361-L404 HydrophobicContact CZ-CD2 4.21Å; F361-L404 HydrophobicContact CZ-CG 4.48Å; C399-L404 WeakPolarHBondContact O-CB 3.38Å; C399-L404 PolarHBondContact O-N 2.66Å; L404-N407 PolarHBondContact O-N 3.1Å; L404-L408 PolarHBondContact O-N 3.16Å
405	P	97.1	Very high	95.5	Very high	59 Å²	59	49.4 Å²	49.4	38%	0.383	27%	0.268	S	S	.	.	H	α-helix	trans	-65.8	-41.5	177.4	-24.1	36.7	0	0	0	113.3	L400 F401 V402 N407 L408 V409	L400-P405 WeakPolarHBondContact O-CD 3.36Å; F401-P405 WeakPolarHBondContact O-CG 3.33Å; V402-P405 WeakPolarHBondContact O-CD 3.28Å; P405-N407 VanDerWaalsContact C-N 3.35Å; P405-N407 PolarHBondContact O-N 3.07Å; P405-L408 WeakPolarHBondContact O-CB 3.44Å; P405-L408 PolarHBondContact O-N 2.96Å; P405-V409 WeakPolarHBondContact O-CG2 3.19Å; P405-V409 PolarHBondContact O-N 3.22Å
406	L	96.6	Very high	95.7	Very high	62 Å²	62	53.9 Å²	53.9	33%	0.325	29%	0.291	S	S	.	.	H	α-helix	trans	-64.5	-40.4	177.5	-72.9	176.8	0	0	0	111.7	A330 P334 V402 I403 L408 V409 G410	A330-L406 VanDerWaalsContact O-CD1 3.31Å; A330-L406 WeakPolarHBondContact O-CD1 3.45Å; P334-L406 HydrophobicContact CG-CB 3.99Å; P334-L406 HydrophobicContact CG-CD2 4.31Å; V402-L406 HydrophobicContact CG1-CD1 3.84Å; V402-L406 VanDerWaalsContact O-CB 3.32Å; V402-L406 WeakPolarHBondContact O-CB 3.3Å; V402-L406 VanDerWaalsContact O-CG 3.24Å; V402-L406 WeakPolarHBondContact O-CG 3.44Å; V402-L406 PolarHBondContact O-N 3.34Å; I403-L406 PolarHBondContact O-N 3.04Å; L406-L408 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 3.08Å; L406-V409 PolarHBondContact O-N 3.17Å; L406-G410 PolarHBondContact O-N 3.46Å
407	N	97.3	Very high	95.8	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-38.8	174.4	-167.3	52.2	0	0	0	112.3	S333 G337 M356 A360 I403 L404 P405 G410 T411	S333-N407 PolarHBondContact O-OD1 3.27Å; S333-N407 WeakPolarHBondContact OG-CB 3.47Å; S333-N407 PolarHBondContact OG-N 3.46Å; G337-N407 WeakPolarHBondContact CA-OD1 3.35Å; G337-N407 PolarHBondContact N-OD1 3.26Å; M356-N407 PolarHBondContact O-ND2 3.49Å; A360-N407 HydrophobicContact CB-CB 4.21Å; A360-N407 PolarHBondContact N-ND2 3.31Å; I403-N407 VanDerWaalsContact O-CB 3.26Å; I403-N407 WeakPolarHBondContact O-CB 3.37Å; I403-N407 PolarHBondContact O-N 3.41Å; L404-N407 PolarHBondContact O-N 3.1Å; P405-N407 VanDerWaalsContact C-N 3.35Å; P405-N407 PolarHBondContact O-N 3.07Å; N407-G410 PolarHBondContact O-N 2.85Å; N407-T411 WeakPolarHBondContact O-CB 3.39Å; N407-T411 PolarHBondContact O-N 3.09Å; N407-T411 PolarHBondContact O-OG1 2.86Å
408	L	97.8	Very high	95.7	Very high	62 Å²	62	56 Å²	56	33%	0.325	30%	0.296	S	S	.	.	H	α-helix	trans	-59.7	-48.2	175.2	170.5	67.4	0	0	0	110.9	W352 M356 L404 P405 L406 G410 T411 I412	W352-L408 HydrophobicContact CZ3-CD1 4.13Å; M356-L408 HydrophobicContact SD-CB 3.67Å; M356-L408 HydrophobicContact SD-CD1 3.35Å; M356-L408 WeakPolarHBondContact SD-CD1 3.36Å; M356-L408 HydrophobicContact SD-CG 4.08Å; L404-L408 PolarHBondContact O-N 3.16Å; P405-L408 WeakPolarHBondContact O-CB 3.44Å; P405-L408 PolarHBondContact O-N 2.96Å; L406-L408 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 3.08Å; L408-G410 VanDerWaalsContact C-N 3.33Å; L408-G410 PolarHBondContact O-N 2.91Å; L408-T411 PolarHBondContact O-N 3.16Å; L408-T411 VanDerWaalsContact O-N 3.15Å; L408-I412 HydrophobicContact CD1-CD1 3.84Å; L408-I412 HydrophobicContact CD1-CG1 4.2Å; L408-I412 HydrophobicContact CG-CD1 4.01Å; L408-I412 WeakPolarHBondContact O-CG1 3.37Å; L408-I412 PolarHBondContact O-N 3.29Å
409	V	97.6	Very high	95.4	Very high	77 Å²	77	54.3 Å²	54.3	47%	0.467	29%	0.289	S	S	.	.	H	α-helix	trans	-56.9	-48.8	176.2	173.5	0	0	0	0	110.3	P405 L406 T411 I412 L413	P405-V409 WeakPolarHBondContact O-CG2 3.19Å; P405-V409 PolarHBondContact O-N 3.22Å; L406-V409 PolarHBondContact O-N 3.17Å; V409-T411 VanDerWaalsContact C-N 3.31Å; V409-T411 PolarHBondContact O-N 3.47Å; V409-I412 PolarHBondContact O-N 2.79Å; V409-L413 HydrophobicContact CG1-CD1 3.98Å; V409-L413 HydrophobicContact CG1-CG 4.47Å; V409-L413 WeakPolarHBondContact O-CG 3.24Å; V409-L413 PolarHBondContact O-N 3.3Å
410	G	97.1	Very high	95.2	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-56	-44.5	175.3	0	0	0	0	0	112.9	P334 G337 Y338 L406 N407 L408 L413 G414	P334-G410 WeakPolarHBondContact O-CA 3.29Å; G337-G410 CarbonylContact C-O 3.45Å; Y338-G410 WeakPolarHBondContact CA-O 3.26Å; Y338-G410 PolarHBondContact N-O 3.36Å; L406-G410 PolarHBondContact O-N 3.46Å; N407-G410 PolarHBondContact O-N 2.85Å; L408-G410 VanDerWaalsContact C-N 3.33Å; L408-G410 PolarHBondContact O-N 2.91Å; G410-L413 PolarHBondContact O-N 3.46Å; G410-G414 PolarHBondContact O-N 2.85Å
411	T	96.9	Very high	94.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.4	-43.6	-179.4	-61.9	0	0	0	0	112.1	G337 W352 M356 N407 L408 V409 G414 R415	G337-T411 VanDerWaalsContact CA-OG1 3.25Å; G337-T411 WeakPolarHBondContact CA-OG1 3.42Å; G337-T411 VanDerWaalsContact O-CA 3.27Å; G337-T411 WeakPolarHBondContact O-CA 3.45Å; W352-T411 HydrophobicContact CE3-CG2 4.3Å; M356-T411 HydrophobicContact CB-CG2 4.21Å; M356-T411 HydrophobicContact CG-CG2 4.42Å; N407-T411 WeakPolarHBondContact O-CB 3.39Å; N407-T411 PolarHBondContact O-N 3.09Å; N407-T411 PolarHBondContact O-OG1 2.86Å; L408-T411 PolarHBondContact O-N 3.16Å; L408-T411 VanDerWaalsContact O-N 3.15Å; V409-T411 VanDerWaalsContact C-N 3.31Å; V409-T411 PolarHBondContact O-N 3.47Å; T411-G414 PolarHBondContact O-N 3.3Å; T411-R415 HydrophobicContact CG2-CG 4.39Å; T411-R415 WeakPolarHBondContact O-CB 3.37Å; T411-R415 WeakPolarHBondContact O-CG 3.41Å; T411-R415 PolarHBondContact O-N 3.49Å
412	I	97.1	Very high	94.3	Very high	74 Å²	74	59.2 Å²	59.2	38%	0.379	32%	0.321	S	S	.	.	H	α-helix	trans	-63.5	-46.7	177.3	-65.9	168.1	0	0	0	110.1	L408 V409 R415 N416	L408-I412 HydrophobicContact CD1-CD1 3.84Å; L408-I412 HydrophobicContact CD1-CG1 4.2Å; L408-I412 HydrophobicContact CG-CD1 4.01Å; L408-I412 WeakPolarHBondContact O-CG1 3.37Å; L408-I412 PolarHBondContact O-N 3.29Å; V409-I412 PolarHBondContact O-N 2.79Å; I412-R415 PolarHBondContact O-N 2.79Å; I412-N416 WeakPolarHBondContact O-CB 3.29Å; I412-N416 PolarHBondContact O-N 2.96Å; I412-N416 PolarHBondContact O-ND2 3.01Å
413	L	96.7	Very high	93.8	Very high	87 Å²	87	60.1 Å²	60.1	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-47.3	177.8	-69.8	175.1	0	0	0	111.9	Y338 V409 G410 R415 N416 L417	Y338-L413 HydrophobicContact CD2-CB 4.27Å; V409-L413 HydrophobicContact CG1-CD1 3.98Å; V409-L413 HydrophobicContact CG1-CG 4.47Å; V409-L413 WeakPolarHBondContact O-CG 3.24Å; V409-L413 PolarHBondContact O-N 3.3Å; G410-L413 PolarHBondContact O-N 3.46Å; L413-R415 PolarHBondContact O-N 3Å; L413-N416 PolarHBondContact O-N 3.31Å; L413-L417 HydrophobicContact CB-CD1 4.48Å; L413-L417 VanDerWaalsContact O-CB 3.3Å; L413-L417 WeakPolarHBondContact O-CB 3.45Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 2.97Å
414	G	95.8	Very high	93.3	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-41.9	-180	0	0	0	0	0	112.9	Y338 S342 G410 T411 S418 G419	Y338-G414 VanDerWaalsContact CD2-CA 3.4Å; S342-G414 WeakPolarHBondContact CA-O 3.24Å; S342-G414 WeakPolarHBondContact CB-O 3.3Å; G410-G414 PolarHBondContact O-N 2.85Å; T411-G414 PolarHBondContact O-N 3.3Å; G414-S418 CarbonylContact O-C 3.48Å; G414-S418 WeakPolarHBondContact O-CA 3.43Å; G414-S418 PolarHBondContact O-N 2.91Å; G414-G419 PolarHBondContact O-N 3.43Å; G414-G419 VanDerWaalsContact O-N 3.15Å
415	R	94.9	Very high	92.6	Very high	60 Å²	60	60.9 Å²	60.9	23%	0.226	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-41.3	177.8	-71.5	174.7	65.3	75.5	0.2	112.4	G341 A345 W352 T411 I412 L413 G419	G341-R415 WeakPolarHBondContact O-CG 3.47Å; A345-R415 HydrophobicContact CB-CB 4.49Å; A345-R415 HydrophobicContact CB-CG 4.15Å; W352-R415 VanDerWaalsContact CG-CZ 3.5Å; T411-R415 HydrophobicContact CG2-CG 4.39Å; T411-R415 WeakPolarHBondContact O-CB 3.37Å; T411-R415 WeakPolarHBondContact O-CG 3.41Å; T411-R415 PolarHBondContact O-N 3.49Å; I412-R415 PolarHBondContact O-N 2.79Å; L413-R415 PolarHBondContact O-N 3Å; R415-G419 WeakPolarHBondContact O-CA 3.27Å; R415-G419 PolarHBondContact O-N 3.46Å; R415-G419 VanDerWaalsContact O-N 3.1Å
416	N	94.4	Very high	92.1	Very high	125 Å²	125	68.8 Å²	68.8	67%	0.668	35%	0.35	S	S	*	.	H	α-helix	trans	-79.5	-40.8	-176	-69.5	-15.3	0	0	0	112.5	I412 L413	I412-N416 WeakPolarHBondContact O-CB 3.29Å; I412-N416 PolarHBondContact O-N 2.96Å; I412-N416 PolarHBondContact O-ND2 3.01Å; L413-N416 PolarHBondContact O-N 3.31Å
417	L	93.7	Very high	91.7	Very high	128 Å²	128	68.1 Å²	68.1	67%	0.67	35%	0.348	S	S	*	.	H	α-helix	trans	-84.2	-34.8	-175.6	-64.6	174.5	0	0	0	113.3	Y338 L413	Y338-L417 HydrophobicContact CE2-CD1 4.32Å; L413-L417 HydrophobicContact CB-CD1 4.48Å; L413-L417 VanDerWaalsContact O-CB 3.3Å; L413-L417 WeakPolarHBondContact O-CB 3.45Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 2.97Å
418	S	91.1	Very high	91.2	Very high	38 Å²	38	71.8 Å²	71.8	27%	0.266	37%	0.368	S	S	.	.	H	α-helix	trans	-132.5	10	-171.8	-77.9	0	0	0	0	113.1	Y338 K346 G414 Q420	Y338-S418 PolarHBondContact OH-OG 3.38Å; Y338-S418 VanDerWaalsContact OH-OG 3.09Å; K346-S418 WeakPolarHBondContact CE-O 3.44Å; K346-S418 WeakPolarHBondContact CG-O 3.36Å; G414-S418 CarbonylContact O-C 3.48Å; G414-S418 WeakPolarHBondContact O-CA 3.43Å; G414-S418 PolarHBondContact O-N 2.91Å; S418-Q420 PolarHBondContact O-N 3.35Å
419	G	87.6	Confident	90.6	Very high	7 Å²	7	73.6 Å²	73.6	7%	0.072	39%	0.392	C	S	.	.			trans	-80.9	-10.4	-176.2	0	0	0	0	0	115.4	A345 K346 G414 R415	A345-G419 CarbonylContact C-O 3.55Å; A345-G419 VanDerWaalsContact C-O 3.25Å; K346-G419 WeakPolarHBondContact CA-O 3.37Å; K346-G419 PolarHBondContact N-O 3.37Å; K346-G419 VanDerWaalsContact N-O 3.17Å; G414-G419 PolarHBondContact O-N 3.43Å; G414-G419 VanDerWaalsContact O-N 3.15Å; R415-G419 WeakPolarHBondContact O-CA 3.27Å; R415-G419 PolarHBondContact O-N 3.46Å; R415-G419 VanDerWaalsContact O-N 3.1Å
420	Q	89.4	Confident	90.1	Very high	166 Å²	166	75.4 Å²	75.4	78%	0.776	40%	0.403	S	S	*	.	S	Bend	trans	-75.3	130.1	179.9	-65.9	-160.5	-0.2	0	0	111.5	S418 N422	S418-Q420 PolarHBondContact O-N 3.35Å; Q420-N422 PolarHBondContact O-N 2.91Å
421	P	85.7	Confident	89.6	Confident	75 Å²	75	78.5 Å²	78.5	49%	0.487	42%	0.423	S	S	.	.			trans	-66.6	121.6	173.8	-10.4	23.5	0	0	0	110.2	K346 F423	K346-P421 WeakPolarHBondContact O-CG 3.36Å; P421-F423 HydrophobicContact CB-CD2 4.02Å; P421-F423 HydrophobicContact CB-CE2 3.52Å; P421-F423 HydrophobicContact CB-CZ 3.84Å
422	N	85	Confident	89.1	Confident	120 Å²	120	83 Å²	83	64%	0.642	44%	0.44	S	S	*	.			trans	-126.4	77.9	174.2	-174.4	0.9	0	0	0	108.8	Q420 R577	Q420-N422 PolarHBondContact O-N 2.91Å; N422-R577 PolarHBondContact O-NH2 2.94Å
423	F	85.6	Confident	88.6	Confident	79 Å²	79	84.7 Å²	84.7	35%	0.346	46%	0.456	S	S	.	.			trans	-89	133.6	-177.4	-57.8	-50.9	0	0	0	110.6	F279 P421 C425 V427	F279-F423 HydrophobicContact CB-CB 4.05Å; F279-F423 HydrophobicContact CB-CD1 3.55Å; F279-F423 HydrophobicContact CB-CD2 4.29Å; F279-F423 HydrophobicContact CB-CE1 4.01Å; F279-F423 HydrophobicContact CB-CG 3.71Å; F279-F423 AromaticContact CD1-CD1 3.76Å; F279-F423 HydrophobicContact CD1-CD1 3.76Å; F279-F423 HydrophobicContact CD1-CE1 4.39Å; F279-F423 HydrophobicContact CD1-CG 4.5Å; F279-F423 HydrophobicContact CD2-CB 4.31Å; F279-F423 HydrophobicContact CG-CB 4.06Å; F279-F423 AromaticContact CG-CD1 3.8Å; F279-F423 HydrophobicContact CG-CD1 3.8Å; F279-F423 HydrophobicContact CG-CG 4.11Å; P421-F423 HydrophobicContact CB-CD2 4.02Å; P421-F423 HydrophobicContact CB-CE2 3.52Å; P421-F423 HydrophobicContact CB-CZ 3.84Å; F423-C425 PolarHBondContact O-N 3.49Å; F423-V427 HydrophobicContact CD2-CG2 4.14Å
424	P	84.6	Confident	88.2	Confident	48 Å²	48	83.1 Å²	83.1	31%	0.312	45%	0.447	S	S	.	.	S	Bend	trans	-60.1	-31.9	177	-24.4	32.7	0	0	0	114.3	F279 R577 T581	F279-P424 HydrophobicContact CE1-CG 4.48Å; F279-P424 HydrophobicContact CE2-CB 4.33Å; F279-P424 HydrophobicContact CE2-CG 4.1Å; F279-P424 HydrophobicContact CZ-CB 4.47Å; F279-P424 HydrophobicContact CZ-CG 3.8Å; P424-R577 HydrophobicContact CG-CB 4.45Å; P424-T581 WeakPolarHBondContact CG-OG1 3.17Å
425	C	83.6	Confident	87.8	Confident	10 Å²	10	85.8 Å²	85.8	7%	0.068	46%	0.464	C	S	.	.	S	Bend	trans	-121.4	150.7	-177.3	-53.3	0	0	0	0	110.4	F279 F423 I585	F279-C425 HydrophobicContact CD2-CB 4.41Å; F279-C425 HydrophobicContact CE2-CB 4.41Å; F423-C425 PolarHBondContact O-N 3.49Å; C425-I585 HydrophobicContact CB-CD1 4.21Å
426	R	85.2	Confident	87.3	Confident	224 Å²	224	92.5 Å²	92.5	85%	0.845	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-65.5	133.3	172.3	-177.1	178.4	179	178.5	0	109.7
427	V	87.9	Confident	86.7	Confident	48 Å²	48	89 Å²	89	29%	0.291	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-85.1	128.8	176	-176.3	0	0	0	0	109.9	G276 F279 R280 F423	G276-V427 CarbonylContact O-C 3.39Å; G276-V427 VanDerWaalsContact O-CA 3.28Å; G276-V427 WeakPolarHBondContact O-CA 3.47Å; F279-V427 HydrophobicContact CB-CG2 3.92Å; R280-V427 HydrophobicContact CG-CG1 3.61Å; F423-V427 HydrophobicContact CD2-CG2 4.14Å
428	N	87.4	Confident	86.4	Confident	78 Å²	78	90 Å²	90	42%	0.417	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-66.1	149.3	177.4	-74.2	-22.2	0	0	0	111.3	G276 R280	G276-N428 PolarHBondContact O-N 3.19Å; R280-N428 VanDerWaalsContact CZ-O 3.29Å; R280-N428 PolarHBondContact NH1-O 3.46Å; R280-N428 PolarHBondContact NH2-O 3.16Å
429	A	85.6	Confident	86.2	Confident	101 Å²	101	97 Å²	97	84%	0.835	50%	0.497	S	S	*	.	S	Bend	trans	-69.8	-48.3	176.9	0	0	0	0	0	111.4	R280	R280-A429 PolarHBondContact NH1-O 2.63Å
430	V	86.8	Confident	86	Confident	115 Å²	115	101 Å²	101	70%	0.697	51%	0.512	S	S	*	.	S	Bend	trans	-98.7	128.5	-177.8	-178.1	0	0	0	0	109.9	R280	R280-V430 PolarHBondContact NH2-O 3.36Å
431	P	86.8	Confident	85.7	Confident	65 Å²	65	94.8 Å²	94.8	42%	0.422	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-68.2	135.4	178.1	26.8	-32.7	0	0	0	111.1	R280 Y509	R280-P431 VanDerWaalsContact NH2-CA 3.3Å; R280-P431 VanDerWaalsContact NH2-N 3.17Å; P431-Y509 WeakPolarHBondContact CB-OH 3.49Å
432	R	86	Confident	85.9	Confident	94 Å²	94	95.6 Å²	95.6	36%	0.355	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-66.8	141.9	173.3	-168.6	179.7	-178	-149.7	1.2	111.1	Q273 D277 E507	Q273-R432 VanDerWaalsContact OE1-CZ 3.23Å; D277-R432 WeakPolarHBondContact OD2-CB 3.42Å; D277-R432 PolarHBondContact OD2-N 3.25Å; D277-R432 VanDerWaalsContact OD2-N 3.11Å; R432-E507 IonicContact CZ-OE2 3.22Å; R432-E507 IonicContact NH1-OE2 3.56Å; R432-E507 PolarHBondContact NH1-OE2 2.93Å; R432-E507 IonicContact NH2-OE2 3.2Å
433	P	87.3	Confident	86.1	Confident	111 Å²	111	91.4 Å²	91.4	72%	0.721	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-63.2	137.2	170.4	26.2	-34.3	0	0	0	110.6
434	I	87.9	Confident	86.4	Confident	53 Å²	53	90.8 Å²	90.8	27%	0.272	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-85.3	127.1	178.7	-59.9	168.3	0	0	0	107.8	D508 Y509	I434-D508 HydrophobicContact CG2-CB 4.1Å; I434-Y509 HydrophobicContact CD1-CE1 4.28Å; I434-Y509 HydrophobicContact CG1-CD1 4.5Å; I434-Y509 HydrophobicContact CG1-CE1 4.08Å
435	P	86.9	Confident	86.8	Confident	56 Å²	56	90 Å²	90	36%	0.364	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-68.1	161.8	179.7	28.6	-34.7	0	0	0	112	K437 E507	P435-K437 PolarHBondContact O-N 3.28Å; P435-E507 HydrophobicContact CG-CB 3.75Å
436	E	84.3	Confident	87.2	Confident	201 Å²	201	90.1 Å²	90.1	94%	0.939	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-65	127.2	171.2	-67.5	-172.4	175.2	0	0	110.1
437	K	83.1	Confident	87.7	Confident	53 Å²	53	80.7 Å²	80.7	23%	0.23	43%	0.431	C	S	.	.			trans	-110.1	155.2	-176.4	60.2	-166.8	164.5	-168.2	0	110.9	P435 M441 E442 A506 D508	P435-K437 PolarHBondContact O-N 3.28Å; K437-M441 HydrophobicContact CB-CB 4.28Å; K437-E442 HydrophobicContact CG-CG 4.34Å; K437-A506 HydrophobicContact CB-CB 4.49Å; K437-D508 IonicContact NZ-OD2 3.66Å; K437-D508 PolarHBondContact NZ-OD2 3.29Å
438	K	87.1	Confident	87.9	Confident	147 Å²	147	81.9 Å²	81.9	64%	0.639	44%	0.441	S	S	*	.			trans	-64.6	150.2	172.9	-60	-178.3	-177.3	-179.6	0	109.9	F440 M441	K438-F440 HydrophobicContact CB-CD1 3.89Å; K438-F440 HydrophobicContact CB-CE1 3.53Å; K438-F440 HydrophobicContact CB-CZ 4.05Å; K438-F440 HydrophobicContact CD-CE1 3.54Å; K438-F440 HydrophobicContact CD-CZ 3.69Å; K438-F440 HydrophobicContact CG-CE1 4.16Å; K438-F440 HydrophobicContact CG-CZ 4.49Å; K438-F440 PolarHBondContact O-N 3.05Å; K438-F440 VanDerWaalsContact O-N 3.1Å; K438-M441 WeakPolarHBondContact O-CB 3.39Å; K438-M441 PolarHBondContact O-N 3.01Å
439	W	86.9	Confident	88.1	Confident	186 Å²	186	83 Å²	83	71%	0.705	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-50.7	-39.9	-176.3	76.1	-88.3	0	0	0	114	M441 E442 V445	W439-M441 VanDerWaalsContact C-N 3.28Å; W439-M441 PolarHBondContact O-N 3.08Å; W439-E442 WeakPolarHBondContact O-CB 3.46Å; W439-E442 WeakPolarHBondContact O-CG 3.38Å; W439-E442 PolarHBondContact O-N 3.26Å; W439-V445 HydrophobicContact CE3-CG2 4.37Å; W439-V445 HydrophobicContact CZ3-CG1 4.22Å; W439-V445 WeakPolarHBondContact O-CG2 3.37Å
440	F	83.9	Confident	88.4	Confident	90 Å²	90	78.3 Å²	78.3	40%	0.395	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-75.8	-13.7	-178.8	64.3	-93.7	0	0	0	114.1	K438 E442	K438-F440 HydrophobicContact CB-CD1 3.89Å; K438-F440 HydrophobicContact CB-CE1 3.53Å; K438-F440 HydrophobicContact CB-CZ 4.05Å; K438-F440 HydrophobicContact CD-CE1 3.54Å; K438-F440 HydrophobicContact CD-CZ 3.69Å; K438-F440 HydrophobicContact CG-CE1 4.16Å; K438-F440 HydrophobicContact CG-CZ 4.49Å; K438-F440 PolarHBondContact O-N 3.05Å; K438-F440 VanDerWaalsContact O-N 3.1Å; F440-E442 VanDerWaalsContact C-N 3.34Å
441	M	82.4	Confident	88.7	Confident	36 Å²	36	72.9 Å²	72.9	18%	0.177	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-92.4	3	174.1	-63.8	-58.1	-157.3	0	0	112.1	K437 K438 W439 I446 F502 A506	K437-M441 HydrophobicContact CB-CB 4.28Å; K438-M441 WeakPolarHBondContact O-CB 3.39Å; K438-M441 PolarHBondContact O-N 3.01Å; W439-M441 VanDerWaalsContact C-N 3.28Å; W439-M441 PolarHBondContact O-N 3.08Å; M441-I446 WeakPolarHBondContact O-CD1 3.42Å; M441-F502 HydrophobicContact CE-CB 4.49Å; M441-F502 HydrophobicContact CE-CD1 3.82Å; M441-F502 HydrophobicContact SD-CB 4.04Å; M441-F502 HydrophobicContact SD-CD1 4.33Å; M441-F502 HydrophobicContact SD-CG 4.47Å; M441-A506 HydrophobicContact CB-CB 4.11Å; M441-A506 HydrophobicContact CG-CB 4.43Å
442	E	89.7	Confident	88.9	Confident	92 Å²	92	73.3 Å²	73.3	43%	0.43	37%	0.373	S	S	.	.	S	Bend	trans	-68.5	137.6	174.5	-70.1	-171.1	173.6	0	0	111.6	K437 W439 F440 A444 V445 I446	K437-E442 HydrophobicContact CG-CG 4.34Å; W439-E442 WeakPolarHBondContact O-CB 3.46Å; W439-E442 WeakPolarHBondContact O-CG 3.38Å; W439-E442 PolarHBondContact O-N 3.26Å; F440-E442 VanDerWaalsContact C-N 3.34Å; E442-A444 PolarHBondContact O-N 3.48Å; E442-A444 VanDerWaalsContact O-N 3.13Å; E442-V445 HydrophobicContact CB-CG2 4.32Å; E442-V445 PolarHBondContact O-N 3.29Å; E442-I446 WeakPolarHBondContact O-CG1 3.48Å; E442-I446 PolarHBondContact O-N 3.34Å
443	P	89.7	Confident	89.1	Confident	32 Å²	32	71.9 Å²	71.9	21%	0.208	37%	0.372	C	S	.	.	H	α-helix	trans	-52.7	-38.2	-179.6	-29	31.4	0	0	0	113.3	I446 V447 L503 T514	P443-I446 PolarHBondContact O-N 3.21Å; P443-V447 VanDerWaalsContact O-CB 3.28Å; P443-V447 WeakPolarHBondContact O-CB 3.46Å; P443-V447 WeakPolarHBondContact O-CG2 3.4Å; P443-V447 PolarHBondContact O-N 3.47Å; P443-L503 HydrophobicContact CG-CD1 3.91Å; P443-T514 HydrophobicContact CB-CG2 4.39Å
444	A	91.8	Very high	89.4	Confident	66 Å²	66	66.7 Å²	66.7	55%	0.545	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-45.3	178.6	0	0	0	0	0	112	E442 V447 C448	E442-A444 PolarHBondContact O-N 3.48Å; E442-A444 VanDerWaalsContact O-N 3.13Å; A444-V447 PolarHBondContact O-N 2.88Å; A444-C448 PolarHBondContact O-N 3.44Å; A444-C448 PolarHBondContact O-SG 3.21Å; A444-C448 VanDerWaalsContact O-SG 3.34Å
445	V	93.1	Very high	89.7	Confident	33 Å²	33	65.7 Å²	65.7	20%	0.2	33%	0.332	C	S	.	.	H	α-helix	trans	-66.8	-43.9	178.5	-178.3	0	0	0	0	110.6	W439 E442 V447 C448 L449	W439-V445 HydrophobicContact CE3-CG2 4.37Å; W439-V445 HydrophobicContact CZ3-CG1 4.22Å; W439-V445 WeakPolarHBondContact O-CG2 3.37Å; E442-V445 HydrophobicContact CB-CG2 4.32Å; E442-V445 PolarHBondContact O-N 3.29Å; V445-V447 VanDerWaalsContact C-N 3.33Å; V445-V447 PolarHBondContact O-N 2.85Å; V445-C448 PolarHBondContact O-N 3.24Å; V445-L449 HydrophobicContact CG1-CD1 3.9Å; V445-L449 HydrophobicContact CG1-CG 4.38Å; V445-L449 WeakPolarHBondContact O-CG 3.27Å; V445-L449 PolarHBondContact O-N 2.91Å
446	I	92.1	Very high	89.9	Confident	12 Å²	12	65 Å²	65	6%	0.062	34%	0.335	C	S	.	.	H	α-helix	trans	-59.7	-43.9	176.2	-64.8	173	0	0	0	111	M441 E442 P443 L449 G450 C499 L503 T514	M441-I446 WeakPolarHBondContact O-CD1 3.42Å; E442-I446 WeakPolarHBondContact O-CG1 3.48Å; E442-I446 PolarHBondContact O-N 3.34Å; P443-I446 PolarHBondContact O-N 3.21Å; I446-L449 PolarHBondContact O-N 2.7Å; I446-G450 PolarHBondContact O-N 2.86Å; I446-C499 HydrophobicContact CG2-CB 3.45Å; I446-C499 VanDerWaalsContact CG2-CB 3.45Å; I446-L503 HydrophobicContact CD1-CB 4.28Å; I446-L503 HydrophobicContact CD1-CD1 4.23Å; I446-T514 HydrophobicContact CG2-CG2 4.15Å
447	V	94.6	Very high	90.1	Very high	26 Å²	26	55.6 Å²	55.6	16%	0.158	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-46.8	178.8	163.1	0	0	0	0	111.3	P443 A444 V445 G450 T514 L517 S521	P443-V447 VanDerWaalsContact O-CB 3.28Å; P443-V447 WeakPolarHBondContact O-CB 3.46Å; P443-V447 WeakPolarHBondContact O-CG2 3.4Å; P443-V447 PolarHBondContact O-N 3.47Å; A444-V447 PolarHBondContact O-N 2.88Å; V445-V447 VanDerWaalsContact C-N 3.33Å; V445-V447 PolarHBondContact O-N 2.85Å; V447-G450 PolarHBondContact O-N 3.43Å; V447-T514 HydrophobicContact CG2-CG2 4.21Å; V447-L517 HydrophobicContact CB-CB 4.43Å; V447-L517 HydrophobicContact CG1-CB 3.83Å; V447-L517 HydrophobicContact CG2-CB 3.65Å; V447-S521 WeakPolarHBondContact O-CB 3.2Å; V447-S521 PolarHBondContact O-OG 3.25Å
448	C	93.5	Very high	90.5	Very high	72 Å²	72	53.4 Å²	53.4	49%	0.486	28%	0.282	S	S	.	.	H	α-helix	trans	-59.9	-52.1	176.9	-71.4	0	0	0	0	110.8	A444 V445 G450 Y525	A444-C448 PolarHBondContact O-N 3.44Å; A444-C448 PolarHBondContact O-SG 3.21Å; A444-C448 VanDerWaalsContact O-SG 3.34Å; V445-C448 PolarHBondContact O-N 3.24Å; C448-G450 VanDerWaalsContact C-N 3.32Å; C448-G450 PolarHBondContact O-N 2.83Å; C448-Y525 WeakPolarHBondContact O-CE2 3.46Å; C448-Y525 PolarHBondContact O-OH 2.94Å
449	L	91.4	Very high	90.6	Very high	103 Å²	103	49.9 Å²	49.9	54%	0.539	27%	0.267	S	S	.	.	H	α-helix	trans	-66.7	-31.2	-177	-66	176.8	0	0	0	113.6	V445 I446 G451 I452	V445-L449 HydrophobicContact CG1-CD1 3.9Å; V445-L449 HydrophobicContact CG1-CG 4.38Å; V445-L449 WeakPolarHBondContact O-CG 3.27Å; V445-L449 PolarHBondContact O-N 2.91Å; I446-L449 PolarHBondContact O-N 2.7Å; L449-G451 PolarHBondContact O-N 2.83Å; L449-I452 HydrophobicContact CD2-CD1 3.85Å; L449-I452 PolarHBondContact O-N 2.6Å
450	G	91.1	Very high	90.6	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-29.9	-177.5	0	0	0	0	0	114.3	I446 V447 C448 I452 P454 V495 S518	I446-G450 PolarHBondContact O-N 2.86Å; V447-G450 PolarHBondContact O-N 3.43Å; C448-G450 VanDerWaalsContact C-N 3.32Å; C448-G450 PolarHBondContact O-N 2.83Å; G450-I452 PolarHBondContact O-N 3.26Å; G450-P454 WeakPolarHBondContact O-CD 3.42Å; G450-V495 VanDerWaalsContact O-CG1 3.25Å; G450-V495 WeakPolarHBondContact O-CG1 3.45Å; G450-S518 CarbonylContact C-O 3.51Å
451	G	92.2	Very high	90.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-16.4	-175.9	0	0	0	0	0	114.9	L449 P454 F455 S518 S521 T522	L449-G451 PolarHBondContact O-N 2.83Å; G451-P454 WeakPolarHBondContact O-CD 3.27Å; G451-F455 VanDerWaalsContact O-CB 3.25Å; G451-F455 WeakPolarHBondContact O-CB 3.2Å; G451-F455 PolarHBondContact O-N 3.13Å; G451-F455 VanDerWaalsContact O-N 3.11Å; G451-S518 PolarHBondContact N-O 2.82Å; G451-S521 WeakPolarHBondContact CA-OG 3.24Å; G451-S521 PolarHBondContact N-OG 2.9Å; G451-S521 VanDerWaalsContact N-OG 3.08Å; G451-T522 PolarHBondContact O-OG1 3.32Å
452	I	92.6	Very high	91	Very high	74 Å²	74	38.4 Å²	38.4	38%	0.379	22%	0.223	S	C	.	.	H	α-helix	trans	-65.6	-48.2	-172.3	-62.1	174.7	0	0	0	111.4	L449 G450 F455 G456 Y525	L449-I452 HydrophobicContact CD2-CD1 3.85Å; L449-I452 PolarHBondContact O-N 2.6Å; G450-I452 PolarHBondContact O-N 3.26Å; I452-F455 PolarHBondContact O-N 3.43Å; I452-G456 PolarHBondContact O-N 2.76Å; I452-Y525 HydrophobicContact CG1-CE1 3.96Å; I452-Y525 HydrophobicContact CG1-CE2 3.92Å; I452-Y525 VanDerWaalsContact CG1-CZ 3.44Å; I452-Y525 VanDerWaalsContact CG1-OH 3.23Å; I452-Y525 WeakPolarHBondContact CG1-OH 3.47Å
453	L	90.3	Very high	90.9	Very high	65 Å²	65	37.5 Å²	37.5	34%	0.34	22%	0.216	S	C	.	.	H	α-helix	trans	-70.5	-45.9	-175.4	-60.4	180	0	0	0	112.8	M229 L233 F455 G456 S457 V495	M229-L453 HydrophobicContact CE-CD2 3.71Å; L233-L453 HydrophobicContact CD1-CD1 4.36Å; L233-L453 HydrophobicContact CD2-CD1 3.85Å; L453-F455 VanDerWaalsContact C-N 3.29Å; L453-F455 PolarHBondContact O-N 3.36Å; L453-G456 PolarHBondContact O-N 2.97Å; L453-S457 PolarHBondContact O-N 3.49Å; L453-S457 VanDerWaalsContact O-N 3.08Å; L453-V495 HydrophobicContact CB-CG2 4.03Å; L453-V495 HydrophobicContact CD1-CG2 4.11Å
454	P	93.3	Very high	90.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-37.7	173.2	-15.7	26	0	0	0	112.4	G450 G451 S457 I458 L488 V491 T492 V495 T522	G450-P454 WeakPolarHBondContact O-CD 3.42Å; G451-P454 WeakPolarHBondContact O-CD 3.27Å; P454-S457 PolarHBondContact O-N 3.39Å; P454-S457 PolarHBondContact O-OG 2.91Å; P454-I458 PolarHBondContact O-N 3.36Å; P454-L488 HydrophobicContact CB-CD1 4.02Å; P454-V491 HydrophobicContact CB-CG1 4.05Å; P454-V491 HydrophobicContact CG-CG1 4.01Å; P454-T492 HydrophobicContact CB-CG2 3.77Å; P454-T492 HydrophobicContact CG-CG2 4.04Å; P454-V495 HydrophobicContact CG-CG2 4.41Å; P454-T522 HydrophobicContact CB-CG2 4.04Å; P454-T522 WeakPolarHBondContact CB-OG1 3.24Å
455	F	93.8	Very high	90.6	Very high	33 Å²	33	34.7 Å²	34.7	15%	0.145	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-46.9	173.8	172.3	-110.2	0	0	0	112	G451 I452 L453 S457 I458 F459 T522 Y525 V526 Y529	G451-F455 VanDerWaalsContact O-CB 3.25Å; G451-F455 WeakPolarHBondContact O-CB 3.2Å; G451-F455 PolarHBondContact O-N 3.13Å; G451-F455 VanDerWaalsContact O-N 3.11Å; I452-F455 PolarHBondContact O-N 3.43Å; L453-F455 VanDerWaalsContact C-N 3.29Å; L453-F455 PolarHBondContact O-N 3.36Å; F455-S457 PolarHBondContact O-N 2.99Å; F455-I458 WeakPolarHBondContact O-CG1 3.32Å; F455-I458 PolarHBondContact O-N 2.93Å; F455-I458 VanDerWaalsContact O-N 3.07Å; F455-F459 AromaticContact CE1-CD2 3.83Å; F455-F459 HydrophobicContact CE1-CD2 3.83Å; F455-F459 HydrophobicContact CE1-CE2 4.37Å; F455-F459 HydrophobicContact CE2-CD2 4.02Å; F455-F459 AromaticContact CZ-CD2 3.4Å; F455-F459 HydrophobicContact CZ-CD2 3.4Å; F455-F459 AromaticContact CZ-CE2 3.89Å; F455-F459 HydrophobicContact CZ-CE2 3.89Å; F455-F459 HydrophobicContact CZ-CG 4.48Å; F455-F459 PolarHBondContact O-N 3.39Å; F455-T522 HydrophobicContact CB-CG2 4.22Å; F455-Y525 HydrophobicContact CB-CG 4.3Å; F455-Y525 HydrophobicContact CD1-CG 4.35Å; F455-Y525 VanDerWaalsContact CG-CB 3.46Å; F455-Y525 HydrophobicContact CG-CG 4.27Å; F455-V526 HydrophobicContact CD2-CG2 3.8Å; F455-V526 HydrophobicContact CE2-CG2 4.12Å; F455-Y529 HydrophobicContact CZ-CG 4.36Å
456	G	90.8	Very high	90.4	Very high	41 Å²	41	33.1 Å²	33.1	42%	0.423	18%	0.18	S	C	.	.	H	α-helix	trans	-57.3	-34.6	176.5	0	0	0	0	0	113.3	I452 L453 I458	I452-G456 PolarHBondContact O-N 2.76Å; L453-G456 PolarHBondContact O-N 2.97Å; G456-I458 VanDerWaalsContact C-N 3.3Å; G456-I458 PolarHBondContact O-N 2.8Å
457	S	89.5	Confident	90.1	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.028	18%	0.179	C	C	.	.	H	α-helix	trans	-73.1	-15.4	178.2	73.4	0	0	0	0	115.1	S226 L453 P454 F455	S226-S457 WeakPolarHBondContact CB-O 3.3Å; S226-S457 PolarHBondContact OG-O 3.4Å; L453-S457 PolarHBondContact O-N 3.49Å; L453-S457 VanDerWaalsContact O-N 3.08Å; P454-S457 PolarHBondContact O-N 3.39Å; P454-S457 PolarHBondContact O-OG 2.91Å; F455-S457 PolarHBondContact O-N 2.99Å
458	I	91.3	Very high	89.6	Confident	6 Å²	6	32.3 Å²	32.3	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-118.9	-2.5	179.7	67.1	174.3	0	0	0	112.9	P454 F455 G456 I460 E461 M462 V484 L488 T522 V526 L560	P454-I458 PolarHBondContact O-N 3.36Å; F455-I458 WeakPolarHBondContact O-CG1 3.32Å; F455-I458 PolarHBondContact O-N 2.93Å; F455-I458 VanDerWaalsContact O-N 3.07Å; G456-I458 VanDerWaalsContact C-N 3.3Å; G456-I458 PolarHBondContact O-N 2.8Å; I458-I460 PolarHBondContact O-N 3.42Å; I458-E461 PolarHBondContact O-N 3.47Å; I458-E461 VanDerWaalsContact O-N 3.16Å; I458-M462 HydrophobicContact CD1-CE 3.93Å; I458-M462 WeakPolarHBondContact O-CB 2.99Å; I458-M462 PolarHBondContact O-N 2.85Å; I458-V484 HydrophobicContact CB-CG1 4.36Å; I458-V484 HydrophobicContact CG2-CG1 3.87Å; I458-L488 HydrophobicContact CD1-CD1 4.25Å; I458-L488 HydrophobicContact CD1-CD2 4.47Å; I458-L488 HydrophobicContact CG2-CB 4.02Å; I458-L488 HydrophobicContact CG2-CD1 3.87Å; I458-L488 HydrophobicContact CG2-CD2 4.42Å; I458-L488 HydrophobicContact CG2-CG 4.32Å; I458-T522 HydrophobicContact CD1-CG2 4.31Å; I458-V526 HydrophobicContact CD1-CG2 4.33Å; I458-L560 HydrophobicContact CD1-CD2 4.48Å
459	F	88.8	Confident	89.1	Confident	74 Å²	74	34.9 Å²	34.9	33%	0.325	18%	0.18	S	C	.	.	H	α-helix	trans	-55.9	-46.4	-169.4	176.3	-105.9	0	0	0	113.7	F455 M462 Y463 Y529	F455-F459 AromaticContact CE1-CD2 3.83Å; F455-F459 HydrophobicContact CE1-CD2 3.83Å; F455-F459 HydrophobicContact CE1-CE2 4.37Å; F455-F459 HydrophobicContact CE2-CD2 4.02Å; F455-F459 AromaticContact CZ-CD2 3.4Å; F455-F459 HydrophobicContact CZ-CD2 3.4Å; F455-F459 AromaticContact CZ-CE2 3.89Å; F455-F459 HydrophobicContact CZ-CE2 3.89Å; F455-F459 HydrophobicContact CZ-CG 4.48Å; F455-F459 PolarHBondContact O-N 3.39Å; F459-M462 PolarHBondContact O-N 3.33Å; F459-Y463 PolarHBondContact O-N 3.2Å; F459-Y529 HydrophobicContact CD2-CD2 4.35Å; F459-Y529 HydrophobicContact CD2-CE2 4.31Å; F459-Y529 AromaticContact CE2-CD2 3.48Å; F459-Y529 HydrophobicContact CE2-CD2 3.48Å; F459-Y529 VanDerWaalsContact CE2-CD2 3.48Å; F459-Y529 AromaticContact CE2-CE2 3.31Å; F459-Y529 HydrophobicContact CE2-CE2 3.31Å; F459-Y529 HydrophobicContact CE2-CG 4.19Å; F459-Y529 AromaticContact CE2-CZ 3.93Å; F459-Y529 HydrophobicContact CZ-CD2 4.25Å; F459-Y529 AromaticContact CZ-CE2 3.69Å; F459-Y529 HydrophobicContact CZ-CE2 3.69Å
460	I	86.8	Confident	88.9	Confident	60 Å²	60	30.8 Å²	30.8	31%	0.308	16%	0.157	S	C	.	.	H	α-helix	trans	-66.8	-40.4	-179.3	-61.5	-63.5	0	0	0	111.1	I218 S222 I458 M462 Y463 F464	I218-I460 HydrophobicContact CG2-CG2 4.42Å; S222-I460 WeakPolarHBondContact OG-CB 3.25Å; I458-I460 PolarHBondContact O-N 3.42Å; I460-M462 VanDerWaalsContact C-N 3.35Å; I460-Y463 WeakPolarHBondContact O-CB 3.35Å; I460-Y463 PolarHBondContact O-N 2.98Å; I460-F464 HydrophobicContact CG2-CD2 4.31Å; I460-F464 HydrophobicContact CG2-CE2 3.83Å; I460-F464 VanDerWaalsContact O-CD2 3.24Å; I460-F464 WeakPolarHBondContact O-CD2 3.44Å; I460-F464 PolarHBondContact O-N 2.91Å
461	E	86.8	Confident	88	Confident	3 Å²	3	32.4 Å²	32.4	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-71.6	-34.2	179.4	-64.5	-66.4	151.1	0	0	111.5	H219 S222 I458 Y463 F464 I465 V484	H219-E461 IonicContact CE1-OE1 3.49Å; H219-E461 IonicContact CE1-OE2 2.94Å; H219-E461 IonicContact CG-OE1 3.54Å; H219-E461 IonicContact ND1-OE1 2.8Å; H219-E461 PolarHBondContact ND1-OE1 3.31Å; H219-E461 IonicContact ND1-OE2 3.61Å; H219-E461 PolarHBondContact ND1-OE2 3.21Å; H219-E461 VanDerWaalsContact ND1-OE2 3.13Å; S222-E461 PolarHBondContact OG-OE1 3.31Å; I458-E461 PolarHBondContact O-N 3.47Å; I458-E461 VanDerWaalsContact O-N 3.16Å; E461-Y463 PolarHBondContact O-N 3.27Å; E461-F464 PolarHBondContact O-N 2.83Å; E461-F464 VanDerWaalsContact O-N 3.09Å; E461-I465 WeakPolarHBondContact O-CG1 3.47Å; E461-I465 PolarHBondContact O-N 3.4Å; E461-V484 HydrophobicContact CB-CG1 4.22Å; E461-V484 HydrophobicContact CB-CG2 4.23Å; E461-V484 HydrophobicContact CG-CG1 4.35Å; E461-V484 HydrophobicContact CG-CG2 3.57Å
462	M	88.4	Confident	86.7	Confident	8 Å²	8	37 Å²	37	4%	0.039	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-35.8	173.2	-165.8	61.8	77.5	0	0	111.9	I458 F459 I460 I465 F466 V526 Y529 F556 L560	I458-M462 HydrophobicContact CD1-CE 3.93Å; I458-M462 WeakPolarHBondContact O-CB 2.99Å; I458-M462 PolarHBondContact O-N 2.85Å; F459-M462 PolarHBondContact O-N 3.33Å; I460-M462 VanDerWaalsContact C-N 3.35Å; M462-I465 PolarHBondContact O-N 3.12Å; M462-F466 HydrophobicContact CG-CD1 3.97Å; M462-F466 HydrophobicContact CG-CE1 3.54Å; M462-F466 HydrophobicContact CG-CE2 4.43Å; M462-F466 HydrophobicContact CG-CZ 3.79Å; M462-F466 WeakPolarHBondContact O-CB 3.28Å; M462-F466 VanDerWaalsContact O-CD1 3.3Å; M462-F466 WeakPolarHBondContact O-CD1 3.35Å; M462-F466 WeakPolarHBondContact O-CG 3.2Å; M462-F466 PolarHBondContact O-N 3.29Å; M462-F466 HydrophobicContact SD-CD1 3.81Å; M462-F466 HydrophobicContact SD-CE1 3.24Å; M462-F466 WeakPolarHBondContact SD-CE1 3.21Å; M462-F466 HydrophobicContact SD-CZ 3.96Å; M462-V526 HydrophobicContact CE-CB 4.32Å; M462-V526 HydrophobicContact CE-CG1 3.59Å; M462-V526 HydrophobicContact CE-CG2 3.69Å; M462-V526 HydrophobicContact CG-CG1 4.32Å; M462-V526 HydrophobicContact SD-CG1 4.02Å; M462-Y529 HydrophobicContact CG-CD1 4.18Å; M462-Y529 HydrophobicContact CG-CE1 4.34Å; M462-F556 HydrophobicContact CE-CE1 3.8Å; M462-F556 HydrophobicContact CE-CZ 4.03Å; M462-F556 HydrophobicContact SD-CE1 3.69Å; M462-F556 HydrophobicContact SD-CZ 3.92Å; M462-L560 HydrophobicContact CE-CD2 3.97Å
463	Y	88.1	Confident	85.7	Confident	73 Å²	73	36.1 Å²	36.1	29%	0.286	18%	0.181	S	C	.	.	H	α-helix	trans	-61.7	-42.7	173.4	173.4	-103.3	0	0	0	112.6	F213 F459 I460 E461 F466 T467 Y529 Y533 K537	F213-Y463 HydrophobicContact CZ-CE1 4.36Å; F459-Y463 PolarHBondContact O-N 3.2Å; I460-Y463 WeakPolarHBondContact O-CB 3.35Å; I460-Y463 PolarHBondContact O-N 2.98Å; E461-Y463 PolarHBondContact O-N 3.27Å; Y463-F466 PolarHBondContact O-N 3.29Å; Y463-T467 WeakPolarHBondContact O-CB 3.19Å; Y463-T467 PolarHBondContact O-N 3.42Å; Y463-T467 PolarHBondContact O-OG1 3.19Å; Y463-Y529 WeakPolarHBondContact CB-OH 3.22Å; Y463-Y529 WeakPolarHBondContact CD2-OH 3.42Å; Y463-Y533 HydrophobicContact CD2-CD2 4.22Å; Y463-Y533 AromaticContact CD2-CE2 3.82Å; Y463-Y533 HydrophobicContact CD2-CE2 3.82Å; Y463-Y533 HydrophobicContact CE2-CD2 4.46Å; Y463-Y533 AromaticContact CE2-CE2 3.83Å; Y463-Y533 HydrophobicContact CE2-CE2 3.83Å; Y463-K537 HydrophobicContact CE2-CD 4.49Å
464	F	85.4	Confident	85	Confident	7 Å²	7	35.1 Å²	35.1	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-42.3	177.1	-70.6	-67.5	0	0	0	111.8	F213 F214 I218 H219 I460 E461 T467 S468 Y475	F213-F464 HydrophobicContact CD1-CD1 4.46Å; F213-F464 AromaticContact CE1-CD1 3.73Å; F213-F464 HydrophobicContact CE1-CD1 3.73Å; F213-F464 HydrophobicContact CE1-CE1 4.16Å; F213-F464 AromaticContact CZ-CD1 3.98Å; F213-F464 HydrophobicContact CZ-CD1 3.98Å; F213-F464 HydrophobicContact CZ-CE1 4.23Å; F214-F464 HydrophobicContact CD1-CD1 4.19Å; F214-F464 HydrophobicContact CE1-CB 4.43Å; F214-F464 HydrophobicContact CE1-CD1 4.28Å; I218-F464 HydrophobicContact CB-CZ 4.15Å; I218-F464 HydrophobicContact CG2-CE2 3.88Å; I218-F464 HydrophobicContact CG2-CZ 3.67Å; H219-F464 AromaticContact CE1-CD2 3.41Å; H219-F464 VanDerWaalsContact CE1-CD2 3.41Å; H219-F464 WeakPolarHBondContact CE1-CD2 3.4Å; H219-F464 AromaticContact CE1-CE2 3.67Å; H219-F464 AromaticContact CE1-CG 3.64Å; H219-F464 AromaticContact ND1-CD2 3.85Å; H219-F464 AromaticContact ND1-CE2 3.93Å; I460-F464 HydrophobicContact CG2-CD2 4.31Å; I460-F464 HydrophobicContact CG2-CE2 3.83Å; I460-F464 VanDerWaalsContact O-CD2 3.24Å; I460-F464 WeakPolarHBondContact O-CD2 3.44Å; I460-F464 PolarHBondContact O-N 2.91Å; E461-F464 PolarHBondContact O-N 2.83Å; E461-F464 VanDerWaalsContact O-N 3.09Å; F464-T467 PolarHBondContact O-N 3.15Å; F464-S468 WeakPolarHBondContact O-CB 3.43Å; F464-S468 PolarHBondContact O-N 3.41Å; F464-S468 PolarHBondContact O-OG 2.94Å; F464-Y475 HydrophobicContact CB-CE2 4.48Å
465	I	87.9	Confident	84.4	Confident	31 Å²	31	36 Å²	36	16%	0.159	18%	0.179	C	C	.	.	H	α-helix	trans	-59.7	-47.6	174.8	-67.8	170.2	0	0	0	110.4	E461 M462 T467 S468 F469	E461-I465 WeakPolarHBondContact O-CG1 3.47Å; E461-I465 PolarHBondContact O-N 3.4Å; M462-I465 PolarHBondContact O-N 3.12Å; I465-T467 VanDerWaalsContact C-N 3.33Å; I465-T467 PolarHBondContact O-N 3.04Å; I465-S468 PolarHBondContact O-N 3.08Å; I465-S468 VanDerWaalsContact O-N 3.17Å; I465-F469 HydrophobicContact CG2-CD2 3.63Å; I465-F469 HydrophobicContact CG2-CE2 3.42Å; I465-F469 VanDerWaalsContact CG2-CE2 3.42Å; I465-F469 HydrophobicContact CG2-CZ 4.47Å; I465-F469 WeakPolarHBondContact O-CD2 3.29Å; I465-F469 PolarHBondContact O-N 3.29Å
466	F	89.2	Confident	83.7	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-41.4	179.3	-79.1	19.7	0	0	0	111.7	M462 Y463 S468 F469 W470 V526 Y529 Y533 M553 F556	M462-F466 HydrophobicContact CG-CD1 3.97Å; M462-F466 HydrophobicContact CG-CE1 3.54Å; M462-F466 HydrophobicContact CG-CE2 4.43Å; M462-F466 HydrophobicContact CG-CZ 3.79Å; M462-F466 WeakPolarHBondContact O-CB 3.28Å; M462-F466 VanDerWaalsContact O-CD1 3.3Å; M462-F466 WeakPolarHBondContact O-CD1 3.35Å; M462-F466 WeakPolarHBondContact O-CG 3.2Å; M462-F466 PolarHBondContact O-N 3.29Å; M462-F466 HydrophobicContact SD-CD1 3.81Å; M462-F466 HydrophobicContact SD-CE1 3.24Å; M462-F466 WeakPolarHBondContact SD-CE1 3.21Å; M462-F466 HydrophobicContact SD-CZ 3.96Å; Y463-F466 PolarHBondContact O-N 3.29Å; F466-S468 VanDerWaalsContact C-N 3.28Å; F466-S468 PolarHBondContact O-N 2.99Å; F466-F469 PolarHBondContact O-N 3.47Å; F466-W470 VanDerWaalsContact O-CB 3.29Å; F466-W470 WeakPolarHBondContact O-CB 3.43Å; F466-W470 PolarHBondContact O-N 3.38Å; F466-V526 HydrophobicContact CE1-CG1 4.47Å; F466-V526 HydrophobicContact CZ-CG1 4.05Å; F466-Y529 AromaticContact CD2-CD1 3.91Å; F466-Y529 HydrophobicContact CD2-CD1 3.91Å; F466-Y529 AromaticContact CD2-CE1 3.76Å; F466-Y529 HydrophobicContact CD2-CE1 3.76Å; F466-Y529 AromaticContact CE2-CD1 3.42Å; F466-Y529 HydrophobicContact CE2-CD1 3.42Å; F466-Y529 VanDerWaalsContact CE2-CD1 3.42Å; F466-Y529 AromaticContact CE2-CE1 3.78Å; F466-Y529 HydrophobicContact CE2-CE1 3.78Å; F466-Y529 HydrophobicContact CE2-CG 4.46Å; F466-Y529 HydrophobicContact CZ-CD1 4.04Å; F466-Y533 HydrophobicContact CB-CD1 4.34Å; F466-Y533 HydrophobicContact CB-CD2 4.07Å; F466-Y533 HydrophobicContact CB-CE1 4.14Å; F466-Y533 HydrophobicContact CB-CE2 3.85Å; F466-Y533 HydrophobicContact CB-CG 4.32Å; F466-Y533 HydrophobicContact CD2-CD1 4.17Å; F466-Y533 AromaticContact CD2-CD2 3.99Å; F466-Y533 HydrophobicContact CD2-CD2 3.99Å; F466-Y533 AromaticContact CD2-CG 3.76Å; F466-Y533 HydrophobicContact CD2-CG 3.76Å; F466-M553 HydrophobicContact CD1-CE 4.25Å; F466-M553 HydrophobicContact CE1-CE 3.33Å; F466-M553 HydrophobicContact CE1-SD 4.26Å; F466-M553 HydrophobicContact CE2-CE 3.99Å; F466-M553 HydrophobicContact CZ-CE 3.19Å; F466-M553 HydrophobicContact CZ-SD 4.36Å; F466-F556 HydrophobicContact CE1-CE1 4.19Å
467	T	86	Confident	83.4	Confident	7 Å²	7	35.4 Å²	35.4	4%	0.043	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-33.3	177.2	-52.3	0	0	0	0	112	F213 Y463 F464 I465 A471 K473 Y533	F213-T467 HydrophobicContact CE1-CG2 3.95Å; F213-T467 HydrophobicContact CE2-CG2 4.12Å; F213-T467 HydrophobicContact CZ-CG2 3.4Å; F213-T467 VanDerWaalsContact CZ-CG2 3.4Å; Y463-T467 WeakPolarHBondContact O-CB 3.19Å; Y463-T467 PolarHBondContact O-N 3.42Å; Y463-T467 PolarHBondContact O-OG1 3.19Å; F464-T467 PolarHBondContact O-N 3.15Å; I465-T467 VanDerWaalsContact C-N 3.33Å; I465-T467 PolarHBondContact O-N 3.04Å; T467-A471 HydrophobicContact CG2-CB 3.87Å; T467-A471 VanDerWaalsContact O-CA 3.3Å; T467-A471 WeakPolarHBondContact O-CA 3.3Å; T467-A471 WeakPolarHBondContact O-CB 3.48Å; T467-A471 PolarHBondContact O-N 2.92Å; T467-K473 HydrophobicContact CG2-CD 4.33Å; T467-Y533 WeakPolarHBondContact CA-OH 3.26Å; T467-Y533 WeakPolarHBondContact CB-OH 3.37Å; T467-Y533 PolarHBondContact N-OH 3.35Å; T467-Y533 PolarHBondContact OG1-OH 2.84Å
468	S	84.9	Confident	83.3	Confident	14 Å²	14	36.1 Å²	36.1	10%	0.098	17%	0.167	C	C	.	.	H	α-helix	trans	-67.9	-49.1	176.7	-53.3	0	0	0	0	111.5	F214 F464 I465 F466 Y472 K473	F214-S468 WeakPolarHBondContact CZ-OG 3.43Å; F464-S468 WeakPolarHBondContact O-CB 3.43Å; F464-S468 PolarHBondContact O-N 3.41Å; F464-S468 PolarHBondContact O-OG 2.94Å; I465-S468 PolarHBondContact O-N 3.08Å; I465-S468 VanDerWaalsContact O-N 3.17Å; F466-S468 VanDerWaalsContact C-N 3.28Å; F466-S468 PolarHBondContact O-N 2.99Å; S468-Y472 PolarHBondContact O-N 3.48Å; S468-K473 WeakPolarHBondContact CA-O 3.46Å; S468-K473 WeakPolarHBondContact CB-O 3.34Å
469	F	83.6	Confident	83	Confident	126 Å²	126	37.3 Å²	37.3	55%	0.553	18%	0.18	S	C	*	.	H	α-helix	trans	-67.1	-40.3	178.8	-73.9	-45.8	0	0	0	113.7	I465 F466	I465-F469 HydrophobicContact CG2-CD2 3.63Å; I465-F469 HydrophobicContact CG2-CE2 3.42Å; I465-F469 VanDerWaalsContact CG2-CE2 3.42Å; I465-F469 HydrophobicContact CG2-CZ 4.47Å; I465-F469 WeakPolarHBondContact O-CD2 3.29Å; I465-F469 PolarHBondContact O-N 3.29Å; F466-F469 PolarHBondContact O-N 3.47Å
470	W	85.9	Confident	82.9	Confident	17 Å²	17	35.2 Å²	35.2	6%	0.064	17%	0.171	C	C	.	.	H	α-helix	trans	-102.9	-16.9	-168.6	-59.5	118.1	0	0	0	114.2	Q52 F466 Y533 M540 F548 Y549 M553	Q52-W470 HydrophobicContact CG-CE3 4.16Å; Q52-W470 HydrophobicContact CG-CZ3 3.97Å; F466-W470 VanDerWaalsContact O-CB 3.29Å; F466-W470 WeakPolarHBondContact O-CB 3.43Å; F466-W470 PolarHBondContact O-N 3.38Å; W470-Y533 HydrophobicContact CB-CE1 4.34Å; W470-M540 HydrophobicContact CB-CE 3.82Å; W470-M540 HydrophobicContact CE3-CE 4.48Å; W470-M540 VanDerWaalsContact O-CE 3.27Å; W470-M540 WeakPolarHBondContact O-CE 3.43Å; W470-F548 AromaticContact CH2-CD1 3.92Å; W470-F548 HydrophobicContact CH2-CD1 3.92Å; W470-F548 HydrophobicContact CH2-CE1 4.01Å; W470-F548 AromaticContact CZ3-CD1 3.72Å; W470-F548 HydrophobicContact CZ3-CD1 3.72Å; W470-F548 AromaticContact CZ3-CE1 3.85Å; W470-F548 HydrophobicContact CZ3-CE1 3.85Å; W470-Y549 AromaticContact CD1-CE2 3.52Å; W470-Y549 AromaticContact CD2-CD2 3.46Å; W470-Y549 HydrophobicContact CD2-CD2 3.46Å; W470-Y549 VanDerWaalsContact CD2-CD2 3.46Å; W470-Y549 AromaticContact CD2-CE2 3.71Å; W470-Y549 HydrophobicContact CD2-CE2 3.71Å; W470-Y549 AromaticContact CE2-CD2 3.39Å; W470-Y549 AromaticContact CE2-CE2 3.53Å; W470-Y549 AromaticContact CE3-CD2 3.81Å; W470-Y549 HydrophobicContact CE3-CD2 3.81Å; W470-Y549 HydrophobicContact CE3-CE2 4.49Å; W470-Y549 AromaticContact CG-CD2 3.93Å; W470-Y549 HydrophobicContact CG-CD2 3.93Å; W470-Y549 AromaticContact CG-CE2 3.71Å; W470-Y549 HydrophobicContact CG-CE2 3.71Å; W470-Y549 HydrophobicContact CH2-CD2 4.08Å; W470-Y549 AromaticContact CZ2-CD2 3.72Å; W470-Y549 HydrophobicContact CZ2-CD2 3.72Å; W470-Y549 HydrophobicContact CZ2-CE2 4.19Å; W470-Y549 HydrophobicContact CZ2-CG 4.35Å; W470-Y549 HydrophobicContact CZ3-CD2 4.11Å; W470-Y549 AromaticContact NE1-CD2 3.79Å; W470-Y549 AromaticContact NE1-CE2 3.39Å; W470-M553 HydrophobicContact CZ2-CG 3.89Å; W470-M553 HydrophobicContact CZ2-SD 3.76Å; W470-M553 PolarHBondContact NE1-SD 3.13Å
471	A	73.4	Confident	82.9	Confident	35 Å²	35	34.7 Å²	34.7	29%	0.289	17%	0.168	S	C	.	.	H	α-helix	trans	-116	14.9	177	0	0	0	0	0	114.2	R51 T467 K473	R51-A471 PolarHBondContact NH1-O 2.88Å; T467-A471 HydrophobicContact CG2-CB 3.87Å; T467-A471 VanDerWaalsContact O-CA 3.3Å; T467-A471 WeakPolarHBondContact O-CA 3.3Å; T467-A471 WeakPolarHBondContact O-CB 3.48Å; T467-A471 PolarHBondContact O-N 2.92Å; A471-K473 PolarHBondContact O-N 2.96Å
472	Y	64.4	Low	83.1	Confident	98 Å²	98	36.3 Å²	36.3	38%	0.384	18%	0.176	S	C	.	.			trans	54.1	30.6	177.6	-79.8	-95	0	0	0	114.5	R51 S468	R51-Y472 HydrophobicContact CB-CD2 4Å; R51-Y472 HydrophobicContact CB-CE2 3.58Å; R51-Y472 PolarHBondContact O-OH 3.42Å; S468-Y472 PolarHBondContact O-N 3.48Å
473	K	71.1	Confident	83.2	Confident	55 Å²	55	39.9 Å²	39.9	24%	0.239	20%	0.195	C	C	.	.			trans	-82.6	120.5	166.9	-63.5	-161.1	177.3	-156.3	0	107.8	D210 F213 F214 T467 S468 A471 Y475	D210-K473 IonicContact OD2-NZ 3.16Å; D210-K473 PolarHBondContact OD2-NZ 2.99Å; F213-K473 HydrophobicContact CB-CD 4.15Å; F213-K473 HydrophobicContact CD1-CD 3.34Å; F213-K473 HydrophobicContact CD2-CD 4.09Å; F213-K473 HydrophobicContact CE1-CD 3.65Å; F213-K473 HydrophobicContact CE2-CD 4.35Å; F213-K473 HydrophobicContact CG-CD 3.58Å; F213-K473 HydrophobicContact CZ-CD 4.16Å; F214-K473 HydrophobicContact CE2-CB 3.97Å; F214-K473 HydrophobicContact CZ-CB 3.98Å; T467-K473 HydrophobicContact CG2-CD 4.33Å; S468-K473 WeakPolarHBondContact CA-O 3.46Å; S468-K473 WeakPolarHBondContact CB-O 3.34Å; A471-K473 PolarHBondContact O-N 2.96Å; K473-Y475 PolarHBondContact O-N 3.18Å; K473-Y475 VanDerWaalsContact O-N 3.12Å
474	I	76.6	Confident	83.3	Confident	43 Å²	43	37.2 Å²	37.2	22%	0.221	19%	0.186	C	C	.	.			trans	-64	116.4	176.6	-61	173.7	0	0	0	107.4	L209 F214 Y315 Y476	L209-I474 HydrophobicContact CD2-CB 3.91Å; L209-I474 HydrophobicContact CD2-CD1 4.44Å; L209-I474 HydrophobicContact CD2-CG2 3.7Å; F214-I474 VanDerWaalsContact CE2-O 3.24Å; F214-I474 WeakPolarHBondContact CE2-O 3.3Å; Y315-I474 HydrophobicContact CD2-CG2 4.26Å; Y315-I474 HydrophobicContact CG-CG2 4.03Å; I474-Y476 PolarHBondContact O-N 3.1Å
475	Y	79.7	Confident	83.7	Confident	20 Å²	20	37.7 Å²	37.7	8%	0.078	19%	0.189	C	C	.	.			trans	-80.5	110.6	172.8	-171.3	-86.3	0	0	0	108.5	F214 F464 K473 V477 Y478 M481	F214-Y475 HydrophobicContact CD1-CD2 4.42Å; F214-Y475 AromaticContact CE1-CD2 3.67Å; F214-Y475 HydrophobicContact CE1-CD2 3.67Å; F214-Y475 HydrophobicContact CE1-CE2 4.19Å; F214-Y475 HydrophobicContact CZ-CD2 4.19Å; F464-Y475 HydrophobicContact CB-CE2 4.48Å; K473-Y475 PolarHBondContact O-N 3.18Å; K473-Y475 VanDerWaalsContact O-N 3.12Å; Y475-V477 VanDerWaalsContact CE1-C 3.44Å; Y475-V477 HydrophobicContact CE1-CB 4.22Å; Y475-V477 WeakPolarHBondContact CE1-O 3.37Å; Y475-V477 PolarHBondContact OH-O 3.46Å; Y475-Y478 HydrophobicContact CD1-CD1 4.18Å; Y475-Y478 HydrophobicContact CD1-CE1 4.11Å; Y475-Y478 HydrophobicContact CE1-CD1 4.35Å; Y475-Y478 PolarHBondContact O-OH 2.72Å; Y475-M481 HydrophobicContact CD1-CE 3.63Å; Y475-M481 HydrophobicContact CE1-CB 4.17Å; Y475-M481 HydrophobicContact CE1-CE 3.39Å; Y475-M481 HydrophobicContact CG-CE 4.5Å
476	Y	80.3	Confident	84	Confident	52 Å²	52	39.4 Å²	39.4	20%	0.204	20%	0.201	C	C	.	.			trans	-111.3	-0.1	-179.4	65.7	-85.9	0	0	0	112.8	L209 F214 I474 Y478	L209-Y476 HydrophobicContact CB-CD1 4.01Å; L209-Y476 HydrophobicContact CB-CE1 3.96Å; L209-Y476 HydrophobicContact CD1-CD1 4.19Å; L209-Y476 HydrophobicContact CD1-CD2 4.21Å; L209-Y476 HydrophobicContact CD1-CG 3.96Å; L209-Y476 HydrophobicContact CD2-CD1 3.84Å; L209-Y476 HydrophobicContact CD2-CG 4.1Å; L209-Y476 HydrophobicContact CG-CD1 4.22Å; L209-Y476 HydrophobicContact CG-CG 4.45Å; F214-Y476 HydrophobicContact CB-CE1 4.14Å; F214-Y476 HydrophobicContact CD2-CD1 4.18Å; F214-Y476 AromaticContact CD2-CE1 3.63Å; F214-Y476 HydrophobicContact CD2-CE1 3.63Å; F214-Y476 HydrophobicContact CE2-CE1 4.35Å; F214-Y476 HydrophobicContact CG-CE1 4.15Å; I474-Y476 PolarHBondContact O-N 3.1Å; Y476-Y478 VanDerWaalsContact C-N 3.3Å; Y476-Y478 PolarHBondContact O-N 3.36Å; Y476-Y478 VanDerWaalsContact O-N 3.12Å
477	V	83.9	Confident	84.1	Confident	9 Å²	9	40.2 Å²	40.2	6%	0.055	21%	0.205	C	C	.	.			trans	-93.6	50.6	-168.8	-167.8	0	0	0	0	111.1	F214 Y475 G479 F480 M481	F214-V477 HydrophobicContact CB-CG2 4.06Å; F214-V477 HydrophobicContact CD1-CG2 4.48Å; F214-V477 HydrophobicContact CG-CG2 4.32Å; Y475-V477 VanDerWaalsContact CE1-C 3.44Å; Y475-V477 HydrophobicContact CE1-CB 4.22Å; Y475-V477 WeakPolarHBondContact CE1-O 3.37Å; Y475-V477 PolarHBondContact OH-O 3.46Å; V477-G479 VanDerWaalsContact C-N 3.31Å; V477-G479 PolarHBondContact O-N 2.99Å; V477-F480 HydrophobicContact CB-CD2 4.48Å; V477-F480 HydrophobicContact CG1-CB 3.94Å; V477-F480 HydrophobicContact CG1-CD2 3.04Å; V477-F480 HydrophobicContact CG1-CE2 3.63Å; V477-F480 HydrophobicContact CG1-CG 3.71Å; V477-F480 PolarHBondContact O-N 2.89Å; V477-F480 VanDerWaalsContact O-N 3.16Å; V477-M481 PolarHBondContact O-N 3.46Å
478	Y	86.3	Confident	84.5	Confident	19 Å²	19	40.3 Å²	40.3	8%	0.075	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-30.5	-171	-60.2	-70.2	0	0	0	114.7	A309 Y315 M321 Y475 Y476 F480 M481 M482	A309-Y478 HydrophobicContact CB-CD1 3.71Å; A309-Y478 HydrophobicContact CB-CD2 4.02Å; A309-Y478 HydrophobicContact CB-CE1 3.82Å; A309-Y478 HydrophobicContact CB-CE2 4.11Å; A309-Y478 HydrophobicContact CB-CG 3.81Å; A309-Y478 WeakPolarHBondContact O-CD2 3.06Å; Y315-Y478 HydrophobicContact CD1-CE2 4.32Å; M321-Y478 WeakPolarHBondContact CE-OH 3.19Å; M321-Y478 PolarHBondContact SD-OH 3.39Å; Y475-Y478 HydrophobicContact CD1-CD1 4.18Å; Y475-Y478 HydrophobicContact CD1-CE1 4.11Å; Y475-Y478 HydrophobicContact CE1-CD1 4.35Å; Y475-Y478 PolarHBondContact O-OH 2.72Å; Y476-Y478 VanDerWaalsContact C-N 3.3Å; Y476-Y478 PolarHBondContact O-N 3.36Å; Y476-Y478 VanDerWaalsContact O-N 3.12Å; Y478-F480 VanDerWaalsContact C-N 3.27Å; Y478-F480 PolarHBondContact O-N 3.49Å; Y478-M481 HydrophobicContact CD1-CE 4.14Å; Y478-M481 HydrophobicContact CE1-CE 4.43Å; Y478-M481 WeakPolarHBondContact O-CB 3.36Å; Y478-M481 PolarHBondContact O-N 3.11Å; Y478-M481 VanDerWaalsContact O-N 3.12Å; Y478-M482 PolarHBondContact O-N 3.44Å
479	G	86.3	Confident	85	Confident	31 Å²	31	40.8 Å²	40.8	32%	0.32	21%	0.208	S	C	.	.	H	α-helix	trans	-60.3	-35	175.9	0	0	0	0	0	113.4	V477 L483	V477-G479 VanDerWaalsContact C-N 3.31Å; V477-G479 PolarHBondContact O-N 2.99Å; G479-L483 PolarHBondContact O-N 2.72Å
480	F	85.1	Confident	85.5	Confident	30 Å²	30	38.1 Å²	38.1	13%	0.132	20%	0.199	C	C	.	.	H	α-helix	trans	-73.5	-38.7	175	-70.7	-103.9	0	0	0	111	H216 H219 W220 I223 V477 Y478 M482 L483 V484	H216-F480 AromaticContact ND1-CE2 3.92Å; H219-F480 HydrophobicContact CB-CD1 3.44Å; H219-F480 VanDerWaalsContact CB-CD1 3.44Å; H219-F480 HydrophobicContact CB-CE1 3.49Å; H219-F480 VanDerWaalsContact CB-CE1 3.49Å; H219-F480 HydrophobicContact CB-CG 4.2Å; H219-F480 HydrophobicContact CB-CZ 4.23Å; W220-F480 AromaticContact CD1-CE1 3.89Å; W220-F480 AromaticContact CD1-CZ 3.9Å; W220-F480 HydrophobicContact CG-CE1 4.3Å; W220-F480 AromaticContact NE1-CE1 3.92Å; W220-F480 AromaticContact NE1-CZ 3.71Å; I223-F480 HydrophobicContact CD1-CD1 3.41Å; I223-F480 VanDerWaalsContact CD1-CD1 3.41Å; I223-F480 HydrophobicContact CD1-CE1 3.96Å; I223-F480 HydrophobicContact CD1-CG 4.38Å; V477-F480 HydrophobicContact CB-CD2 4.48Å; V477-F480 HydrophobicContact CG1-CB 3.94Å; V477-F480 HydrophobicContact CG1-CD2 3.04Å; V477-F480 HydrophobicContact CG1-CE2 3.63Å; V477-F480 HydrophobicContact CG1-CG 3.71Å; V477-F480 PolarHBondContact O-N 2.89Å; V477-F480 VanDerWaalsContact O-N 3.16Å; Y478-F480 VanDerWaalsContact C-N 3.27Å; Y478-F480 PolarHBondContact O-N 3.49Å; F480-M482 VanDerWaalsContact C-N 3.26Å; F480-M482 PolarHBondContact O-N 3.41Å; F480-L483 PolarHBondContact O-N 3.33Å; F480-L483 VanDerWaalsContact O-N 3.15Å; F480-V484 WeakPolarHBondContact O-CG2 3.41Å; F480-V484 PolarHBondContact O-N 2.93Å
481	M	87.8	Confident	85.8	Confident	49 Å²	49	37.4 Å²	37.4	24%	0.241	20%	0.196	C	C	.	.	H	α-helix	trans	-57	-40.3	174	-164.1	-169.9	-62.5	0	0	111.9	I306 Y475 V477 Y478 V484 L485	I306-M481 HydrophobicContact CD1-CG 3.93Å; I306-M481 HydrophobicContact CD1-SD 3.76Å; I306-M481 HydrophobicContact CG1-CG 4.36Å; I306-M481 HydrophobicContact CG1-SD 3.7Å; Y475-M481 HydrophobicContact CD1-CE 3.63Å; Y475-M481 HydrophobicContact CE1-CB 4.17Å; Y475-M481 HydrophobicContact CE1-CE 3.39Å; Y475-M481 HydrophobicContact CG-CE 4.5Å; V477-M481 PolarHBondContact O-N 3.46Å; Y478-M481 HydrophobicContact CD1-CE 4.14Å; Y478-M481 HydrophobicContact CE1-CE 4.43Å; Y478-M481 WeakPolarHBondContact O-CB 3.36Å; Y478-M481 PolarHBondContact O-N 3.11Å; Y478-M481 VanDerWaalsContact O-N 3.12Å; M481-V484 PolarHBondContact O-N 2.93Å; M481-L485 PolarHBondContact O-N 3.42Å
482	M	91.4	Very high	86.9	Confident	38 Å²	38	35.8 Å²	35.8	19%	0.187	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-46	175.3	-175.7	53.8	-171.7	0	0	112.5	F303 I306 M310 Y478 F480 V484 L485 V486	F303-M482 HydrophobicContact CD2-CE 3.59Å; F303-M482 HydrophobicContact CD2-SD 4.16Å; F303-M482 HydrophobicContact CE2-CE 3.23Å; F303-M482 HydrophobicContact CE2-SD 4.34Å; F303-M482 HydrophobicContact CZ-CE 4.26Å; I306-M482 HydrophobicContact CG2-CB 3.7Å; I306-M482 HydrophobicContact CG2-CG 4.36Å; I306-M482 HydrophobicContact CG2-SD 4.14Å; M310-M482 HydrophobicContact SD-CB 4.05Å; M310-M482 HydrophobicContact SD-CG 4.42Å; Y478-M482 PolarHBondContact O-N 3.44Å; F480-M482 VanDerWaalsContact C-N 3.26Å; F480-M482 PolarHBondContact O-N 3.41Å; M482-V484 VanDerWaalsContact C-N 3.31Å; M482-V484 PolarHBondContact O-N 2.68Å; M482-L485 PolarHBondContact O-N 3.07Å; M482-V486 HydrophobicContact CE-CG2 4.22Å; M482-V486 WeakPolarHBondContact O-CG2 3.23Å; M482-V486 PolarHBondContact O-N 3.24Å; M482-V486 VanDerWaalsContact O-N 3.15Å
483	L	90.3	Very high	88.3	Confident	82 Å²	82	32.9 Å²	32.9	43%	0.429	18%	0.175	S	C	.	.	H	α-helix	trans	-62.1	-40.4	176.8	-70.7	177.4	0	0	0	112	I223 G479 F480 V486 I487	I223-L483 HydrophobicContact CD1-CB 4.23Å; I223-L483 HydrophobicContact CD1-CD1 3.79Å; G479-L483 PolarHBondContact O-N 2.72Å; F480-L483 PolarHBondContact O-N 3.33Å; F480-L483 VanDerWaalsContact O-N 3.15Å; L483-V486 PolarHBondContact O-N 3.27Å; L483-I487 WeakPolarHBondContact O-CG1 3.47Å; L483-I487 PolarHBondContact O-N 3.32Å
484	V	91.1	Very high	89.3	Confident	18 Å²	18	30.9 Å²	30.9	11%	0.109	17%	0.168	C	C	.	.	H	α-helix	trans	-65.7	-39.9	178.6	175.6	0	0	0	0	111	I458 E461 F480 M481 M482 V486 I487 L488	I458-V484 HydrophobicContact CB-CG1 4.36Å; I458-V484 HydrophobicContact CG2-CG1 3.87Å; E461-V484 HydrophobicContact CB-CG1 4.22Å; E461-V484 HydrophobicContact CB-CG2 4.23Å; E461-V484 HydrophobicContact CG-CG1 4.35Å; E461-V484 HydrophobicContact CG-CG2 3.57Å; F480-V484 WeakPolarHBondContact O-CG2 3.41Å; F480-V484 PolarHBondContact O-N 2.93Å; M481-V484 PolarHBondContact O-N 2.93Å; M482-V484 VanDerWaalsContact C-N 3.31Å; M482-V484 PolarHBondContact O-N 2.68Å; V484-V486 VanDerWaalsContact C-N 3.33Å; V484-V486 PolarHBondContact O-N 3.08Å; V484-I487 PolarHBondContact O-N 2.86Å; V484-L488 VanDerWaalsContact O-CB 3.29Å; V484-L488 WeakPolarHBondContact O-CB 3.31Å; V484-L488 PolarHBondContact O-N 3.35Å
485	L	93.5	Very high	90.1	Very high	17 Å²	17	29.3 Å²	29.3	9%	0.089	16%	0.161	C	C	.	.	H	α-helix	trans	-59.9	-43.3	174.1	-177.9	65.4	0	0	0	111.5	F299 F303 I306 M481 M482 L488 C489 M563	F299-L485 HydrophobicContact CE2-CD1 4.34Å; F299-L485 HydrophobicContact CE2-CD2 4.35Å; F299-L485 HydrophobicContact CE2-CG 4.32Å; F303-L485 HydrophobicContact CB-CD2 4.37Å; I306-L485 HydrophobicContact CD1-CD2 4.01Å; M481-L485 PolarHBondContact O-N 3.42Å; M482-L485 PolarHBondContact O-N 3.07Å; L485-L488 PolarHBondContact O-N 3.43Å; L485-C489 PolarHBondContact O-N 3.1Å; L485-C489 PolarHBondContact O-SG 3.32Å; L485-M563 HydrophobicContact CD1-CE 4.08Å; L485-M563 HydrophobicContact CD1-SD 4.29Å
486	V	93.5	Very high	90.8	Very high	66 Å²	66	28.3 Å²	28.3	40%	0.4	16%	0.157	S	C	.	.	H	α-helix	trans	-64.5	-46.9	177.2	173.6	0	0	0	0	111.2	M482 L483 V484 L488 C489 I490	M482-V486 HydrophobicContact CE-CG2 4.22Å; M482-V486 WeakPolarHBondContact O-CG2 3.23Å; M482-V486 PolarHBondContact O-N 3.24Å; M482-V486 VanDerWaalsContact O-N 3.15Å; L483-V486 PolarHBondContact O-N 3.27Å; V484-V486 VanDerWaalsContact C-N 3.33Å; V484-V486 PolarHBondContact O-N 3.08Å; V486-L488 VanDerWaalsContact C-N 3.34Å; V486-L488 PolarHBondContact O-N 2.97Å; V486-C489 PolarHBondContact O-N 3.46Å; V486-I490 HydrophobicContact CG1-CD1 4.02Å; V486-I490 WeakPolarHBondContact O-CG1 3.39Å; V486-I490 PolarHBondContact O-N 3.03Å; V486-I490 VanDerWaalsContact O-N 3.08Å
487	I	91.9	Very high	91.4	Very high	18 Å²	18	27 Å²	27	9%	0.092	15%	0.153	C	C	.	.	H	α-helix	trans	-59	-47.3	177.1	-70.5	168	0	0	0	110.3	I223 V230 L483 V484 C489 I490 V491	I223-I487 HydrophobicContact CG2-CD1 4.28Å; V230-I487 HydrophobicContact CG2-CG2 3.95Å; L483-I487 WeakPolarHBondContact O-CG1 3.47Å; L483-I487 PolarHBondContact O-N 3.32Å; V484-I487 PolarHBondContact O-N 2.86Å; I487-C489 VanDerWaalsContact C-N 3.29Å; I487-C489 PolarHBondContact O-N 3.16Å; I487-I490 PolarHBondContact O-N 3.41Å; I487-I490 VanDerWaalsContact O-N 3.17Å; I487-V491 HydrophobicContact CG2-CG2 4.17Å; I487-V491 WeakPolarHBondContact O-CG2 3.36Å; I487-V491 PolarHBondContact O-N 3.19Å
488	L	93.6	Very high	91.7	Very high	9 Å²	9	27.5 Å²	27.5	5%	0.047	16%	0.156	C	C	.	.	H	α-helix	trans	-57.3	-43	177.7	178.6	62.7	0	0	0	111.4	P454 I458 V484 L485 V486 T492 L560 M563	P454-L488 HydrophobicContact CB-CD1 4.02Å; I458-L488 HydrophobicContact CD1-CD1 4.25Å; I458-L488 HydrophobicContact CD1-CD2 4.47Å; I458-L488 HydrophobicContact CG2-CB 4.02Å; I458-L488 HydrophobicContact CG2-CD1 3.87Å; I458-L488 HydrophobicContact CG2-CD2 4.42Å; I458-L488 HydrophobicContact CG2-CG 4.32Å; V484-L488 VanDerWaalsContact O-CB 3.29Å; V484-L488 WeakPolarHBondContact O-CB 3.31Å; V484-L488 PolarHBondContact O-N 3.35Å; L485-L488 PolarHBondContact O-N 3.43Å; V486-L488 VanDerWaalsContact C-N 3.34Å; V486-L488 PolarHBondContact O-N 2.97Å; L488-T492 HydrophobicContact CD1-CG2 3.8Å; L488-T492 HydrophobicContact CG-CG2 4.26Å; L488-T492 VanDerWaalsContact O-CB 3.31Å; L488-T492 WeakPolarHBondContact O-CB 3.47Å; L488-T492 WeakPolarHBondContact O-CG2 3.19Å; L488-T492 PolarHBondContact O-N 3.04Å; L488-T492 PolarHBondContact O-OG1 2.74Å; L488-L560 HydrophobicContact CD2-CD1 4.01Å; L488-M563 HydrophobicContact CD2-CE 4.39Å
489	C	95.2	Very high	91.9	Very high	25 Å²	25	27.2 Å²	27.2	17%	0.169	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-44.1	177.1	-68.5	0	0	0	0	112.4	F299 L485 V486 I487 T492 V493 V567	F299-C489 WeakPolarHBondContact CE2-SG 3.35Å; L485-C489 PolarHBondContact O-N 3.1Å; L485-C489 PolarHBondContact O-SG 3.32Å; V486-C489 PolarHBondContact O-N 3.46Å; I487-C489 VanDerWaalsContact C-N 3.29Å; I487-C489 PolarHBondContact O-N 3.16Å; C489-T492 WeakPolarHBondContact CA-OG1 3.37Å; C489-T492 PolarHBondContact O-OG1 3.37Å; C489-V493 WeakPolarHBondContact O-CB 3.45Å; C489-V493 VanDerWaalsContact O-CG2 3.27Å; C489-V493 WeakPolarHBondContact O-CG2 3.34Å; C489-V493 PolarHBondContact O-N 3.45Å; C489-V493 VanDerWaalsContact O-N 3.07Å; C489-V567 HydrophobicContact CB-CG1 4.2Å
490	I	93.6	Very high	92.2	Very high	70 Å²	70	25.8 Å²	25.8	36%	0.359	14%	0.142	S	C	.	.	H	α-helix	trans	-65.7	-48.7	179.6	-63	167.6	0	0	0	110.3	V230 V234 V486 I487 T492 V493 C494	V230-I490 HydrophobicContact CG1-CG2 3.66Å; V234-I490 HydrophobicContact CG2-CG2 4.39Å; V486-I490 HydrophobicContact CG1-CD1 4.02Å; V486-I490 WeakPolarHBondContact O-CG1 3.39Å; V486-I490 PolarHBondContact O-N 3.03Å; V486-I490 VanDerWaalsContact O-N 3.08Å; I487-I490 PolarHBondContact O-N 3.41Å; I487-I490 VanDerWaalsContact O-N 3.17Å; I490-T492 PolarHBondContact O-N 3.39Å; I490-V493 PolarHBondContact O-N 2.96Å; I490-C494 WeakPolarHBondContact O-CB 3.44Å; I490-C494 PolarHBondContact O-N 3.46Å; I490-C494 PolarHBondContact O-SG 2.83Å; I490-C494 VanDerWaalsContact O-SG 3.33Å
491	V	93.6	Very high	92.4	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-45.7	-179.5	177.5	0	0	0	0	111	V230 L233 P454 I487 V493 C494 V495	V230-V491 HydrophobicContact CG2-CG2 3.4Å; L233-V491 HydrophobicContact CD1-CG1 3.77Å; P454-V491 HydrophobicContact CB-CG1 4.05Å; P454-V491 HydrophobicContact CG-CG1 4.01Å; I487-V491 HydrophobicContact CG2-CG2 4.17Å; I487-V491 WeakPolarHBondContact O-CG2 3.36Å; I487-V491 PolarHBondContact O-N 3.19Å; V491-V493 PolarHBondContact O-N 3.45Å; V491-C494 PolarHBondContact O-N 2.83Å; V491-V495 HydrophobicContact CG1-CG2 4.14Å; V491-V495 WeakPolarHBondContact O-CB 3.39Å; V491-V495 VanDerWaalsContact O-CG2 3.26Å; V491-V495 WeakPolarHBondContact O-CG2 3.26Å; V491-V495 PolarHBondContact O-N 3.23Å
492	T	94.9	Very high	92.3	Very high	2 Å²	2	28 Å²	28	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-43.3	178.6	50.1	0	0	0	0	112	P454 L488 C489 I490 T496 C564	P454-T492 HydrophobicContact CB-CG2 3.77Å; P454-T492 HydrophobicContact CG-CG2 4.04Å; L488-T492 HydrophobicContact CD1-CG2 3.8Å; L488-T492 HydrophobicContact CG-CG2 4.26Å; L488-T492 VanDerWaalsContact O-CB 3.31Å; L488-T492 WeakPolarHBondContact O-CB 3.47Å; L488-T492 WeakPolarHBondContact O-CG2 3.19Å; L488-T492 PolarHBondContact O-N 3.04Å; L488-T492 PolarHBondContact O-OG1 2.74Å; C489-T492 WeakPolarHBondContact CA-OG1 3.37Å; C489-T492 PolarHBondContact O-OG1 3.37Å; I490-T492 PolarHBondContact O-N 3.39Å; T492-T496 WeakPolarHBondContact O-CB 3.49Å; T492-T496 VanDerWaalsContact O-CG2 3.23Å; T492-T496 WeakPolarHBondContact O-CG2 3.33Å; T492-T496 PolarHBondContact O-N 3.36Å; T492-T496 PolarHBondContact O-OG1 3.21Å; T492-C564 HydrophobicContact CG2-CB 4.21Å
493	V	95.3	Very high	92.3	Very high	36 Å²	36	26.1 Å²	26.1	22%	0.218	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-46.8	175.4	171.8	0	0	0	0	111.4	C489 I490 V491 V495 T496 I497 V567	C489-V493 WeakPolarHBondContact O-CB 3.45Å; C489-V493 VanDerWaalsContact O-CG2 3.27Å; C489-V493 WeakPolarHBondContact O-CG2 3.34Å; C489-V493 PolarHBondContact O-N 3.45Å; C489-V493 VanDerWaalsContact O-N 3.07Å; I490-V493 PolarHBondContact O-N 2.96Å; V491-V493 PolarHBondContact O-N 3.45Å; V493-V495 PolarHBondContact O-N 2.97Å; V493-T496 WeakPolarHBondContact CA-OG1 3.46Å; V493-T496 PolarHBondContact O-N 3.33Å; V493-T496 PolarHBondContact O-OG1 2.8Å; V493-I497 HydrophobicContact CG1-CD1 3.7Å; V493-I497 HydrophobicContact CG1-CG1 4.41Å; V493-I497 WeakPolarHBondContact O-CB 3.44Å; V493-I497 VanDerWaalsContact O-CG1 3.24Å; V493-I497 WeakPolarHBondContact O-CG1 3.31Å; V493-I497 PolarHBondContact O-N 3.42Å; V493-V567 HydrophobicContact CG2-CG1 3.77Å
494	C	92.5	Very high	92.2	Very high	14 Å²	14	22.2 Å²	22.2	10%	0.095	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-47.5	179.6	-71.8	0	0	0	0	112	L233 V237 I490 V491 I497 V498	L233-C494 HydrophobicContact CB-CB 4.14Å; V237-C494 HydrophobicContact CG2-CB 4.18Å; I490-C494 WeakPolarHBondContact O-CB 3.44Å; I490-C494 PolarHBondContact O-N 3.46Å; I490-C494 PolarHBondContact O-SG 2.83Å; I490-C494 VanDerWaalsContact O-SG 3.33Å; V491-C494 PolarHBondContact O-N 2.83Å; C494-I497 PolarHBondContact O-N 3.47Å; C494-V498 WeakPolarHBondContact O-CG2 3.44Å; C494-V498 PolarHBondContact O-N 3.24Å; C494-V498 VanDerWaalsContact O-N 3.12Å
495	V	92.9	Very high	91.9	Very high	9 Å²	9	23.9 Å²	23.9	6%	0.055	13%	0.128	C	C	.	.	H	α-helix	trans	-66.4	-42.4	-178.4	177.1	0	0	0	0	111.1	L233 G450 L453 P454 V491 V493 I497 V498 C499	L233-V495 HydrophobicContact CD1-CG2 3.82Å; L233-V495 HydrophobicContact CD2-CG2 4.2Å; G450-V495 VanDerWaalsContact O-CG1 3.25Å; G450-V495 WeakPolarHBondContact O-CG1 3.45Å; L453-V495 HydrophobicContact CB-CG2 4.03Å; L453-V495 HydrophobicContact CD1-CG2 4.11Å; P454-V495 HydrophobicContact CG-CG2 4.41Å; V491-V495 HydrophobicContact CG1-CG2 4.14Å; V491-V495 WeakPolarHBondContact O-CB 3.39Å; V491-V495 VanDerWaalsContact O-CG2 3.26Å; V491-V495 WeakPolarHBondContact O-CG2 3.26Å; V491-V495 PolarHBondContact O-N 3.23Å; V493-V495 PolarHBondContact O-N 2.97Å; V495-I497 PolarHBondContact O-N 3.45Å; V495-V498 PolarHBondContact O-N 3.28Å; V495-C499 WeakPolarHBondContact O-CB 3.41Å; V495-C499 PolarHBondContact O-N 3.42Å; V495-C499 PolarHBondContact O-SG 3.42Å
496	T	94.5	Very high	91.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-36.1	177.4	49.1	0	0	0	0	113.4	T492 V493 T500 S515 S518 A519 G568 T572	T492-T496 WeakPolarHBondContact O-CB 3.49Å; T492-T496 VanDerWaalsContact O-CG2 3.23Å; T492-T496 WeakPolarHBondContact O-CG2 3.33Å; T492-T496 PolarHBondContact O-N 3.36Å; T492-T496 PolarHBondContact O-OG1 3.21Å; V493-T496 WeakPolarHBondContact CA-OG1 3.46Å; V493-T496 PolarHBondContact O-N 3.33Å; V493-T496 PolarHBondContact O-OG1 2.8Å; T496-T500 VanDerWaalsContact O-CB 3.24Å; T496-T500 WeakPolarHBondContact O-CB 3.33Å; T496-T500 PolarHBondContact O-N 3.12Å; T496-T500 PolarHBondContact O-OG1 3.08Å; T496-S515 WeakPolarHBondContact CG2-O 3.35Å; T496-S518 WeakPolarHBondContact CG2-OG 3.18Å; T496-A519 HydrophobicContact CG2-CB 3.44Å; T496-A519 VanDerWaalsContact CG2-CB 3.44Å; T496-G568 PolarHBondContact OG1-O 3.33Å; T496-T572 WeakPolarHBondContact CB-OG1 3.36Å; T496-T572 PolarHBondContact OG1-OG1 3.07Å
497	I	92.7	Very high	91.3	Very high	23 Å²	23	22.4 Å²	22.4	12%	0.118	12%	0.119	C	C	.	.	H	α-helix	trans	-61.6	-46.5	172.4	-72.2	169	0	0	0	110.4	V237 V493 C494 V495 T500 Y501 F575	V237-I497 HydrophobicContact CG1-CG2 4.25Å; V493-I497 HydrophobicContact CG1-CD1 3.7Å; V493-I497 HydrophobicContact CG1-CG1 4.41Å; V493-I497 WeakPolarHBondContact O-CB 3.44Å; V493-I497 VanDerWaalsContact O-CG1 3.24Å; V493-I497 WeakPolarHBondContact O-CG1 3.31Å; V493-I497 PolarHBondContact O-N 3.42Å; C494-I497 PolarHBondContact O-N 3.47Å; V495-I497 PolarHBondContact O-N 3.45Å; I497-T500 PolarHBondContact O-N 3.14Å; I497-Y501 VanDerWaalsContact O-CB 3.3Å; I497-Y501 WeakPolarHBondContact O-CB 3.3Å; I497-Y501 PolarHBondContact O-N 2.85Å; I497-F575 HydrophobicContact CD1-CB 4.07Å; I497-F575 HydrophobicContact CD1-CG 4.42Å; I497-F575 HydrophobicContact CG1-CB 4Å; I497-F575 HydrophobicContact CG1-CD1 4.48Å; I497-F575 HydrophobicContact CG1-CG 4.15Å; I497-F575 HydrophobicContact CG2-CD1 3.98Å; I497-F575 HydrophobicContact CG2-CD2 3.8Å; I497-F575 HydrophobicContact CG2-CE1 4.03Å; I497-F575 HydrophobicContact CG2-CE2 3.83Å; I497-F575 HydrophobicContact CG2-CG 3.87Å; I497-F575 HydrophobicContact CG2-CZ 3.96Å
498	V	89.6	Confident	91.3	Very high	20 Å²	20	21.5 Å²	21.5	12%	0.121	12%	0.115	C	C	.	.	H	α-helix	trans	-62.4	-48.9	178.2	174.6	0	0	0	0	111.1	L236 V237 I240 C494 V495 T500 Y501 F502	L236-V498 HydrophobicContact CD2-CG1 4.39Å; L236-V498 HydrophobicContact CD2-CG2 3.78Å; V237-V498 HydrophobicContact CG2-CG2 3.55Å; I240-V498 HydrophobicContact CD1-CG2 4.4Å; C494-V498 WeakPolarHBondContact O-CG2 3.44Å; C494-V498 PolarHBondContact O-N 3.24Å; C494-V498 VanDerWaalsContact O-N 3.12Å; V495-V498 PolarHBondContact O-N 3.28Å; V498-T500 VanDerWaalsContact C-N 3.32Å; V498-T500 PolarHBondContact O-N 2.94Å; V498-Y501 PolarHBondContact O-N 3.3Å; V498-F502 HydrophobicContact CG1-CD2 3.76Å; V498-F502 HydrophobicContact CG1-CE2 3.42Å; V498-F502 VanDerWaalsContact CG1-CE2 3.42Å; V498-F502 HydrophobicContact CG1-CZ 4.44Å; V498-F502 VanDerWaalsContact O-CD2 3.26Å; V498-F502 WeakPolarHBondContact O-CD2 3.32Å; V498-F502 PolarHBondContact O-N 3.49Å
499	C	91.3	Very high	91.1	Very high	14 Å²	14	23.1 Å²	23.1	10%	0.095	12%	0.12	C	C	.	.	H	α-helix	trans	-56.7	-45.6	176.6	-72.6	0	0	0	0	111.9	I446 V495 F502 L503	I446-C499 HydrophobicContact CG2-CB 3.45Å; I446-C499 VanDerWaalsContact CG2-CB 3.45Å; V495-C499 WeakPolarHBondContact O-CB 3.41Å; V495-C499 PolarHBondContact O-N 3.42Å; V495-C499 PolarHBondContact O-SG 3.42Å; C499-F502 PolarHBondContact O-N 2.86Å; C499-L503 PolarHBondContact O-N 2.9Å; C499-L503 VanDerWaalsContact O-N 3.08Å
500	T	92	Very high	90.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.5	-39.1	179	-60.9	0	0	0	0	111.8	T496 I497 V498 L503 L504 W511 S515 T572 V576	T496-T500 VanDerWaalsContact O-CB 3.24Å; T496-T500 WeakPolarHBondContact O-CB 3.33Å; T496-T500 PolarHBondContact O-N 3.12Å; T496-T500 PolarHBondContact O-OG1 3.08Å; I497-T500 PolarHBondContact O-N 3.14Å; V498-T500 VanDerWaalsContact C-N 3.32Å; V498-T500 PolarHBondContact O-N 2.94Å; T500-L503 WeakPolarHBondContact O-CB 3.37Å; T500-L503 PolarHBondContact O-N 2.72Å; T500-L504 HydrophobicContact CG2-CD1 3.98Å; T500-L504 HydrophobicContact CG2-CG 4.22Å; T500-L504 WeakPolarHBondContact O-CG 3.33Å; T500-L504 PolarHBondContact O-N 3.33Å; T500-W511 HydrophobicContact CG2-CB 3.63Å; T500-W511 HydrophobicContact CG2-CD2 4.42Å; T500-W511 HydrophobicContact CG2-CE3 4.3Å; T500-W511 HydrophobicContact CG2-CG 4.18Å; T500-S515 WeakPolarHBondContact OG1-CB 3.41Å; T500-T572 HydrophobicContact CG2-CG2 3.53Å; T500-T572 VanDerWaalsContact OG1-CG2 3.22Å; T500-T572 WeakPolarHBondContact OG1-CG2 3.29Å; T500-V576 HydrophobicContact CG2-CG2 4.13Å
501	Y	88.3	Confident	91	Very high	35 Å²	35	24.2 Å²	24.2	14%	0.137	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-42.3	176.3	-175.8	-106.5	0	0	0	111.8	I240 T244 I497 V498 L503 L504 N505 F575	I240-Y501 HydrophobicContact CG2-CD1 3.63Å; I240-Y501 HydrophobicContact CG2-CE1 3.37Å; I240-Y501 HydrophobicContact CG2-CE2 4.34Å; I240-Y501 HydrophobicContact CG2-CG 4.2Å; T244-Y501 PolarHBondContact OG1-OH 2.95Å; T244-Y501 VanDerWaalsContact OG1-OH 3.04Å; I497-Y501 VanDerWaalsContact O-CB 3.3Å; I497-Y501 WeakPolarHBondContact O-CB 3.3Å; I497-Y501 PolarHBondContact O-N 2.85Å; V498-Y501 PolarHBondContact O-N 3.3Å; Y501-L503 VanDerWaalsContact C-N 3.33Å; Y501-L503 PolarHBondContact O-N 3.48Å; Y501-L504 PolarHBondContact O-N 3.46Å; Y501-N505 WeakPolarHBondContact CD1-ND2 3.3Å; Y501-N505 WeakPolarHBondContact CE1-ND2 3.48Å; Y501-N505 VanDerWaalsContact CZ-ND2 3.31Å; Y501-N505 WeakPolarHBondContact O-CB 3.22Å; Y501-N505 VanDerWaalsContact O-CG 3.3Å; Y501-N505 PolarHBondContact O-N 2.65Å; Y501-N505 PolarHBondContact O-ND2 3.43Å; Y501-F575 HydrophobicContact CD2-CZ 4.18Å
502	F	87.3	Confident	91.1	Very high	90 Å²	90	25.1 Å²	25.1	40%	0.395	12%	0.121	S	C	.	.	H	α-helix	trans	-60.6	-42.1	173.1	-77.9	-55.4	0	0	0	112.5	M441 V498 C499 N505 A506	M441-F502 HydrophobicContact CE-CB 4.49Å; M441-F502 HydrophobicContact CE-CD1 3.82Å; M441-F502 HydrophobicContact SD-CB 4.04Å; M441-F502 HydrophobicContact SD-CD1 4.33Å; M441-F502 HydrophobicContact SD-CG 4.47Å; V498-F502 HydrophobicContact CG1-CD2 3.76Å; V498-F502 HydrophobicContact CG1-CE2 3.42Å; V498-F502 VanDerWaalsContact CG1-CE2 3.42Å; V498-F502 HydrophobicContact CG1-CZ 4.44Å; V498-F502 VanDerWaalsContact O-CD2 3.26Å; V498-F502 WeakPolarHBondContact O-CD2 3.32Å; V498-F502 PolarHBondContact O-N 3.49Å; C499-F502 PolarHBondContact O-N 2.86Å; F502-N505 PolarHBondContact O-N 3.02Å; F502-A506 PolarHBondContact O-N 3.41Å
503	L	90.4	Very high	91.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-46.5	176.9	-174.2	76.2	0	0	0	112.2	P443 I446 C499 T500 Y501 N505 A506 D508 W511 T514	P443-L503 HydrophobicContact CG-CD1 3.91Å; I446-L503 HydrophobicContact CD1-CB 4.28Å; I446-L503 HydrophobicContact CD1-CD1 4.23Å; C499-L503 PolarHBondContact O-N 2.9Å; C499-L503 VanDerWaalsContact O-N 3.08Å; T500-L503 WeakPolarHBondContact O-CB 3.37Å; T500-L503 PolarHBondContact O-N 2.72Å; Y501-L503 VanDerWaalsContact C-N 3.33Å; Y501-L503 PolarHBondContact O-N 3.48Å; L503-N505 VanDerWaalsContact C-N 3.32Å; L503-N505 PolarHBondContact O-N 2.87Å; L503-A506 CarbonylContact O-C 3.49Å; L503-A506 WeakPolarHBondContact O-CA 3.47Å; L503-A506 WeakPolarHBondContact O-CB 3.49Å; L503-A506 PolarHBondContact O-N 2.88Å; L503-D508 HydrophobicContact CD1-CB 3.75Å; L503-D508 HydrophobicContact CG-CB 3.94Å; L503-D508 PolarHBondContact O-N 3.3Å; L503-W511 HydrophobicContact CD2-CB 4.02Å; L503-T514 HydrophobicContact CD2-CG2 4.01Å
504	L	89	Confident	91.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.8	-35.2	179.1	-69.5	175.3	0	0	0	111.9	G270 W271 V274 V278 T500 Y501 A506 E507 W511 V576 I579 Y580	G270-L504 CarbonylContact C-O 3.51Å; W271-L504 VanDerWaalsContact CA-O 3.27Å; W271-L504 WeakPolarHBondContact CA-O 3.47Å; W271-L504 HydrophobicContact CB-CB 3.77Å; W271-L504 PolarHBondContact N-O 3.29Å; V274-L504 HydrophobicContact CG2-CD2 4.18Å; V278-L504 HydrophobicContact CG2-CD2 4.12Å; T500-L504 HydrophobicContact CG2-CD1 3.98Å; T500-L504 HydrophobicContact CG2-CG 4.22Å; T500-L504 WeakPolarHBondContact O-CG 3.33Å; T500-L504 PolarHBondContact O-N 3.33Å; Y501-L504 PolarHBondContact O-N 3.46Å; L504-A506 PolarHBondContact O-N 3.32Å; L504-E507 PolarHBondContact O-N 3.14Å; L504-W511 HydrophobicContact CD2-CB 4.4Å; L504-V576 HydrophobicContact CD1-CG2 4.28Å; L504-I579 HydrophobicContact CD1-CD1 4.32Å; L504-Y580 HydrophobicContact CD1-CE2 4.36Å
505	N	85.1	Confident	91.3	Very high	53 Å²	53	25.8 Å²	25.8	28%	0.283	12%	0.118	S	C	.	.	H	α-helix	trans	-65.7	-23	172.7	-75.9	-43.4	0	0	0	113.3	W271 Y501 F502 L503	W271-N505 VanDerWaalsContact CD1-OD1 3.25Å; Y501-N505 WeakPolarHBondContact CD1-ND2 3.3Å; Y501-N505 WeakPolarHBondContact CE1-ND2 3.48Å; Y501-N505 VanDerWaalsContact CZ-ND2 3.31Å; Y501-N505 WeakPolarHBondContact O-CB 3.22Å; Y501-N505 VanDerWaalsContact O-CG 3.3Å; Y501-N505 PolarHBondContact O-N 2.65Å; Y501-N505 PolarHBondContact O-ND2 3.43Å; F502-N505 PolarHBondContact O-N 3.02Å; L503-N505 VanDerWaalsContact C-N 3.32Å; L503-N505 PolarHBondContact O-N 2.87Å
506	A	85.8	Confident	91.5	Very high	17 Å²	17	25.8 Å²	25.8	14%	0.14	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	16.5	172.2	0	0	0	0	0	112.5	K437 M441 F502 L503 L504 D508	K437-A506 HydrophobicContact CB-CB 4.49Å; M441-A506 HydrophobicContact CB-CB 4.11Å; M441-A506 HydrophobicContact CG-CB 4.43Å; F502-A506 PolarHBondContact O-N 3.41Å; L503-A506 CarbonylContact O-C 3.49Å; L503-A506 WeakPolarHBondContact O-CA 3.47Å; L503-A506 WeakPolarHBondContact O-CB 3.49Å; L503-A506 PolarHBondContact O-N 2.88Å; L504-A506 PolarHBondContact O-N 3.32Å; A506-D508 PolarHBondContact O-N 3.06Å; A506-D508 VanDerWaalsContact O-N 3.1Å
507	E	88.3	Confident	91.7	Very high	34 Å²	34	29.2 Å²	29.2	16%	0.159	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	20.7	178.4	-68	172.5	-146.2	0	0	114.3	G270 Q273 V274 R432 P435 L504	G270-E507 WeakPolarHBondContact O-CG 3.43Å; Q273-E507 PolarHBondContact OE1-OE1 3.12Å; Q273-E507 PolarHBondContact OE1-OE2 3.35Å; V274-E507 HydrophobicContact CG1-CB 4.21Å; V274-E507 WeakPolarHBondContact CG1-O 3.33Å; R432-E507 IonicContact CZ-OE2 3.22Å; R432-E507 IonicContact NH1-OE2 3.56Å; R432-E507 PolarHBondContact NH1-OE2 2.93Å; R432-E507 IonicContact NH2-OE2 3.2Å; P435-E507 HydrophobicContact CG-CB 3.75Å; L504-E507 PolarHBondContact O-N 3.14Å
508	D	90.6	Very high	91.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.13	C	C	.	.			trans	-97.1	104.6	175.5	-166.2	-23.6	0	0	0	110.2	I434 K437 L503 A506 R510	I434-D508 HydrophobicContact CG2-CB 4.1Å; K437-D508 IonicContact NZ-OD2 3.66Å; K437-D508 PolarHBondContact NZ-OD2 3.29Å; L503-D508 HydrophobicContact CD1-CB 3.75Å; L503-D508 HydrophobicContact CG-CB 3.94Å; L503-D508 PolarHBondContact O-N 3.3Å; A506-D508 PolarHBondContact O-N 3.06Å; A506-D508 VanDerWaalsContact O-N 3.1Å; D508-R510 PolarHBondContact O-N 3.01Å; D508-R510 VanDerWaalsContact OD1-CB 3.29Å; D508-R510 WeakPolarHBondContact OD1-CB 3.32Å; D508-R510 WeakPolarHBondContact OD1-CG 3.2Å; D508-R510 IonicContact OD1-CZ 2.7Å; D508-R510 PolarHBondContact OD1-N 3.4Å; D508-R510 VanDerWaalsContact OD1-N 3.08Å; D508-R510 IonicContact OD1-NE 2.77Å; D508-R510 PolarHBondContact OD1-NE 2.8Å; D508-R510 IonicContact OD1-NH2 2.86Å; D508-R510 IonicContact OD2-CZ 3.34Å; D508-R510 IonicContact OD2-NE 3.13Å; D508-R510 IonicContact OD2-NH2 2.94Å; D508-R510 PolarHBondContact OD2-NH2 3.44Å
509	Y	90.6	Very high	92.2	Very high	42 Å²	42	27.2 Å²	27.2	17%	0.165	12%	0.124	C	C	.	.			trans	-74.6	-2.6	-178.6	62.3	-96.9	0	0	0	113.9	D277 P431 I434 W511	D277-Y509 HydrophobicContact CB-CD1 3.72Å; D277-Y509 HydrophobicContact CB-CD2 4.14Å; D277-Y509 HydrophobicContact CB-CE1 4.22Å; D277-Y509 HydrophobicContact CB-CG 3.69Å; P431-Y509 WeakPolarHBondContact CB-OH 3.49Å; I434-Y509 HydrophobicContact CD1-CE1 4.28Å; I434-Y509 HydrophobicContact CG1-CD1 4.5Å; I434-Y509 HydrophobicContact CG1-CE1 4.08Å; Y509-W511 PolarHBondContact O-N 2.96Å
510	R	91.7	Very high	92.5	Very high	115 Å²	115	27.3 Å²	27.3	43%	0.434	13%	0.126	S	C	.	.			trans	-82	45.3	-176.8	-59.2	174.6	-65	-177.6	-1.6	112.8	D508 Q512 T514	D508-R510 PolarHBondContact O-N 3.01Å; D508-R510 VanDerWaalsContact OD1-CB 3.29Å; D508-R510 WeakPolarHBondContact OD1-CB 3.32Å; D508-R510 WeakPolarHBondContact OD1-CG 3.2Å; D508-R510 IonicContact OD1-CZ 2.7Å; D508-R510 PolarHBondContact OD1-N 3.4Å; D508-R510 VanDerWaalsContact OD1-N 3.08Å; D508-R510 IonicContact OD1-NE 2.77Å; D508-R510 PolarHBondContact OD1-NE 2.8Å; D508-R510 IonicContact OD1-NH2 2.86Å; D508-R510 IonicContact OD2-CZ 3.34Å; D508-R510 IonicContact OD2-NE 3.13Å; D508-R510 IonicContact OD2-NH2 2.94Å; D508-R510 PolarHBondContact OD2-NH2 3.44Å; R510-Q512 PolarHBondContact O-N 2.88Å; R510-T514 PolarHBondContact O-OG1 3.5Å
511	W	93.9	Very high	92.7	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-71.2	-26	-173.7	66.5	-90.3	0	0	0	114.4	V278 T500 L503 L504 Y509 W513 T514 S515 Y569 T572 V576	V278-W511 PolarHBondContact O-NE1 2.95Å; T500-W511 HydrophobicContact CG2-CB 3.63Å; T500-W511 HydrophobicContact CG2-CD2 4.42Å; T500-W511 HydrophobicContact CG2-CE3 4.3Å; T500-W511 HydrophobicContact CG2-CG 4.18Å; L503-W511 HydrophobicContact CD2-CB 4.02Å; L504-W511 HydrophobicContact CD2-CB 4.4Å; Y509-W511 PolarHBondContact O-N 2.96Å; W511-W513 PolarHBondContact O-N 3.27Å; W511-T514 PolarHBondContact O-N 3.23Å; W511-S515 VanDerWaalsContact O-CB 3.3Å; W511-S515 WeakPolarHBondContact O-CB 3.22Å; W511-S515 PolarHBondContact O-N 3.32Å; W511-S515 PolarHBondContact O-OG 3.12Å; W511-S515 VanDerWaalsContact O-OG 3.12Å; W511-Y569 HydrophobicContact CH2-CD2 4.46Å; W511-Y569 AromaticContact CH2-CE2 3.81Å; W511-Y569 HydrophobicContact CH2-CE2 3.81Å; W511-Y569 AromaticContact CZ3-CD2 3.95Å; W511-Y569 HydrophobicContact CZ3-CD2 3.95Å; W511-Y569 AromaticContact CZ3-CE2 3.73Å; W511-Y569 HydrophobicContact CZ3-CE2 3.73Å; W511-T572 HydrophobicContact CE3-CG2 3.7Å; W511-T572 HydrophobicContact CZ3-CG2 3.81Å; W511-V576 HydrophobicContact CD2-CG2 4.05Å; W511-V576 HydrophobicContact CE3-CG2 4.13Å; W511-V576 HydrophobicContact CH2-CB 4.37Å; W511-V576 HydrophobicContact CH2-CG2 4.35Å; W511-V576 HydrophobicContact CZ2-CB 4.18Å; W511-V576 HydrophobicContact CZ2-CG1 3.91Å; W511-V576 HydrophobicContact CZ2-CG2 4.27Å; W511-V576 HydrophobicContact CZ3-CG2 4.28Å
512	Q	95.6	Very high	93.1	Very high	19 Å²	19	26 Å²	26	9%	0.089	12%	0.122	C	C	.	.	H	α-helix	trans	-58.6	-53.3	-172.3	-63.1	166	-26.4	0	0	111.8	R280 F288 R510 S515 F516 Y569	R280-Q512 PolarHBondContact O-NE2 3.37Å; R280-Q512 PolarHBondContact O-OE1 2.93Å; F288-Q512 HydrophobicContact CE1-CB 4.22Å; F288-Q512 HydrophobicContact CZ-CB 3.88Å; R510-Q512 PolarHBondContact O-N 2.88Å; Q512-S515 PolarHBondContact O-OG 3.47Å; Q512-F516 PolarHBondContact O-N 3.46Å; Q512-Y569 HydrophobicContact CB-CE2 4.08Å; Q512-Y569 HydrophobicContact CG-CE2 4.1Å
513	W	96.1	Very high	93.6	Very high	58 Å²	58	22.1 Å²	22.1	22%	0.22	11%	0.107	C	C	.	.	H	α-helix	trans	-68.2	-40.2	175.6	-83	106.6	0	0	0	112.9	S283 I287 F288 L291 W511 S515 F516 L517	S283-W513 PolarHBondContact O-NE1 3.17Å; I287-W513 HydrophobicContact CG2-CH2 4.43Å; F288-W513 HydrophobicContact CB-CH2 4.18Å; F288-W513 HydrophobicContact CB-CZ2 3.62Å; F288-W513 AromaticContact CD2-CD2 3.69Å; F288-W513 HydrophobicContact CD2-CD2 3.69Å; F288-W513 AromaticContact CD2-CE2 3.57Å; F288-W513 AromaticContact CD2-CE3 3.89Å; F288-W513 HydrophobicContact CD2-CE3 3.89Å; F288-W513 HydrophobicContact CD2-CG 4.32Å; F288-W513 AromaticContact CD2-CH2 3.94Å; F288-W513 HydrophobicContact CD2-CH2 3.94Å; F288-W513 AromaticContact CD2-CZ2 3.72Å; F288-W513 HydrophobicContact CD2-CZ2 3.72Å; F288-W513 HydrophobicContact CD2-CZ3 4Å; F288-W513 HydrophobicContact CE2-CD2 4.14Å; F288-W513 HydrophobicContact CE2-CE3 4.28Å; F288-W513 HydrophobicContact CE2-CG 4.46Å; F288-W513 HydrophobicContact CG-CZ2 4.12Å; L291-W513 HydrophobicContact CD1-CH2 3.91Å; L291-W513 HydrophobicContact CD1-CZ3 4.03Å; W511-W513 PolarHBondContact O-N 3.27Å; W513-S515 VanDerWaalsContact C-N 3.32Å; W513-S515 PolarHBondContact O-N 2.88Å; W513-F516 HydrophobicContact CE3-CD1 4.35Å; W513-F516 HydrophobicContact CZ3-CD1 4.3Å; W513-F516 PolarHBondContact O-N 3.2Å; W513-L517 HydrophobicContact CE3-CD1 4.33Å; W513-L517 HydrophobicContact CE3-CG 4.28Å; W513-L517 WeakPolarHBondContact O-CB 3.35Å; W513-L517 VanDerWaalsContact O-CG 3.31Å; W513-L517 WeakPolarHBondContact O-CG 3.39Å; W513-L517 PolarHBondContact O-N 2.91Å
514	T	95.3	Very high	93.9	Very high	8 Å²	8	26.2 Å²	26.2	5%	0.049	13%	0.131	C	C	.	.	H	α-helix	trans	-61.3	-42.5	179.9	-51.9	0	0	0	0	111.3	P443 I446 V447 L503 R510 W511 S518	P443-T514 HydrophobicContact CB-CG2 4.39Å; I446-T514 HydrophobicContact CG2-CG2 4.15Å; V447-T514 HydrophobicContact CG2-CG2 4.21Å; L503-T514 HydrophobicContact CD2-CG2 4.01Å; R510-T514 PolarHBondContact O-OG1 3.5Å; W511-T514 PolarHBondContact O-N 3.23Å; T514-S518 VanDerWaalsContact O-CB 3.25Å; T514-S518 WeakPolarHBondContact O-CB 3.46Å; T514-S518 PolarHBondContact O-N 2.72Å; T514-S518 PolarHBondContact O-OG 2.92Å
515	S	96.4	Very high	94.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.3	-40.3	176.8	68.7	0	0	0	0	112.8	T496 T500 W511 Q512 W513	T496-S515 WeakPolarHBondContact CG2-O 3.35Å; T500-S515 WeakPolarHBondContact OG1-CB 3.41Å; W511-S515 VanDerWaalsContact O-CB 3.3Å; W511-S515 WeakPolarHBondContact O-CB 3.22Å; W511-S515 PolarHBondContact O-N 3.32Å; W511-S515 PolarHBondContact O-OG 3.12Å; W511-S515 VanDerWaalsContact O-OG 3.12Å; Q512-S515 PolarHBondContact O-OG 3.47Å; W513-S515 VanDerWaalsContact C-N 3.32Å; W513-S515 PolarHBondContact O-N 2.88Å
516	F	97.7	Very high	94.8	Very high	9 Å²	9	26.1 Å²	26.1	4%	0.039	13%	0.127	C	C	.	.	H	α-helix	trans	-66.2	-50.8	175.5	178	-91.4	0	0	0	110.9	F288 L291 I292 Q512 W513 S518 A519 A520 G565	F288-F516 HydrophobicContact CE2-CB 3.96Å; F288-F516 HydrophobicContact CE2-CG 4.35Å; L291-F516 HydrophobicContact CB-CE2 4.14Å; L291-F516 HydrophobicContact CB-CZ 3.88Å; L291-F516 HydrophobicContact CD1-CE1 4.17Å; L291-F516 HydrophobicContact CD1-CZ 4.21Å; L291-F516 HydrophobicContact CD2-CZ 4.46Å; L291-F516 HydrophobicContact CG-CZ 4.43Å; I292-F516 HydrophobicContact CD1-CD2 3.48Å; I292-F516 VanDerWaalsContact CD1-CD2 3.48Å; I292-F516 HydrophobicContact CD1-CE2 3.92Å; Q512-F516 PolarHBondContact O-N 3.46Å; W513-F516 HydrophobicContact CE3-CD1 4.35Å; W513-F516 HydrophobicContact CZ3-CD1 4.3Å; W513-F516 PolarHBondContact O-N 3.2Å; F516-S518 PolarHBondContact O-N 3.45Å; F516-A519 PolarHBondContact O-N 3.26Å; F516-A520 HydrophobicContact CE1-CB 4.3Å; F516-A520 VanDerWaalsContact O-CB 3.3Å; F516-A520 WeakPolarHBondContact O-CB 3.42Å; F516-A520 PolarHBondContact O-N 3.24Å; F516-G565 WeakPolarHBondContact CD2-O 3.23Å; F516-G565 VanDerWaalsContact O-CA 3.26Å; F516-G565 WeakPolarHBondContact O-CA 3.36Å
517	L	97.4	Very high	95.3	Very high	73 Å²	73	28.9 Å²	28.9	38%	0.382	14%	0.135	S	C	.	.	H	α-helix	trans	-69.4	-33.5	-176	-69.1	173.3	0	0	0	112.5	V447 W513 A519 A520 S521	V447-L517 HydrophobicContact CB-CB 4.43Å; V447-L517 HydrophobicContact CG1-CB 3.83Å; V447-L517 HydrophobicContact CG2-CB 3.65Å; W513-L517 HydrophobicContact CE3-CD1 4.33Å; W513-L517 HydrophobicContact CE3-CG 4.28Å; W513-L517 WeakPolarHBondContact O-CB 3.35Å; W513-L517 VanDerWaalsContact O-CG 3.31Å; W513-L517 WeakPolarHBondContact O-CG 3.39Å; W513-L517 PolarHBondContact O-N 2.91Å; L517-A519 VanDerWaalsContact C-N 3.32Å; L517-A519 PolarHBondContact O-N 3.48Å; L517-A520 PolarHBondContact O-N 3.48Å; L517-S521 WeakPolarHBondContact O-CB 3.43Å; L517-S521 PolarHBondContact O-N 2.88Å
518	S	96.1	Very high	95.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-71.4	-26.5	179.3	85.4	0	0	0	0	113.1	G450 G451 T496 T514 F516 S521	G450-S518 CarbonylContact C-O 3.51Å; G451-S518 PolarHBondContact N-O 2.82Å; T496-S518 WeakPolarHBondContact CG2-OG 3.18Å; T514-S518 VanDerWaalsContact O-CB 3.25Å; T514-S518 WeakPolarHBondContact O-CB 3.46Å; T514-S518 PolarHBondContact O-N 2.72Å; T514-S518 PolarHBondContact O-OG 2.92Å; F516-S518 PolarHBondContact O-N 3.45Å; S518-S521 PolarHBondContact O-OG 3.46Å
519	A	96.8	Very high	95.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-83.6	-36.9	167.4	0	0	0	0	0	112.1	T496 F516 L517 S521 T522 C564	T496-A519 HydrophobicContact CG2-CB 3.44Å; T496-A519 VanDerWaalsContact CG2-CB 3.44Å; F516-A519 PolarHBondContact O-N 3.26Å; L517-A519 VanDerWaalsContact C-N 3.32Å; L517-A519 PolarHBondContact O-N 3.48Å; A519-S521 PolarHBondContact O-N 2.86Å; A519-T522 WeakPolarHBondContact O-CB 3.49Å; A519-T522 PolarHBondContact O-N 3.46Å; A519-T522 PolarHBondContact O-OG1 3.42Å; A519-C564 HydrophobicContact CB-CB 4.26Å; A519-C564 WeakPolarHBondContact CB-O 3.45Å; A519-C564 WeakPolarHBondContact O-CB 3.48Å
520	A	97.5	Very high	96	Very high	15 Å²	15	30.7 Å²	30.7	12%	0.124	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-27.6	177.2	0	0	0	0	0	112.5	F516 L517 T522 A523 G561	F516-A520 HydrophobicContact CE1-CB 4.3Å; F516-A520 VanDerWaalsContact O-CB 3.3Å; F516-A520 WeakPolarHBondContact O-CB 3.42Å; F516-A520 PolarHBondContact O-N 3.24Å; L517-A520 PolarHBondContact O-N 3.48Å; A520-T522 PolarHBondContact O-N 3.49Å; A520-T522 VanDerWaalsContact O-N 3.14Å; A520-A523 VanDerWaalsContact O-CB 3.29Å; A520-A523 WeakPolarHBondContact O-CB 3.25Å; A520-A523 PolarHBondContact O-N 2.89Å; A520-G561 WeakPolarHBondContact CA-O 3.48Å; A520-G561 VanDerWaalsContact CB-O 3.25Å; A520-G561 WeakPolarHBondContact CB-O 3.48Å
521	S	97.3	Very high	96.2	Very high	8 Å²	8	29 Å²	29	6%	0.056	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.7	179	64.4	0	0	0	0	113.6	V447 G451 L517 S518 A519 A523 V524 Y525	V447-S521 WeakPolarHBondContact O-CB 3.2Å; V447-S521 PolarHBondContact O-OG 3.25Å; G451-S521 WeakPolarHBondContact CA-OG 3.24Å; G451-S521 PolarHBondContact N-OG 2.9Å; G451-S521 VanDerWaalsContact N-OG 3.08Å; L517-S521 WeakPolarHBondContact O-CB 3.43Å; L517-S521 PolarHBondContact O-N 2.88Å; S518-S521 PolarHBondContact O-OG 3.46Å; A519-S521 PolarHBondContact O-N 2.86Å; S521-A523 PolarHBondContact O-N 3.26Å; S521-V524 WeakPolarHBondContact O-CB 3.43Å; S521-V524 PolarHBondContact O-N 3.01Å; S521-Y525 VanDerWaalsContact O-CD2 3.23Å; S521-Y525 WeakPolarHBondContact O-CD2 3.41Å; S521-Y525 PolarHBondContact O-N 2.92Å
522	T	96.5	Very high	96.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-52	-37.7	167.9	-59.2	0	0	0	0	112	G451 P454 F455 I458 A519 A520 V524 Y525 V526	G451-T522 PolarHBondContact O-OG1 3.32Å; P454-T522 HydrophobicContact CB-CG2 4.04Å; P454-T522 WeakPolarHBondContact CB-OG1 3.24Å; F455-T522 HydrophobicContact CB-CG2 4.22Å; I458-T522 HydrophobicContact CD1-CG2 4.31Å; A519-T522 WeakPolarHBondContact O-CB 3.49Å; A519-T522 PolarHBondContact O-N 3.46Å; A519-T522 PolarHBondContact O-OG1 3.42Å; A520-T522 PolarHBondContact O-N 3.49Å; A520-T522 VanDerWaalsContact O-N 3.14Å; T522-V524 VanDerWaalsContact C-N 3.3Å; T522-V524 PolarHBondContact O-N 3.02Å; T522-Y525 PolarHBondContact O-N 3.47Å; T522-V526 WeakPolarHBondContact O-CG2 3.37Å; T522-V526 PolarHBondContact O-N 2.84Å; T522-V526 VanDerWaalsContact O-N 3.12Å
523	A	97.1	Very high	96	Very high	9 Å²	9	33.3 Å²	33.3	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-30.1	176.8	0	0	0	0	0	113.9	A520 S521 Y525 V526 Y527 S557	A520-A523 VanDerWaalsContact O-CB 3.29Å; A520-A523 WeakPolarHBondContact O-CB 3.25Å; A520-A523 PolarHBondContact O-N 2.89Å; S521-A523 PolarHBondContact O-N 3.26Å; A523-Y525 VanDerWaalsContact C-N 3.33Å; A523-V526 PolarHBondContact O-N 3.28Å; A523-Y527 WeakPolarHBondContact O-CB 3.34Å; A523-Y527 PolarHBondContact O-N 2.91Å; A523-S557 WeakPolarHBondContact CB-O 3.13Å
524	V	96.6	Very high	95.9	Very high	86 Å²	86	31.4 Å²	31.4	52%	0.521	15%	0.15	S	C	.	.	H	α-helix	trans	-65.4	-42.3	176.2	-179.5	0	0	0	0	109.7	S521 T522 Y527 M528	S521-V524 WeakPolarHBondContact O-CB 3.43Å; S521-V524 PolarHBondContact O-N 3.01Å; T522-V524 VanDerWaalsContact C-N 3.3Å; T522-V524 PolarHBondContact O-N 3.02Å; V524-Y527 PolarHBondContact O-N 2.75Å; V524-M528 HydrophobicContact CG1-CE 4.23Å; V524-M528 WeakPolarHBondContact O-CG 3.47Å; V524-M528 PolarHBondContact O-N 3.35Å
525	Y	96.5	Very high	95.7	Very high	51 Å²	51	37.6 Å²	37.6	20%	0.2	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-40.7	174.6	-66.4	-75.1	0	0	0	112.5	C448 I452 F455 S521 T522 A523 M528 Y529	C448-Y525 WeakPolarHBondContact O-CE2 3.46Å; C448-Y525 PolarHBondContact O-OH 2.94Å; I452-Y525 HydrophobicContact CG1-CE1 3.96Å; I452-Y525 HydrophobicContact CG1-CE2 3.92Å; I452-Y525 VanDerWaalsContact CG1-CZ 3.44Å; I452-Y525 VanDerWaalsContact CG1-OH 3.23Å; I452-Y525 WeakPolarHBondContact CG1-OH 3.47Å; F455-Y525 HydrophobicContact CB-CG 4.3Å; F455-Y525 HydrophobicContact CD1-CG 4.35Å; F455-Y525 VanDerWaalsContact CG-CB 3.46Å; F455-Y525 HydrophobicContact CG-CG 4.27Å; S521-Y525 VanDerWaalsContact O-CD2 3.23Å; S521-Y525 WeakPolarHBondContact O-CD2 3.41Å; S521-Y525 PolarHBondContact O-N 2.92Å; T522-Y525 PolarHBondContact O-N 3.47Å; A523-Y525 VanDerWaalsContact C-N 3.33Å; Y525-M528 HydrophobicContact CD1-CE 3.33Å; Y525-M528 HydrophobicContact CE1-CE 3.7Å; Y525-M528 HydrophobicContact CG-CE 4.01Å; Y525-M528 PolarHBondContact O-N 3.01Å; Y525-Y529 WeakPolarHBondContact O-CB 3.14Å; Y525-Y529 PolarHBondContact O-N 3.19Å
526	V	96.4	Very high	95.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-41.9	174.3	173.6	0	0	0	0	111.6	F455 I458 M462 F466 T522 A523 Y529 S530 F556 L560	F455-V526 HydrophobicContact CD2-CG2 3.8Å; F455-V526 HydrophobicContact CE2-CG2 4.12Å; I458-V526 HydrophobicContact CD1-CG2 4.33Å; M462-V526 HydrophobicContact CE-CB 4.32Å; M462-V526 HydrophobicContact CE-CG1 3.59Å; M462-V526 HydrophobicContact CE-CG2 3.69Å; M462-V526 HydrophobicContact CG-CG1 4.32Å; M462-V526 HydrophobicContact SD-CG1 4.02Å; F466-V526 HydrophobicContact CE1-CG1 4.47Å; F466-V526 HydrophobicContact CZ-CG1 4.05Å; T522-V526 WeakPolarHBondContact O-CG2 3.37Å; T522-V526 PolarHBondContact O-N 2.84Å; T522-V526 VanDerWaalsContact O-N 3.12Å; A523-V526 PolarHBondContact O-N 3.28Å; V526-Y529 WeakPolarHBondContact O-CB 3.25Å; V526-Y529 PolarHBondContact O-N 3.26Å; V526-S530 PolarHBondContact O-N 3.43Å; V526-F556 HydrophobicContact CG1-CD1 4.37Å; V526-F556 HydrophobicContact CG1-CE1 4.01Å; V526-L560 HydrophobicContact CB-CD2 4.33Å; V526-L560 HydrophobicContact CG1-CD2 4.31Å; V526-L560 HydrophobicContact CG2-CD2 3.82Å
527	Y	96.4	Very high	95.1	Very high	74 Å²	74	49.5 Å²	49.5	29%	0.29	23%	0.229	S	C	.	.	H	α-helix	trans	-67.8	-41.4	177.4	-166.8	-117.7	0	0	0	111.7	A523 V524 Y529 S530 F531 M553 A554	A523-Y527 WeakPolarHBondContact O-CB 3.34Å; A523-Y527 PolarHBondContact O-N 2.91Å; V524-Y527 PolarHBondContact O-N 2.75Å; Y527-Y529 VanDerWaalsContact C-N 3.3Å; Y527-Y529 PolarHBondContact O-N 2.8Å; Y527-S530 VanDerWaalsContact O-CB 3.3Å; Y527-S530 WeakPolarHBondContact O-CB 3.48Å; Y527-S530 PolarHBondContact O-N 2.86Å; Y527-S530 PolarHBondContact O-OG 3.49Å; Y527-F531 AromaticContact CD1-CE2 3.91Å; Y527-F531 HydrophobicContact CD1-CE2 3.91Å; Y527-F531 AromaticContact CE1-CE2 3.52Å; Y527-F531 HydrophobicContact CE1-CE2 3.52Å; Y527-F531 HydrophobicContact CE1-CZ 4.13Å; Y527-F531 AromaticContact CZ-CE2 3.91Å; Y527-F531 WeakPolarHBondContact O-CD2 3.28Å; Y527-F531 PolarHBondContact O-N 3.25Å; Y527-M553 HydrophobicContact CD2-CB 4.37Å; Y527-M553 HydrophobicContact CE2-CB 4.19Å; Y527-A554 HydrophobicContact CE2-CB 3.86Å
528	M	95.6	Very high	94.6	Very high	99 Å²	99	47.1 Å²	47.1	49%	0.488	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-40.7	171.8	-72.1	-172.9	-63	0	0	111.9	V524 Y525 S530 F531 Y532	V524-M528 HydrophobicContact CG1-CE 4.23Å; V524-M528 WeakPolarHBondContact O-CG 3.47Å; V524-M528 PolarHBondContact O-N 3.35Å; Y525-M528 HydrophobicContact CD1-CE 3.33Å; Y525-M528 HydrophobicContact CE1-CE 3.7Å; Y525-M528 HydrophobicContact CG-CE 4.01Å; Y525-M528 PolarHBondContact O-N 3.01Å; M528-S530 PolarHBondContact O-N 2.92Å; M528-F531 WeakPolarHBondContact O-CB 3.35Å; M528-F531 PolarHBondContact O-N 3.34Å; M528-F531 VanDerWaalsContact O-N 3.15Å; M528-Y532 PolarHBondContact O-N 3.49Å
529	Y	94.5	Very high	94.2	Very high	15 Å²	15	54.7 Å²	54.7	6%	0.059	25%	0.25	C	S	.	.	H	α-helix	trans	-61.7	-32.6	173.8	-179.7	-113.5	0	0	0	112.4	F455 F459 M462 Y463 F466 Y525 V526 Y527 F531 Y532 Y533	F455-Y529 HydrophobicContact CZ-CG 4.36Å; F459-Y529 HydrophobicContact CD2-CD2 4.35Å; F459-Y529 HydrophobicContact CD2-CE2 4.31Å; F459-Y529 AromaticContact CE2-CD2 3.48Å; F459-Y529 HydrophobicContact CE2-CD2 3.48Å; F459-Y529 VanDerWaalsContact CE2-CD2 3.48Å; F459-Y529 AromaticContact CE2-CE2 3.31Å; F459-Y529 HydrophobicContact CE2-CE2 3.31Å; F459-Y529 HydrophobicContact CE2-CG 4.19Å; F459-Y529 AromaticContact CE2-CZ 3.93Å; F459-Y529 HydrophobicContact CZ-CD2 4.25Å; F459-Y529 AromaticContact CZ-CE2 3.69Å; F459-Y529 HydrophobicContact CZ-CE2 3.69Å; M462-Y529 HydrophobicContact CG-CD1 4.18Å; M462-Y529 HydrophobicContact CG-CE1 4.34Å; Y463-Y529 WeakPolarHBondContact CB-OH 3.22Å; Y463-Y529 WeakPolarHBondContact CD2-OH 3.42Å; F466-Y529 AromaticContact CD2-CD1 3.91Å; F466-Y529 HydrophobicContact CD2-CD1 3.91Å; F466-Y529 AromaticContact CD2-CE1 3.76Å; F466-Y529 HydrophobicContact CD2-CE1 3.76Å; F466-Y529 AromaticContact CE2-CD1 3.42Å; F466-Y529 HydrophobicContact CE2-CD1 3.42Å; F466-Y529 VanDerWaalsContact CE2-CD1 3.42Å; F466-Y529 AromaticContact CE2-CE1 3.78Å; F466-Y529 HydrophobicContact CE2-CE1 3.78Å; F466-Y529 HydrophobicContact CE2-CG 4.46Å; F466-Y529 HydrophobicContact CZ-CD1 4.04Å; Y525-Y529 WeakPolarHBondContact O-CB 3.14Å; Y525-Y529 PolarHBondContact O-N 3.19Å; V526-Y529 WeakPolarHBondContact O-CB 3.25Å; V526-Y529 PolarHBondContact O-N 3.26Å; Y527-Y529 VanDerWaalsContact C-N 3.3Å; Y527-Y529 PolarHBondContact O-N 2.8Å; Y529-F531 VanDerWaalsContact C-N 3.29Å; Y529-F531 PolarHBondContact O-N 3.44Å; Y529-Y532 AromaticContact CD2-CD1 3.93Å; Y529-Y532 HydrophobicContact CD2-CD1 3.93Å; Y529-Y532 AromaticContact CE2-CD1 3.63Å; Y529-Y532 HydrophobicContact CE2-CD1 3.63Å; Y529-Y532 HydrophobicContact CE2-CE1 4.09Å; Y529-Y532 WeakPolarHBondContact O-CB 3.22Å; Y529-Y532 PolarHBondContact O-N 3.43Å; Y529-Y533 WeakPolarHBondContact O-CB 3.22Å; Y529-Y533 PolarHBondContact O-N 3.39Å
530	S	95.1	Very high	93.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-33	174.6	84.6	0	0	0	0	113.3	V526 Y527 M528 Y534 Y549	V526-S530 PolarHBondContact O-N 3.43Å; Y527-S530 VanDerWaalsContact O-CB 3.3Å; Y527-S530 WeakPolarHBondContact O-CB 3.48Å; Y527-S530 PolarHBondContact O-N 2.86Å; Y527-S530 PolarHBondContact O-OG 3.49Å; M528-S530 PolarHBondContact O-N 2.92Å; S530-Y534 WeakPolarHBondContact O-CB 3.46Å; S530-Y534 PolarHBondContact O-N 2.85Å; S530-Y549 WeakPolarHBondContact O-CE1 3.23Å; S530-Y549 PolarHBondContact O-OH 2.97Å
531	F	94.8	Very high	93.6	Very high	81 Å²	81	59.8 Å²	59.8	36%	0.355	27%	0.268	S	S	.	.	H	α-helix	trans	-67	-46.5	171.7	-75.9	-91.8	0	0	0	111.4	Y527 M528 Y529 Y533 Y534 F535 F550	Y527-F531 AromaticContact CD1-CE2 3.91Å; Y527-F531 HydrophobicContact CD1-CE2 3.91Å; Y527-F531 AromaticContact CE1-CE2 3.52Å; Y527-F531 HydrophobicContact CE1-CE2 3.52Å; Y527-F531 HydrophobicContact CE1-CZ 4.13Å; Y527-F531 AromaticContact CZ-CE2 3.91Å; Y527-F531 WeakPolarHBondContact O-CD2 3.28Å; Y527-F531 PolarHBondContact O-N 3.25Å; M528-F531 WeakPolarHBondContact O-CB 3.35Å; M528-F531 PolarHBondContact O-N 3.34Å; M528-F531 VanDerWaalsContact O-N 3.15Å; Y529-F531 VanDerWaalsContact C-N 3.29Å; Y529-F531 PolarHBondContact O-N 3.44Å; F531-Y533 VanDerWaalsContact C-N 3.31Å; F531-Y533 PolarHBondContact O-N 3.25Å; F531-Y534 PolarHBondContact O-N 3.41Å; F531-F535 HydrophobicContact CD1-CE2 4.12Å; F531-F535 WeakPolarHBondContact O-CD2 3.22Å; F531-F535 PolarHBondContact O-N 3.08Å; F531-F535 VanDerWaalsContact O-N 3.08Å; F531-F550 AromaticContact CD1-CE1 3.47Å; F531-F550 HydrophobicContact CD1-CE1 3.47Å; F531-F550 VanDerWaalsContact CD1-CE1 3.47Å; F531-F550 AromaticContact CD1-CZ 3.63Å; F531-F550 HydrophobicContact CD1-CZ 3.63Å; F531-F550 AromaticContact CD2-CE1 3.95Å; F531-F550 HydrophobicContact CD2-CE1 3.95Å; F531-F550 HydrophobicContact CE1-CD1 4.11Å; F531-F550 AromaticContact CE1-CE1 3.42Å; F531-F550 HydrophobicContact CE1-CE1 3.42Å; F531-F550 VanDerWaalsContact CE1-CE1 3.42Å; F531-F550 AromaticContact CE1-CZ 3.74Å; F531-F550 HydrophobicContact CE1-CZ 3.74Å; F531-F550 HydrophobicContact CE2-CD1 4.26Å; F531-F550 AromaticContact CE2-CE1 3.9Å; F531-F550 HydrophobicContact CE2-CE1 3.9Å; F531-F550 AromaticContact CG-CE1 3.73Å; F531-F550 HydrophobicContact CG-CE1 3.73Å; F531-F550 HydrophobicContact CG-CZ 4.22Å; F531-F550 AromaticContact CZ-CD1 3.96Å; F531-F550 HydrophobicContact CZ-CD1 3.96Å; F531-F550 AromaticContact CZ-CE1 3.65Å; F531-F550 HydrophobicContact CZ-CE1 3.65Å; F531-F550 HydrophobicContact CZ-CZ 4.4Å
532	Y	93.8	Very high	93.2	Very high	103 Å²	103	61 Å²	61	40%	0.404	28%	0.282	S	S	.	.	H	α-helix	trans	-57.4	-46.5	175.3	169.4	-93.8	0	0	0	111.2	M528 Y529 Y534 F535 F536 K537	M528-Y532 PolarHBondContact O-N 3.49Å; Y529-Y532 AromaticContact CD2-CD1 3.93Å; Y529-Y532 HydrophobicContact CD2-CD1 3.93Å; Y529-Y532 AromaticContact CE2-CD1 3.63Å; Y529-Y532 HydrophobicContact CE2-CD1 3.63Å; Y529-Y532 HydrophobicContact CE2-CE1 4.09Å; Y529-Y532 WeakPolarHBondContact O-CB 3.22Å; Y529-Y532 PolarHBondContact O-N 3.43Å; Y532-Y534 PolarHBondContact O-N 3.39Å; Y532-F535 PolarHBondContact O-N 3.41Å; Y532-F536 HydrophobicContact CD2-CB 4.34Å; Y532-F536 AromaticContact CD2-CD2 3.41Å; Y532-F536 HydrophobicContact CD2-CD2 3.41Å; Y532-F536 VanDerWaalsContact CD2-CD2 3.41Å; Y532-F536 HydrophobicContact CD2-CE2 4Å; Y532-F536 HydrophobicContact CD2-CG 4.13Å; Y532-F536 HydrophobicContact CE2-CB 3.99Å; Y532-F536 AromaticContact CE2-CD2 3.69Å; Y532-F536 HydrophobicContact CE2-CD2 3.69Å; Y532-F536 HydrophobicContact CE2-CE2 4.4Å; Y532-F536 AromaticContact CE2-CG 3.94Å; Y532-F536 HydrophobicContact CE2-CG 3.94Å; Y532-F536 HydrophobicContact CG-CD2 4.19Å; Y532-F536 WeakPolarHBondContact O-CB 3.29Å; Y532-F536 WeakPolarHBondContact O-CD2 3.42Å; Y532-F536 PolarHBondContact O-N 2.99Å; Y532-K537 HydrophobicContact CE1-CG 4.45Å
533	Y	92.9	Very high	93	Very high	9 Å²	9	65.8 Å²	65.8	4%	0.035	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-44.7	179.1	-169.4	-88.1	0	0	0	111.6	Y463 F466 T467 W470 Y529 F531 K537 T538 Y549	Y463-Y533 HydrophobicContact CD2-CD2 4.22Å; Y463-Y533 AromaticContact CD2-CE2 3.82Å; Y463-Y533 HydrophobicContact CD2-CE2 3.82Å; Y463-Y533 HydrophobicContact CE2-CD2 4.46Å; Y463-Y533 AromaticContact CE2-CE2 3.83Å; Y463-Y533 HydrophobicContact CE2-CE2 3.83Å; F466-Y533 HydrophobicContact CB-CD1 4.34Å; F466-Y533 HydrophobicContact CB-CD2 4.07Å; F466-Y533 HydrophobicContact CB-CE1 4.14Å; F466-Y533 HydrophobicContact CB-CE2 3.85Å; F466-Y533 HydrophobicContact CB-CG 4.32Å; F466-Y533 HydrophobicContact CD2-CD1 4.17Å; F466-Y533 AromaticContact CD2-CD2 3.99Å; F466-Y533 HydrophobicContact CD2-CD2 3.99Å; F466-Y533 AromaticContact CD2-CG 3.76Å; F466-Y533 HydrophobicContact CD2-CG 3.76Å; T467-Y533 WeakPolarHBondContact CA-OH 3.26Å; T467-Y533 WeakPolarHBondContact CB-OH 3.37Å; T467-Y533 PolarHBondContact N-OH 3.35Å; T467-Y533 PolarHBondContact OG1-OH 2.84Å; W470-Y533 HydrophobicContact CB-CE1 4.34Å; Y529-Y533 WeakPolarHBondContact O-CB 3.22Å; Y529-Y533 PolarHBondContact O-N 3.39Å; F531-Y533 VanDerWaalsContact C-N 3.31Å; F531-Y533 PolarHBondContact O-N 3.25Å; Y533-K537 HydrophobicContact CD1-CB 4.41Å; Y533-K537 HydrophobicContact CD2-CB 3.83Å; Y533-K537 HydrophobicContact CD2-CG 3.96Å; Y533-K537 HydrophobicContact CE1-CB 4.44Å; Y533-K537 HydrophobicContact CE2-CB 3.88Å; Y533-K537 HydrophobicContact CE2-CG 4.23Å; Y533-K537 HydrophobicContact CG-CB 4.1Å; Y533-K537 WeakPolarHBondContact O-CA 3.34Å; Y533-K537 VanDerWaalsContact O-CB 3.3Å; Y533-K537 WeakPolarHBondContact O-CB 3.2Å; Y533-K537 PolarHBondContact O-N 3.24Å; Y533-T538 HydrophobicContact CD1-CG2 3.6Å; Y533-T538 HydrophobicContact CE1-CG2 3.39Å; Y533-T538 PolarHBondContact O-N 3.34Å; Y533-T538 VanDerWaalsContact O-N 3.1Å; Y533-Y549 HydrophobicContact CD1-CE2 4.46Å
534	Y	92.8	Very high	92.7	Very high	19 Å²	19	65.4 Å²	65.4	8%	0.075	30%	0.303	C	S	.	.	H	α-helix	trans	-56.8	-54.3	177.9	-174.2	-96.5	0	0	0	111.8	S530 F531 Y532 T538 M540 T546 Y549 F550	S530-Y534 WeakPolarHBondContact O-CB 3.46Å; S530-Y534 PolarHBondContact O-N 2.85Å; F531-Y534 PolarHBondContact O-N 3.41Å; Y532-Y534 PolarHBondContact O-N 3.39Å; Y534-T538 PolarHBondContact O-OG1 2.79Å; Y534-M540 HydrophobicContact CE2-CB 3.79Å; Y534-M540 PolarHBondContact OH-O 2.9Å; Y534-T546 PolarHBondContact OH-OG1 2.92Å; Y534-Y549 AromaticContact CD2-CD1 3.55Å; Y534-Y549 HydrophobicContact CD2-CD1 3.55Å; Y534-Y549 HydrophobicContact CD2-CD2 4.31Å; Y534-Y549 AromaticContact CD2-CE1 3.79Å; Y534-Y549 HydrophobicContact CD2-CE1 3.79Å; Y534-Y549 HydrophobicContact CD2-CE2 4.49Å; Y534-Y549 AromaticContact CD2-CG 3.85Å; Y534-Y549 HydrophobicContact CD2-CG 3.85Å; Y534-Y549 HydrophobicContact CE2-CD1 4.29Å; Y534-Y549 HydrophobicContact CE2-CG 4.33Å; Y534-Y549 HydrophobicContact CG-CD1 4.25Å; Y534-Y549 HydrophobicContact CG-CE1 4.13Å; Y534-F550 AromaticContact CD1-CE2 3.97Å; Y534-F550 HydrophobicContact CD1-CE2 3.97Å; Y534-F550 HydrophobicContact CD1-CZ 4.03Å; Y534-F550 HydrophobicContact CD2-CE2 4.09Å; Y534-F550 HydrophobicContact CD2-CZ 4.35Å; Y534-F550 HydrophobicContact CE1-CE2 4.22Å; Y534-F550 HydrophobicContact CE2-CE2 4.33Å; Y534-F550 AromaticContact CG-CE2 3.92Å; Y534-F550 HydrophobicContact CG-CE2 3.92Å; Y534-F550 AromaticContact CG-CZ 3.84Å; Y534-F550 HydrophobicContact CG-CZ 3.84Å
535	F	92.2	Very high	92.5	Very high	137 Å²	137	61.3 Å²	61.3	60%	0.601	28%	0.278	S	S	*	.	H	α-helix	trans	-76.5	-33.7	-173.9	-69.8	-64.4	0	0	0	114.5	F531 Y532	F531-F535 HydrophobicContact CD1-CE2 4.12Å; F531-F535 WeakPolarHBondContact O-CD2 3.22Å; F531-F535 PolarHBondContact O-N 3.08Å; F531-F535 VanDerWaalsContact O-N 3.08Å; Y532-F535 PolarHBondContact O-N 3.41Å
536	F	91.3	Very high	92.4	Very high	149 Å²	149	60.9 Å²	60.9	65%	0.654	28%	0.281	S	S	*	.	H	α-helix	trans	-108.8	-17.3	-170.6	-64.3	-78.2	0	0	0	114.5	Y532	Y532-F536 HydrophobicContact CD2-CB 4.34Å; Y532-F536 AromaticContact CD2-CD2 3.41Å; Y532-F536 HydrophobicContact CD2-CD2 3.41Å; Y532-F536 VanDerWaalsContact CD2-CD2 3.41Å; Y532-F536 HydrophobicContact CD2-CE2 4Å; Y532-F536 HydrophobicContact CD2-CG 4.13Å; Y532-F536 HydrophobicContact CE2-CB 3.99Å; Y532-F536 AromaticContact CE2-CD2 3.69Å; Y532-F536 HydrophobicContact CE2-CD2 3.69Å; Y532-F536 HydrophobicContact CE2-CE2 4.4Å; Y532-F536 AromaticContact CE2-CG 3.94Å; Y532-F536 HydrophobicContact CE2-CG 3.94Å; Y532-F536 HydrophobicContact CG-CD2 4.19Å; Y532-F536 WeakPolarHBondContact O-CB 3.29Å; Y532-F536 WeakPolarHBondContact O-CD2 3.42Å; Y532-F536 PolarHBondContact O-N 2.99Å
537	K	89.1	Confident	92.3	Very high	110 Å²	110	62.2 Å²	62.2	48%	0.478	29%	0.29	S	S	.	.	H	α-helix	trans	-115.2	-25.2	-179	-61.6	-62.2	-176.3	-178.4	0	113.5	Y463 Y532 Y533	Y463-K537 HydrophobicContact CE2-CD 4.49Å; Y532-K537 HydrophobicContact CE1-CG 4.45Å; Y533-K537 HydrophobicContact CD1-CB 4.41Å; Y533-K537 HydrophobicContact CD2-CB 3.83Å; Y533-K537 HydrophobicContact CD2-CG 3.96Å; Y533-K537 HydrophobicContact CE1-CB 4.44Å; Y533-K537 HydrophobicContact CE2-CB 3.88Å; Y533-K537 HydrophobicContact CE2-CG 4.23Å; Y533-K537 HydrophobicContact CG-CB 4.1Å; Y533-K537 WeakPolarHBondContact O-CA 3.34Å; Y533-K537 VanDerWaalsContact O-CB 3.3Å; Y533-K537 WeakPolarHBondContact O-CB 3.2Å; Y533-K537 PolarHBondContact O-N 3.24Å
538	T	88.3	Confident	92.1	Very high	23 Å²	23	59.5 Å²	59.5	14%	0.141	28%	0.28	C	S	.	.			trans	-103.5	156.8	176.9	81.8	0	0	0	0	112	Y533 Y534 M540	Y533-T538 HydrophobicContact CD1-CG2 3.6Å; Y533-T538 HydrophobicContact CE1-CG2 3.39Å; Y533-T538 PolarHBondContact O-N 3.34Å; Y533-T538 VanDerWaalsContact O-N 3.1Å; Y534-T538 PolarHBondContact O-OG1 2.79Å; T538-M540 HydrophobicContact CG2-CE 4.22Å; T538-M540 HydrophobicContact CG2-SD 4.21Å
539	K	87.8	Confident	92.1	Very high	159 Å²	159	54.8 Å²	54.8	69%	0.691	26%	0.257	S	S	*	.			trans	-107.2	24.7	169.7	-64.1	-174.6	177.3	-176	0	111.3
540	M	89.8	Confident	92.1	Very high	21 Å²	21	55.5 Å²	55.5	10%	0.103	26%	0.26	C	S	.	.			trans	-71.7	141.2	-176.5	-69.6	175.4	-174.4	0	0	110.6	W470 Y534 T538 Q545 Y549	W470-M540 HydrophobicContact CB-CE 3.82Å; W470-M540 HydrophobicContact CE3-CE 4.48Å; W470-M540 VanDerWaalsContact O-CE 3.27Å; W470-M540 WeakPolarHBondContact O-CE 3.43Å; Y534-M540 HydrophobicContact CE2-CB 3.79Å; Y534-M540 PolarHBondContact OH-O 2.9Å; T538-M540 HydrophobicContact CG2-CE 4.22Å; T538-M540 HydrophobicContact CG2-SD 4.21Å; M540-Q545 HydrophobicContact CB-CG 3.75Å; M540-Q545 HydrophobicContact CG-CG 3.89Å; M540-Q545 HydrophobicContact SD-CG 4.1Å; M540-Q545 PolarHBondContact SD-NE2 3.47Å; M540-Y549 HydrophobicContact SD-CD2 4.25Å
541	Y	90.1	Very high	92.2	Very high	103 Å²	103	56.2 Å²	56.2	40%	0.404	27%	0.268	S	S	.	.			trans	-145.6	174.6	176.8	62.6	-92.8	0	0	0	110.7	H49 N50 Q545	H49-Y541 HydrophobicContact CB-CD1 4.46Å; H49-Y541 HydrophobicContact CB-CE1 3.94Å; N50-Y541 WeakPolarHBondContact ND2-CD2 3Å; N50-Y541 VanDerWaalsContact ND2-CE2 3.3Å; N50-Y541 WeakPolarHBondContact ND2-CE2 3.34Å; N50-Y541 PolarHBondContact ND2-O 2.9Å; N50-Y541 PolarHBondContact OD1-N 3.45Å; N50-Y541 PolarHBondContact OD1-O 2.98Å; N50-Y541 VanDerWaalsContact OD1-O 3.13Å; Y541-Q545 WeakPolarHBondContact O-CB 3.14Å
542	G	90.3	Very high	92.1	Very high	33 Å²	33	55.9 Å²	55.9	34%	0.34	27%	0.265	S	S	.	.	S	Bend	trans	85.3	152.4	176.7	0	0	0	0	0	113.7	T546	G542-T546 VanDerWaalsContact O-CB 3.28Å; G542-T546 WeakPolarHBondContact O-CB 3.25Å; G542-T546 PolarHBondContact O-N 3.29Å; G542-T546 PolarHBondContact O-OG1 3.29Å
543	L	91.6	Very high	92.2	Very high	100 Å²	100	51.1 Å²	51.1	52%	0.524	25%	0.247	S	C	.	.	H	α-helix	trans	-66.9	-41.1	-170.2	-177.3	144.5	0	0	0	112.3	I377 Y381 S547	I377-L543 HydrophobicContact CD1-CD2 4.02Å; I377-L543 HydrophobicContact CG1-CD2 4.38Å; I377-L543 HydrophobicContact CG2-CD2 3.48Å; I377-L543 VanDerWaalsContact CG2-CD2 3.48Å; Y381-L543 HydrophobicContact CE2-CD2 4.36Å; L543-S547 VanDerWaalsContact O-CB 3.27Å; L543-S547 WeakPolarHBondContact O-CB 3.3Å; L543-S547 PolarHBondContact O-N 2.93Å; L543-S547 PolarHBondContact O-OG 3.24Å
544	F	91.9	Very high	92.3	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-55.9	-179.8	-178.9	-109.8	0	0	0	111.8	Q52 E53 I374 I377 A378 Y381 A383 R385 T546 S547 F548	Q52-F544 WeakPolarHBondContact O-CE1 3.31Å; E53-F544 HydrophobicContact CB-CD1 3.83Å; E53-F544 HydrophobicContact CB-CE1 4.35Å; E53-F544 HydrophobicContact CG-CD1 3.86Å; I374-F544 HydrophobicContact CG2-CE2 4.29Å; I377-F544 HydrophobicContact CB-CD2 4.17Å; I377-F544 HydrophobicContact CG2-CB 4.2Å; I377-F544 HydrophobicContact CG2-CD2 3.72Å; I377-F544 HydrophobicContact CG2-CG 4.46Å; A378-F544 VanDerWaalsContact CA-CE2 3.49Å; A378-F544 HydrophobicContact CB-CE2 3.57Å; A378-F544 HydrophobicContact CB-CZ 4.02Å; Y381-F544 HydrophobicContact CD2-CB 4.16Å; Y381-F544 HydrophobicContact CE2-CB 4.18Å; Y381-F544 HydrophobicContact CG-CB 4.41Å; A383-F544 HydrophobicContact CB-CE1 4.45Å; A383-F544 HydrophobicContact CB-CZ 4.34Å; R385-F544 HydrophobicContact CB-CZ 4.49Å; F544-T546 VanDerWaalsContact C-N 3.33Å; F544-T546 PolarHBondContact O-N 3.47Å; F544-S547 PolarHBondContact O-N 2.8Å; F544-F548 HydrophobicContact CZ-CD2 4.41Å; F544-F548 VanDerWaalsContact O-CB 3.29Å; F544-F548 WeakPolarHBondContact O-CB 3.26Å; F544-F548 PolarHBondContact O-N 2.94Å
545	Q	91.8	Very high	92.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-43.2	178.1	-176.9	71.4	42.9	0	0	112.3	N50 M540 Y541 F548 Y549	N50-Q545 VanDerWaalsContact CA-OE1 3.24Å; N50-Q545 HydrophobicContact CB-CB 4.05Å; N50-Q545 HydrophobicContact CB-CG 4Å; N50-Q545 PolarHBondContact O-OE1 3.47Å; M540-Q545 HydrophobicContact CB-CG 3.75Å; M540-Q545 HydrophobicContact CG-CG 3.89Å; M540-Q545 HydrophobicContact SD-CG 4.1Å; M540-Q545 PolarHBondContact SD-NE2 3.47Å; Y541-Q545 WeakPolarHBondContact O-CB 3.14Å; Q545-F548 PolarHBondContact O-N 3.39Å; Q545-Y549 WeakPolarHBondContact O-CB 3.28Å; Q545-Y549 PolarHBondContact O-N 3.49Å
546	T	93.6	Very high	92.7	Very high	42 Å²	42	48.7 Å²	48.7	26%	0.258	24%	0.243	S	C	.	.	H	α-helix	trans	-63.6	-48.2	179.2	-54	0	0	0	0	111.2	Y534 G542 F544 F548 Y549 F550	Y534-T546 PolarHBondContact OH-OG1 2.92Å; G542-T546 VanDerWaalsContact O-CB 3.28Å; G542-T546 WeakPolarHBondContact O-CB 3.25Å; G542-T546 PolarHBondContact O-N 3.29Å; G542-T546 PolarHBondContact O-OG1 3.29Å; F544-T546 VanDerWaalsContact C-N 3.33Å; F544-T546 PolarHBondContact O-N 3.47Å; T546-F548 VanDerWaalsContact C-N 3.33Å; T546-F548 PolarHBondContact O-N 2.72Å; T546-Y549 PolarHBondContact O-N 2.82Å; T546-F550 HydrophobicContact CG2-CD2 3.71Å; T546-F550 HydrophobicContact CG2-CE2 3.89Å; T546-F550 WeakPolarHBondContact O-CD2 3.49Å; T546-F550 PolarHBondContact O-N 2.68Å
547	S	94.4	Very high	92.9	Very high	28 Å²	28	41.9 Å²	41.9	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-38.9	-179.8	-56.1	0	0	0	0	111.5	L543 F544 G551	L543-S547 VanDerWaalsContact O-CB 3.27Å; L543-S547 WeakPolarHBondContact O-CB 3.3Å; L543-S547 PolarHBondContact O-N 2.93Å; L543-S547 PolarHBondContact O-OG 3.24Å; F544-S547 PolarHBondContact O-N 2.8Å; S547-G551 WeakPolarHBondContact O-CA 3.41Å; S547-G551 PolarHBondContact O-N 2.87Å
548	F	93.1	Very high	93.3	Very high	17 Å²	17	39.2 Å²	39.2	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-52.1	174.5	-168.3	-79.9	0	0	0	110.8	Q52 I374 R385 W470 F544 Q545 T546 Y552	Q52-F548 HydrophobicContact CB-CD1 4.06Å; Q52-F548 HydrophobicContact CB-CE1 4.4Å; Q52-F548 HydrophobicContact CB-CG 4.4Å; Q52-F548 HydrophobicContact CG-CD1 4.12Å; Q52-F548 HydrophobicContact CG-CE1 4.22Å; I374-F548 HydrophobicContact CG2-CB 4.49Å; I374-F548 HydrophobicContact CG2-CD2 3.53Å; I374-F548 HydrophobicContact CG2-CE2 4.16Å; I374-F548 HydrophobicContact CG2-CG 4.41Å; R385-F548 VanDerWaalsContact NH1-CD2 3.3Å; W470-F548 AromaticContact CH2-CD1 3.92Å; W470-F548 HydrophobicContact CH2-CD1 3.92Å; W470-F548 HydrophobicContact CH2-CE1 4.01Å; W470-F548 AromaticContact CZ3-CD1 3.72Å; W470-F548 HydrophobicContact CZ3-CD1 3.72Å; W470-F548 AromaticContact CZ3-CE1 3.85Å; W470-F548 HydrophobicContact CZ3-CE1 3.85Å; F544-F548 HydrophobicContact CZ-CD2 4.41Å; F544-F548 VanDerWaalsContact O-CB 3.29Å; F544-F548 WeakPolarHBondContact O-CB 3.26Å; F544-F548 PolarHBondContact O-N 2.94Å; Q545-F548 PolarHBondContact O-N 3.39Å; T546-F548 VanDerWaalsContact C-N 3.33Å; T546-F548 PolarHBondContact O-N 2.72Å; F548-Y552 AromaticContact CD1-CD2 3.78Å; F548-Y552 HydrophobicContact CD1-CD2 3.78Å; F548-Y552 HydrophobicContact CD1-CE2 4.23Å; F548-Y552 HydrophobicContact CD2-CD2 4.05Å; F548-Y552 AromaticContact CD2-CE2 3.72Å; F548-Y552 HydrophobicContact CD2-CE2 3.72Å; F548-Y552 AromaticContact CE1-CD2 3.55Å; F548-Y552 HydrophobicContact CE1-CD2 3.55Å; F548-Y552 AromaticContact CE1-CE2 3.83Å; F548-Y552 HydrophobicContact CE1-CE2 3.83Å; F548-Y552 HydrophobicContact CE1-CG 4.39Å; F548-Y552 AromaticContact CE2-CD2 3.78Å; F548-Y552 HydrophobicContact CE2-CD2 3.78Å; F548-Y552 AromaticContact CE2-CE2 3.2Å; F548-Y552 HydrophobicContact CE2-CE2 3.2Å; F548-Y552 HydrophobicContact CG-CD2 4.02Å; F548-Y552 HydrophobicContact CG-CE2 4.17Å; F548-Y552 AromaticContact CZ-CD2 3.53Å; F548-Y552 HydrophobicContact CZ-CD2 3.53Å; F548-Y552 AromaticContact CZ-CE2 3.27Å; F548-Y552 HydrophobicContact CZ-CE2 3.27Å; F548-Y552 VanDerWaalsContact O-CD2 3.31Å; F548-Y552 WeakPolarHBondContact O-CD2 3.38Å; F548-Y552 PolarHBondContact O-N 3.26Å; F548-Y552 VanDerWaalsContact O-N 3.08Å
549	Y	94.5	Very high	93.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-59.5	179.5	178.7	-90	0	0	0	111.8	W470 S530 Y533 Y534 M540 Q545 T546 G551 Y552 M553	W470-Y549 AromaticContact CD1-CE2 3.52Å; W470-Y549 AromaticContact CD2-CD2 3.46Å; W470-Y549 HydrophobicContact CD2-CD2 3.46Å; W470-Y549 VanDerWaalsContact CD2-CD2 3.46Å; W470-Y549 AromaticContact CD2-CE2 3.71Å; W470-Y549 HydrophobicContact CD2-CE2 3.71Å; W470-Y549 AromaticContact CE2-CD2 3.39Å; W470-Y549 AromaticContact CE2-CE2 3.53Å; W470-Y549 AromaticContact CE3-CD2 3.81Å; W470-Y549 HydrophobicContact CE3-CD2 3.81Å; W470-Y549 HydrophobicContact CE3-CE2 4.49Å; W470-Y549 AromaticContact CG-CD2 3.93Å; W470-Y549 HydrophobicContact CG-CD2 3.93Å; W470-Y549 AromaticContact CG-CE2 3.71Å; W470-Y549 HydrophobicContact CG-CE2 3.71Å; W470-Y549 HydrophobicContact CH2-CD2 4.08Å; W470-Y549 AromaticContact CZ2-CD2 3.72Å; W470-Y549 HydrophobicContact CZ2-CD2 3.72Å; W470-Y549 HydrophobicContact CZ2-CE2 4.19Å; W470-Y549 HydrophobicContact CZ2-CG 4.35Å; W470-Y549 HydrophobicContact CZ3-CD2 4.11Å; W470-Y549 AromaticContact NE1-CD2 3.79Å; W470-Y549 AromaticContact NE1-CE2 3.39Å; S530-Y549 WeakPolarHBondContact O-CE1 3.23Å; S530-Y549 PolarHBondContact O-OH 2.97Å; Y533-Y549 HydrophobicContact CD1-CE2 4.46Å; Y534-Y549 AromaticContact CD2-CD1 3.55Å; Y534-Y549 HydrophobicContact CD2-CD1 3.55Å; Y534-Y549 HydrophobicContact CD2-CD2 4.31Å; Y534-Y549 AromaticContact CD2-CE1 3.79Å; Y534-Y549 HydrophobicContact CD2-CE1 3.79Å; Y534-Y549 HydrophobicContact CD2-CE2 4.49Å; Y534-Y549 AromaticContact CD2-CG 3.85Å; Y534-Y549 HydrophobicContact CD2-CG 3.85Å; Y534-Y549 HydrophobicContact CE2-CD1 4.29Å; Y534-Y549 HydrophobicContact CE2-CG 4.33Å; Y534-Y549 HydrophobicContact CG-CD1 4.25Å; Y534-Y549 HydrophobicContact CG-CE1 4.13Å; M540-Y549 HydrophobicContact SD-CD2 4.25Å; Q545-Y549 WeakPolarHBondContact O-CB 3.28Å; Q545-Y549 PolarHBondContact O-N 3.49Å; T546-Y549 PolarHBondContact O-N 2.82Å; Y549-G551 PolarHBondContact O-N 3.07Å; Y549-Y552 PolarHBondContact O-N 2.94Å; Y549-M553 HydrophobicContact CD1-CG 4.2Å; Y549-M553 HydrophobicContact CD2-CG 4.44Å; Y549-M553 HydrophobicContact CE1-CG 3.93Å; Y549-M553 HydrophobicContact CE2-CG 4.2Å; Y549-M553 HydrophobicContact CG-CG 4.44Å; Y549-M553 VanDerWaalsContact O-CB 3.29Å; Y549-M553 WeakPolarHBondContact O-CB 3.12Å; Y549-M553 WeakPolarHBondContact O-CG 3.48Å; Y549-M553 PolarHBondContact O-N 2.8Å
550	F	95.8	Very high	94.1	Very high	30 Å²	30	32.4 Å²	32.4	13%	0.132	18%	0.182	C	C	.	.	H	α-helix	trans	-68.4	-34	-175.3	-76.1	-70.1	0	0	0	112.9	F531 Y534 T546 M553 A554	F531-F550 AromaticContact CD1-CE1 3.47Å; F531-F550 HydrophobicContact CD1-CE1 3.47Å; F531-F550 VanDerWaalsContact CD1-CE1 3.47Å; F531-F550 AromaticContact CD1-CZ 3.63Å; F531-F550 HydrophobicContact CD1-CZ 3.63Å; F531-F550 AromaticContact CD2-CE1 3.95Å; F531-F550 HydrophobicContact CD2-CE1 3.95Å; F531-F550 HydrophobicContact CE1-CD1 4.11Å; F531-F550 AromaticContact CE1-CE1 3.42Å; F531-F550 HydrophobicContact CE1-CE1 3.42Å; F531-F550 VanDerWaalsContact CE1-CE1 3.42Å; F531-F550 AromaticContact CE1-CZ 3.74Å; F531-F550 HydrophobicContact CE1-CZ 3.74Å; F531-F550 HydrophobicContact CE2-CD1 4.26Å; F531-F550 AromaticContact CE2-CE1 3.9Å; F531-F550 HydrophobicContact CE2-CE1 3.9Å; F531-F550 AromaticContact CG-CE1 3.73Å; F531-F550 HydrophobicContact CG-CE1 3.73Å; F531-F550 HydrophobicContact CG-CZ 4.22Å; F531-F550 AromaticContact CZ-CD1 3.96Å; F531-F550 HydrophobicContact CZ-CD1 3.96Å; F531-F550 AromaticContact CZ-CE1 3.65Å; F531-F550 HydrophobicContact CZ-CE1 3.65Å; F531-F550 HydrophobicContact CZ-CZ 4.4Å; Y534-F550 AromaticContact CD1-CE2 3.97Å; Y534-F550 HydrophobicContact CD1-CE2 3.97Å; Y534-F550 HydrophobicContact CD1-CZ 4.03Å; Y534-F550 HydrophobicContact CD2-CE2 4.09Å; Y534-F550 HydrophobicContact CD2-CZ 4.35Å; Y534-F550 HydrophobicContact CE1-CE2 4.22Å; Y534-F550 HydrophobicContact CE2-CE2 4.33Å; Y534-F550 AromaticContact CG-CE2 3.92Å; Y534-F550 HydrophobicContact CG-CE2 3.92Å; Y534-F550 AromaticContact CG-CZ 3.84Å; Y534-F550 HydrophobicContact CG-CZ 3.84Å; T546-F550 HydrophobicContact CG2-CD2 3.71Å; T546-F550 HydrophobicContact CG2-CE2 3.89Å; T546-F550 WeakPolarHBondContact O-CD2 3.49Å; T546-F550 PolarHBondContact O-N 2.68Å; F550-M553 PolarHBondContact O-N 2.72Å; F550-A554 VanDerWaalsContact O-CB 3.3Å; F550-A554 WeakPolarHBondContact O-CB 3.49Å; F550-A554 PolarHBondContact O-N 3.49Å
551	G	95.4	Very high	94.5	Very high	16 Å²	16	31.7 Å²	31.7	17%	0.165	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-52.9	176	0	0	0	0	0	112.1	S547 Y549 A554 V555	S547-G551 WeakPolarHBondContact O-CA 3.41Å; S547-G551 PolarHBondContact O-N 2.87Å; Y549-G551 PolarHBondContact O-N 3.07Å; G551-A554 PolarHBondContact O-N 3.08Å; G551-V555 PolarHBondContact O-N 3.14Å; G551-V555 VanDerWaalsContact O-N 3.12Å
552	Y	93.9	Very high	94.9	Very high	73 Å²	73	27.8 Å²	27.8	29%	0.286	17%	0.165	S	C	.	.	H	α-helix	trans	-69.4	-33.1	177.9	-78.7	-78.1	0	0	0	112.5	I374 F548 Y549 A554 V555 F556	I374-Y552 HydrophobicContact CD1-CD2 3.56Å; I374-Y552 HydrophobicContact CD1-CE2 3.37Å; F548-Y552 AromaticContact CD1-CD2 3.78Å; F548-Y552 HydrophobicContact CD1-CD2 3.78Å; F548-Y552 HydrophobicContact CD1-CE2 4.23Å; F548-Y552 HydrophobicContact CD2-CD2 4.05Å; F548-Y552 AromaticContact CD2-CE2 3.72Å; F548-Y552 HydrophobicContact CD2-CE2 3.72Å; F548-Y552 AromaticContact CE1-CD2 3.55Å; F548-Y552 HydrophobicContact CE1-CD2 3.55Å; F548-Y552 AromaticContact CE1-CE2 3.83Å; F548-Y552 HydrophobicContact CE1-CE2 3.83Å; F548-Y552 HydrophobicContact CE1-CG 4.39Å; F548-Y552 AromaticContact CE2-CD2 3.78Å; F548-Y552 HydrophobicContact CE2-CD2 3.78Å; F548-Y552 AromaticContact CE2-CE2 3.2Å; F548-Y552 HydrophobicContact CE2-CE2 3.2Å; F548-Y552 HydrophobicContact CG-CD2 4.02Å; F548-Y552 HydrophobicContact CG-CE2 4.17Å; F548-Y552 AromaticContact CZ-CD2 3.53Å; F548-Y552 HydrophobicContact CZ-CD2 3.53Å; F548-Y552 AromaticContact CZ-CE2 3.27Å; F548-Y552 HydrophobicContact CZ-CE2 3.27Å; F548-Y552 VanDerWaalsContact O-CD2 3.31Å; F548-Y552 WeakPolarHBondContact O-CD2 3.38Å; F548-Y552 PolarHBondContact O-N 3.26Å; F548-Y552 VanDerWaalsContact O-N 3.08Å; Y549-Y552 PolarHBondContact O-N 2.94Å; Y552-A554 VanDerWaalsContact C-N 3.32Å; Y552-A554 PolarHBondContact O-N 3.04Å; Y552-V555 PolarHBondContact O-N 3.18Å; Y552-F556 WeakPolarHBondContact O-CB 3.31Å; Y552-F556 PolarHBondContact O-N 3.31Å
553	M	95.3	Very high	95.2	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.02	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-33.8	173.3	-73.4	-47.4	-50	0	0	112.9	F466 W470 Y527 Y549 F550 F556 S557	F466-M553 HydrophobicContact CD1-CE 4.25Å; F466-M553 HydrophobicContact CE1-CE 3.33Å; F466-M553 HydrophobicContact CE1-SD 4.26Å; F466-M553 HydrophobicContact CE2-CE 3.99Å; F466-M553 HydrophobicContact CZ-CE 3.19Å; F466-M553 HydrophobicContact CZ-SD 4.36Å; W470-M553 HydrophobicContact CZ2-CG 3.89Å; W470-M553 HydrophobicContact CZ2-SD 3.76Å; W470-M553 PolarHBondContact NE1-SD 3.13Å; Y527-M553 HydrophobicContact CD2-CB 4.37Å; Y527-M553 HydrophobicContact CE2-CB 4.19Å; Y549-M553 HydrophobicContact CD1-CG 4.2Å; Y549-M553 HydrophobicContact CD2-CG 4.44Å; Y549-M553 HydrophobicContact CE1-CG 3.93Å; Y549-M553 HydrophobicContact CE2-CG 4.2Å; Y549-M553 HydrophobicContact CG-CG 4.44Å; Y549-M553 VanDerWaalsContact O-CB 3.29Å; Y549-M553 WeakPolarHBondContact O-CB 3.12Å; Y549-M553 WeakPolarHBondContact O-CG 3.48Å; Y549-M553 PolarHBondContact O-N 2.8Å; F550-M553 PolarHBondContact O-N 2.72Å; M553-F556 HydrophobicContact CE-CD1 3.79Å; M553-F556 HydrophobicContact CE-CE1 4.46Å; M553-F556 HydrophobicContact CE-CG 4.48Å; M553-S557 VanDerWaalsContact O-CB 3.24Å; M553-S557 WeakPolarHBondContact O-CB 3.4Å; M553-S557 PolarHBondContact O-N 3.41Å; M553-S557 PolarHBondContact O-OG 2.7Å
554	A	96.3	Very high	95.5	Very high	30 Å²	30	22.1 Å²	22.1	25%	0.248	13%	0.128	C	C	.	.	H	α-helix	trans	-68.3	-41.8	174	0	0	0	0	0	111.2	Y527 F550 G551 Y552 S558	Y527-A554 HydrophobicContact CE2-CB 3.86Å; F550-A554 VanDerWaalsContact O-CB 3.3Å; F550-A554 WeakPolarHBondContact O-CB 3.49Å; F550-A554 PolarHBondContact O-N 3.49Å; G551-A554 PolarHBondContact O-N 3.08Å; Y552-A554 VanDerWaalsContact C-N 3.32Å; Y552-A554 PolarHBondContact O-N 3.04Å; A554-S558 WeakPolarHBondContact O-CB 3.44Å; A554-S558 PolarHBondContact O-N 3.42Å; A554-S558 PolarHBondContact O-OG 2.89Å
555	V	96.5	Very high	95.8	Very high	16 Å²	16	22 Å²	22	10%	0.097	13%	0.127	C	C	.	.	H	α-helix	trans	-63.3	-46.9	174.5	171	0	0	0	0	111.2	M366 V367 T370 G551 Y552 S558 S559	M366-V555 HydrophobicContact CE-CG1 4.37Å; V367-V555 HydrophobicContact CG2-CG1 3.9Å; T370-V555 HydrophobicContact CG2-CG2 3.84Å; T370-V555 WeakPolarHBondContact OG1-CG2 3.43Å; G551-V555 PolarHBondContact O-N 3.14Å; G551-V555 VanDerWaalsContact O-N 3.12Å; Y552-V555 PolarHBondContact O-N 3.18Å; V555-S558 PolarHBondContact O-N 3.49Å; V555-S559 WeakPolarHBondContact O-CB 3.29Å; V555-S559 PolarHBondContact O-N 3.06Å; V555-S559 PolarHBondContact O-OG 2.97Å
556	F	95.5	Very high	96.1	Very high	68 Å²	68	22.1 Å²	22.1	30%	0.298	13%	0.128	S	C	.	.	H	α-helix	trans	-59	-51.8	177.1	174.8	-98.3	0	0	0	111.4	M462 F466 V526 Y552 M553 S558 S559 L560	M462-F556 HydrophobicContact CE-CE1 3.8Å; M462-F556 HydrophobicContact CE-CZ 4.03Å; M462-F556 HydrophobicContact SD-CE1 3.69Å; M462-F556 HydrophobicContact SD-CZ 3.92Å; F466-F556 HydrophobicContact CE1-CE1 4.19Å; V526-F556 HydrophobicContact CG1-CD1 4.37Å; V526-F556 HydrophobicContact CG1-CE1 4.01Å; Y552-F556 WeakPolarHBondContact O-CB 3.31Å; Y552-F556 PolarHBondContact O-N 3.31Å; M553-F556 HydrophobicContact CE-CD1 3.79Å; M553-F556 HydrophobicContact CE-CE1 4.46Å; M553-F556 HydrophobicContact CE-CG 4.48Å; F556-S558 PolarHBondContact O-N 3.1Å; F556-S559 PolarHBondContact O-N 3.46Å; F556-L560 WeakPolarHBondContact O-CB 3.39Å; F556-L560 PolarHBondContact O-N 3.34Å
557	S	96.4	Very high	96.3	Very high	5 Å²	5	21.3 Å²	21.3	4%	0.035	12%	0.123	C	C	.	.	H	α-helix	trans	-63.1	-44.9	180	-56.4	0	0	0	0	111.2	A523 M553 S559 L560 G561	A523-S557 WeakPolarHBondContact CB-O 3.13Å; M553-S557 VanDerWaalsContact O-CB 3.24Å; M553-S557 WeakPolarHBondContact O-CB 3.4Å; M553-S557 PolarHBondContact O-N 3.41Å; M553-S557 PolarHBondContact O-OG 2.7Å; S557-S559 VanDerWaalsContact C-N 3.33Å; S557-S559 PolarHBondContact O-N 3.44Å; S557-L560 PolarHBondContact O-N 3.4Å; S557-G561 PolarHBondContact O-N 2.96Å
558	S	96.9	Very high	96.4	Very high	55 Å²	55	20 Å²	20	39%	0.385	11%	0.114	S	C	.	.	H	α-helix	trans	-61.2	-42.1	178.1	-59.3	0	0	0	0	111.8	A554 V555 F556 G561 I562	A554-S558 WeakPolarHBondContact O-CB 3.44Å; A554-S558 PolarHBondContact O-N 3.42Å; A554-S558 PolarHBondContact O-OG 2.89Å; V555-S558 PolarHBondContact O-N 3.49Å; F556-S558 PolarHBondContact O-N 3.1Å; S558-G561 PolarHBondContact O-N 3.42Å; S558-I562 VanDerWaalsContact O-CG1 3.27Å; S558-I562 WeakPolarHBondContact O-CG1 3.49Å; S558-I562 PolarHBondContact O-N 2.96Å
559	S	96.8	Very high	96.6	Very high	22 Å²	22	19.9 Å²	19.9	15%	0.154	11%	0.113	C	C	.	.	H	α-helix	trans	-64.5	-43.8	177.2	-56.1	0	0	0	0	111.8	V555 F556 S557 G561 I562 M563	V555-S559 WeakPolarHBondContact O-CB 3.29Å; V555-S559 PolarHBondContact O-N 3.06Å; V555-S559 PolarHBondContact O-OG 2.97Å; F556-S559 PolarHBondContact O-N 3.46Å; S557-S559 VanDerWaalsContact C-N 3.33Å; S557-S559 PolarHBondContact O-N 3.44Å; S559-G561 VanDerWaalsContact C-N 3.32Å; S559-G561 PolarHBondContact O-N 3.01Å; S559-I562 PolarHBondContact O-N 3.03Å; S559-M563 WeakPolarHBondContact O-CB 3.36Å; S559-M563 PolarHBondContact O-N 3.22Å
560	L	96.6	Very high	96.7	Very high	17 Å²	17	23.1 Å²	23.1	9%	0.089	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-41.9	173.1	179	62.7	0	0	0	111.5	I458 M462 L488 V526 F556 S557 M563 C564	I458-L560 HydrophobicContact CD1-CD2 4.48Å; M462-L560 HydrophobicContact CE-CD2 3.97Å; L488-L560 HydrophobicContact CD2-CD1 4.01Å; V526-L560 HydrophobicContact CB-CD2 4.33Å; V526-L560 HydrophobicContact CG1-CD2 4.31Å; V526-L560 HydrophobicContact CG2-CD2 3.82Å; F556-L560 WeakPolarHBondContact O-CB 3.39Å; F556-L560 PolarHBondContact O-N 3.34Å; S557-L560 PolarHBondContact O-N 3.4Å; L560-M563 HydrophobicContact CD1-CE 3.55Å; L560-M563 PolarHBondContact O-N 2.86Å; L560-C564 WeakPolarHBondContact O-CB 3.08Å; L560-C564 PolarHBondContact O-N 3.04Å; L560-C564 PolarHBondContact O-SG 3.42Å
561	G	97.6	Very high	96.7	Very high	6 Å²	6	22.5 Å²	22.5	6%	0.062	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-43.2	178.8	0	0	0	0	0	112.5	A520 S557 S558 S559 G565	A520-G561 WeakPolarHBondContact CA-O 3.48Å; A520-G561 VanDerWaalsContact CB-O 3.25Å; A520-G561 WeakPolarHBondContact CB-O 3.48Å; S557-G561 PolarHBondContact O-N 2.96Å; S558-G561 PolarHBondContact O-N 3.42Å; S559-G561 VanDerWaalsContact C-N 3.32Å; S559-G561 PolarHBondContact O-N 3.01Å; G561-G565 PolarHBondContact O-N 3.33Å
562	I	98.3	Very high	96.7	Very high	20 Å²	20	21.7 Å²	21.7	10%	0.103	13%	0.127	C	C	.	.	H	α-helix	trans	-65.1	-41.3	176	-66.2	169.2	0	0	0	110.6	L291 G295 I298 I363 S558 S559 A566	L291-I562 HydrophobicContact CD2-CD1 4.05Å; L291-I562 HydrophobicContact CD2-CG1 4.02Å; L291-I562 WeakPolarHBondContact O-CG2 3.44Å; G295-I562 WeakPolarHBondContact CA-O 3.45Å; I298-I562 HydrophobicContact CD1-CB 4.33Å; I298-I562 HydrophobicContact CD1-CG2 4.16Å; I363-I562 HydrophobicContact CD1-CD1 3.6Å; S558-I562 VanDerWaalsContact O-CG1 3.27Å; S558-I562 WeakPolarHBondContact O-CG1 3.49Å; S558-I562 PolarHBondContact O-N 2.96Å; S559-I562 PolarHBondContact O-N 3.03Å; I562-A566 WeakPolarHBondContact O-CB 3.27Å; I562-A566 PolarHBondContact O-N 3.47Å
563	M	97.9	Very high	96.7	Very high	12 Å²	12	19.6 Å²	19.6	6%	0.059	12%	0.123	C	C	.	.	H	α-helix	trans	-61.5	-55.7	175.1	-174.6	-178	65.4	0	0	111.8	I298 F299 L485 L488 S559 L560 G565 A566 V567	I298-M563 HydrophobicContact CB-CB 4.37Å; I298-M563 HydrophobicContact CG2-CB 3.9Å; I298-M563 HydrophobicContact CG2-CG 4.28Å; I298-M563 HydrophobicContact CG2-SD 4.22Å; F299-M563 HydrophobicContact CB-CG 3.86Å; F299-M563 HydrophobicContact CB-SD 4.27Å; F299-M563 HydrophobicContact CD2-CG 4.33Å; F299-M563 HydrophobicContact CD2-SD 4.18Å; L485-M563 HydrophobicContact CD1-CE 4.08Å; L485-M563 HydrophobicContact CD1-SD 4.29Å; L488-M563 HydrophobicContact CD2-CE 4.39Å; S559-M563 WeakPolarHBondContact O-CB 3.36Å; S559-M563 PolarHBondContact O-N 3.22Å; L560-M563 HydrophobicContact CD1-CE 3.55Å; L560-M563 PolarHBondContact O-N 2.86Å; M563-G565 VanDerWaalsContact C-N 3.31Å; M563-G565 PolarHBondContact O-N 2.77Å; M563-A566 PolarHBondContact O-N 3.11Å; M563-V567 WeakPolarHBondContact O-CG2 3.46Å; M563-V567 PolarHBondContact O-N 3.02Å
564	C	97.9	Very high	96.5	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-59.4	-43.2	178.6	-71.2	0	0	0	0	111.3	T492 A519 L560 A566 V567 G568	T492-C564 HydrophobicContact CG2-CB 4.21Å; A519-C564 HydrophobicContact CB-CB 4.26Å; A519-C564 WeakPolarHBondContact CB-O 3.45Å; A519-C564 WeakPolarHBondContact O-CB 3.48Å; L560-C564 WeakPolarHBondContact O-CB 3.08Å; L560-C564 PolarHBondContact O-N 3.04Å; L560-C564 PolarHBondContact O-SG 3.42Å; C564-A566 PolarHBondContact O-N 3.35Å; C564-V567 PolarHBondContact O-N 3.47Å; C564-G568 PolarHBondContact O-N 3.1Å
565	G	97.8	Very high	96.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-43.2	177.4	0	0	0	0	0	112.8	F516 G561 M563 Y569	F516-G565 WeakPolarHBondContact CD2-O 3.23Å; F516-G565 VanDerWaalsContact O-CA 3.26Å; F516-G565 WeakPolarHBondContact O-CA 3.36Å; G561-G565 PolarHBondContact O-N 3.33Å; M563-G565 VanDerWaalsContact C-N 3.31Å; M563-G565 PolarHBondContact O-N 2.77Å; G565-Y569 WeakPolarHBondContact O-CB 2.95Å; G565-Y569 PolarHBondContact O-N 3.44Å
566	A	98.1	Very high	96	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-66.2	-45.5	176.3	0	0	0	0	0	112.2	I292 I562 M563 C564 G568 Y569 V570	I292-A566 HydrophobicContact CD1-CB 4.37Å; I562-A566 WeakPolarHBondContact O-CB 3.27Å; I562-A566 PolarHBondContact O-N 3.47Å; M563-A566 PolarHBondContact O-N 3.11Å; C564-A566 PolarHBondContact O-N 3.35Å; A566-G568 VanDerWaalsContact C-N 3.35Å; A566-G568 PolarHBondContact O-N 3.26Å; A566-Y569 PolarHBondContact O-N 3.49Å; A566-V570 WeakPolarHBondContact O-CB 3.19Å; A566-V570 VanDerWaalsContact O-CG2 3.26Å; A566-V570 WeakPolarHBondContact O-CG2 3.11Å; A566-V570 PolarHBondContact O-N 3.37Å
567	V	97.8	Very high	95.7	Very high	26 Å²	26	23.2 Å²	23.2	16%	0.158	14%	0.14	C	C	.	.	H	α-helix	trans	-59.1	-46.9	176.3	170.5	0	0	0	0	111	F299 C489 V493 M563 C564 V570 G571	F299-V567 HydrophobicContact CD2-CG2 4.11Å; F299-V567 HydrophobicContact CG-CG2 4.38Å; C489-V567 HydrophobicContact CB-CG1 4.2Å; V493-V567 HydrophobicContact CG2-CG1 3.77Å; M563-V567 WeakPolarHBondContact O-CG2 3.46Å; M563-V567 PolarHBondContact O-N 3.02Å; C564-V567 PolarHBondContact O-N 3.47Å; V567-V570 PolarHBondContact O-N 3.47Å; V567-G571 PolarHBondContact O-N 2.92Å
568	G	96.8	Very high	95.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-46.1	177.2	0	0	0	0	0	113.1	T496 C564 A566 T572	T496-G568 PolarHBondContact OG1-O 3.33Å; C564-G568 PolarHBondContact O-N 3.1Å; A566-G568 VanDerWaalsContact C-N 3.35Å; A566-G568 PolarHBondContact O-N 3.26Å; G568-T572 WeakPolarHBondContact O-CB 3.4Å; G568-T572 PolarHBondContact O-N 3.2Å; G568-T572 PolarHBondContact O-OG1 3.44Å
569	Y	97.4	Very high	94.6	Very high	14 Å²	14	27.8 Å²	27.8	6%	0.055	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-45.3	176.4	172.2	-102.9	0	0	0	112.5	F288 I292 L343 W511 Q512 G565 A566 T572 S573	F288-Y569 HydrophobicContact CE1-CD2 4.22Å; F288-Y569 HydrophobicContact CE1-CE1 4.26Å; F288-Y569 AromaticContact CE1-CE2 3.75Å; F288-Y569 HydrophobicContact CE1-CE2 3.75Å; F288-Y569 AromaticContact CE1-CZ 3.76Å; F288-Y569 HydrophobicContact CZ-CD1 4.5Å; F288-Y569 AromaticContact CZ-CD2 3.59Å; F288-Y569 HydrophobicContact CZ-CD2 3.59Å; F288-Y569 HydrophobicContact CZ-CE1 4.47Å; F288-Y569 AromaticContact CZ-CE2 3.55Å; F288-Y569 HydrophobicContact CZ-CE2 3.55Å; F288-Y569 HydrophobicContact CZ-CG 4.07Å; I292-Y569 HydrophobicContact CD1-CD1 3.5Å; I292-Y569 VanDerWaalsContact CD1-CD1 3.5Å; I292-Y569 HydrophobicContact CD1-CE1 4.35Å; I292-Y569 HydrophobicContact CD1-CG 3.67Å; I292-Y569 HydrophobicContact CG1-CD1 3.87Å; I292-Y569 HydrophobicContact CG1-CE1 4.26Å; I292-Y569 HydrophobicContact CG1-CG 4.41Å; I292-Y569 HydrophobicContact CG2-CD1 4.15Å; I292-Y569 HydrophobicContact CG2-CE1 4.48Å; L343-Y569 HydrophobicContact CD1-CE1 4.41Å; L343-Y569 WeakPolarHBondContact CD1-OH 3.43Å; L343-Y569 HydrophobicContact CD2-CE1 3.74Å; W511-Y569 HydrophobicContact CH2-CD2 4.46Å; W511-Y569 AromaticContact CH2-CE2 3.81Å; W511-Y569 HydrophobicContact CH2-CE2 3.81Å; W511-Y569 AromaticContact CZ3-CD2 3.95Å; W511-Y569 HydrophobicContact CZ3-CD2 3.95Å; W511-Y569 AromaticContact CZ3-CE2 3.73Å; W511-Y569 HydrophobicContact CZ3-CE2 3.73Å; Q512-Y569 HydrophobicContact CB-CE2 4.08Å; Q512-Y569 HydrophobicContact CG-CE2 4.1Å; G565-Y569 WeakPolarHBondContact O-CB 2.95Å; G565-Y569 PolarHBondContact O-N 3.44Å; A566-Y569 PolarHBondContact O-N 3.49Å; Y569-T572 PolarHBondContact O-N 2.88Å; Y569-S573 WeakPolarHBondContact O-CB 3.16Å; Y569-S573 PolarHBondContact O-N 3.26Å
570	V	96.4	Very high	94	Very high	68 Å²	68	26.9 Å²	26.9	41%	0.412	15%	0.146	S	C	.	.	H	α-helix	trans	-63.1	-46.3	-179.4	170	0	0	0	0	110.5	A566 V567 S573 A574	A566-V570 WeakPolarHBondContact O-CB 3.19Å; A566-V570 VanDerWaalsContact O-CG2 3.26Å; A566-V570 WeakPolarHBondContact O-CG2 3.11Å; A566-V570 PolarHBondContact O-N 3.37Å; V567-V570 PolarHBondContact O-N 3.47Å; V570-S573 PolarHBondContact O-N 2.99Å; V570-A574 PolarHBondContact O-N 3.15Å; V570-A574 VanDerWaalsContact O-N 3.13Å
571	G	94.9	Very high	93.3	Very high	17 Å²	17	30.3 Å²	30.3	18%	0.175	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-45.6	176.1	0	0	0	0	0	112.5	V567 S573 A574 F575	V567-G571 PolarHBondContact O-N 2.92Å; G571-S573 PolarHBondContact O-N 3.11Å; G571-A574 PolarHBondContact O-N 3.24Å; G571-F575 PolarHBondContact O-N 3.37Å; G571-F575 VanDerWaalsContact O-N 3.1Å
572	T	94.8	Very high	92	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-39.2	177.3	-60.7	0	0	0	0	112.1	T496 T500 W511 G568 Y569 A574 F575 V576	T496-T572 WeakPolarHBondContact CB-OG1 3.36Å; T496-T572 PolarHBondContact OG1-OG1 3.07Å; T500-T572 HydrophobicContact CG2-CG2 3.53Å; T500-T572 VanDerWaalsContact OG1-CG2 3.22Å; T500-T572 WeakPolarHBondContact OG1-CG2 3.29Å; W511-T572 HydrophobicContact CE3-CG2 3.7Å; W511-T572 HydrophobicContact CZ3-CG2 3.81Å; G568-T572 WeakPolarHBondContact O-CB 3.4Å; G568-T572 PolarHBondContact O-N 3.2Å; G568-T572 PolarHBondContact O-OG1 3.44Å; Y569-T572 PolarHBondContact O-N 2.88Å; T572-A574 VanDerWaalsContact C-N 3.33Å; T572-A574 PolarHBondContact O-N 3.02Å; T572-F575 WeakPolarHBondContact O-CB 3.32Å; T572-F575 PolarHBondContact O-N 2.89Å; T572-V576 HydrophobicContact CG2-CG2 4.08Å; T572-V576 WeakPolarHBondContact O-CB 2.74Å; T572-V576 WeakPolarHBondContact O-CG2 3.44Å; T572-V576 PolarHBondContact O-N 3.1Å
573	S	94.2	Very high	90.6	Very high	29 Å²	29	34.9 Å²	34.9	20%	0.203	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-40.8	177.6	-176.4	0	0	0	0	111.6	Y569 V570 G571 R577	Y569-S573 WeakPolarHBondContact O-CB 3.16Å; Y569-S573 PolarHBondContact O-N 3.26Å; V570-S573 PolarHBondContact O-N 2.99Å; G571-S573 PolarHBondContact O-N 3.11Å; S573-R577 WeakPolarHBondContact O-CB 3.38Å; S573-R577 VanDerWaalsContact O-CG 3.28Å; S573-R577 WeakPolarHBondContact O-CG 3.49Å; S573-R577 PolarHBondContact O-N 3.22Å
574	A	92	Very high	88.8	Confident	64 Å²	64	41.3 Å²	41.3	53%	0.529	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-44.4	173.4	0	0	0	0	0	111.6	V570 G571 T572 K578	V570-A574 PolarHBondContact O-N 3.15Å; V570-A574 VanDerWaalsContact O-N 3.13Å; G571-A574 PolarHBondContact O-N 3.24Å; T572-A574 VanDerWaalsContact C-N 3.33Å; T572-A574 PolarHBondContact O-N 3.02Å; A574-K578 WeakPolarHBondContact O-CB 3.49Å; A574-K578 PolarHBondContact O-N 3.25Å
575	F	90.4	Very high	86.7	Confident	24 Å²	24	45 Å²	45	11%	0.105	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-52.1	175.1	167.5	-98.7	0	0	0	112.4	L241 I497 Y501 G571 T572 R577 K578 I579	L241-F575 HydrophobicContact CD2-CD2 4.4Å; L241-F575 HydrophobicContact CD2-CE2 3.65Å; L241-F575 HydrophobicContact CG-CE2 4.32Å; I497-F575 HydrophobicContact CD1-CB 4.07Å; I497-F575 HydrophobicContact CD1-CG 4.42Å; I497-F575 HydrophobicContact CG1-CB 4Å; I497-F575 HydrophobicContact CG1-CD1 4.48Å; I497-F575 HydrophobicContact CG1-CG 4.15Å; I497-F575 HydrophobicContact CG2-CD1 3.98Å; I497-F575 HydrophobicContact CG2-CD2 3.8Å; I497-F575 HydrophobicContact CG2-CE1 4.03Å; I497-F575 HydrophobicContact CG2-CE2 3.83Å; I497-F575 HydrophobicContact CG2-CG 3.87Å; I497-F575 HydrophobicContact CG2-CZ 3.96Å; Y501-F575 HydrophobicContact CD2-CZ 4.18Å; G571-F575 PolarHBondContact O-N 3.37Å; G571-F575 VanDerWaalsContact O-N 3.1Å; T572-F575 WeakPolarHBondContact O-CB 3.32Å; T572-F575 PolarHBondContact O-N 2.89Å; F575-R577 PolarHBondContact O-N 2.98Å; F575-K578 WeakPolarHBondContact O-CB 3.43Å; F575-K578 PolarHBondContact O-N 2.74Å; F575-I579 HydrophobicContact CD1-CD1 4.44Å; F575-I579 HydrophobicContact CD2-CG2 4.13Å; F575-I579 HydrophobicContact CE1-CD1 3.84Å; F575-I579 HydrophobicContact CE1-CG2 4.35Å; F575-I579 HydrophobicContact CE2-CG2 3.72Å; F575-I579 HydrophobicContact CZ-CD1 4.14Å; F575-I579 HydrophobicContact CZ-CG2 3.83Å; F575-I579 PolarHBondContact O-N 2.83Å
576	V	90.9	Very high	84	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.6	-48.8	179.3	171	0	0	0	0	110.2	V278 F279 T500 L504 W511 T572 K578 I579 Y580	V278-V576 HydrophobicContact CG1-CG1 3.39Å; F279-V576 HydrophobicContact CE1-CG1 4.09Å; F279-V576 HydrophobicContact CZ-CG1 4.16Å; T500-V576 HydrophobicContact CG2-CG2 4.13Å; L504-V576 HydrophobicContact CD1-CG2 4.28Å; W511-V576 HydrophobicContact CD2-CG2 4.05Å; W511-V576 HydrophobicContact CE3-CG2 4.13Å; W511-V576 HydrophobicContact CH2-CB 4.37Å; W511-V576 HydrophobicContact CH2-CG2 4.35Å; W511-V576 HydrophobicContact CZ2-CB 4.18Å; W511-V576 HydrophobicContact CZ2-CG1 3.91Å; W511-V576 HydrophobicContact CZ2-CG2 4.27Å; W511-V576 HydrophobicContact CZ3-CG2 4.28Å; T572-V576 HydrophobicContact CG2-CG2 4.08Å; T572-V576 WeakPolarHBondContact O-CB 2.74Å; T572-V576 WeakPolarHBondContact O-CG2 3.44Å; T572-V576 PolarHBondContact O-N 3.1Å; V576-K578 VanDerWaalsContact C-N 3.27Å; V576-K578 PolarHBondContact O-N 3.2Å; V576-I579 WeakPolarHBondContact O-CG1 3.15Å; V576-I579 PolarHBondContact O-N 3.31Å; V576-Y580 HydrophobicContact CG1-CD2 3.77Å; V576-Y580 HydrophobicContact CG1-CE2 3.91Å; V576-Y580 VanDerWaalsContact O-CD2 3.22Å; V576-Y580 WeakPolarHBondContact O-CD2 3.36Å; V576-Y580 PolarHBondContact O-N 3.1Å; V576-Y580 VanDerWaalsContact O-N 3.14Å
577	R	89.4	Confident	83.3	Confident	105 Å²	105	58.2 Å²	58.2	40%	0.396	31%	0.309	S	S	.	.	H	α-helix	trans	-58.6	-41.3	176.2	-71.2	178.2	78	-155.4	2.8	111.8	F279 N422 P424 S573 F575 T581	F279-R577 HydrophobicContact CE1-CG 3.86Å; F279-R577 HydrophobicContact CZ-CG 4.38Å; N422-R577 PolarHBondContact O-NH2 2.94Å; P424-R577 HydrophobicContact CG-CB 4.45Å; S573-R577 WeakPolarHBondContact O-CB 3.38Å; S573-R577 VanDerWaalsContact O-CG 3.28Å; S573-R577 WeakPolarHBondContact O-CG 3.49Å; S573-R577 PolarHBondContact O-N 3.22Å; F575-R577 PolarHBondContact O-N 2.98Å; R577-T581 WeakPolarHBondContact O-CB 3.45Å; R577-T581 PolarHBondContact O-N 3.35Å; R577-T581 PolarHBondContact O-OG1 3.35Å
578	K	87.1	Confident	82.5	Confident	136 Å²	136	59.8 Å²	59.8	59%	0.591	32%	0.317	S	S	*	.	H	α-helix	trans	-65.9	-44.2	-179.3	-171.2	61.6	172.3	175.1	0	112.4	A574 F575 V576 N582	A574-K578 WeakPolarHBondContact O-CB 3.49Å; A574-K578 PolarHBondContact O-N 3.25Å; F575-K578 WeakPolarHBondContact O-CB 3.43Å; F575-K578 PolarHBondContact O-N 2.74Å; V576-K578 VanDerWaalsContact C-N 3.27Å; V576-K578 PolarHBondContact O-N 3.2Å; K578-N582 PolarHBondContact O-ND2 3.36Å; K578-N582 VanDerWaalsContact O-ND2 3.12Å
579	I	83	Confident	81.7	Confident	21 Å²	21	63.2 Å²	63.2	11%	0.108	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-41.5	180	63.3	174	0	0	0	111.6	W271 L504 F575 V576 N582 V583	W271-I579 HydrophobicContact CE3-CD1 3.98Å; W271-I579 HydrophobicContact CH2-CB 4.3Å; W271-I579 HydrophobicContact CZ3-CB 4.08Å; W271-I579 HydrophobicContact CZ3-CD1 4.04Å; W271-I579 HydrophobicContact CZ3-CG1 4.14Å; L504-I579 HydrophobicContact CD1-CD1 4.32Å; F575-I579 HydrophobicContact CD1-CD1 4.44Å; F575-I579 HydrophobicContact CD2-CG2 4.13Å; F575-I579 HydrophobicContact CE1-CD1 3.84Å; F575-I579 HydrophobicContact CE1-CG2 4.35Å; F575-I579 HydrophobicContact CE2-CG2 3.72Å; F575-I579 HydrophobicContact CZ-CD1 4.14Å; F575-I579 HydrophobicContact CZ-CG2 3.83Å; F575-I579 PolarHBondContact O-N 2.83Å; V576-I579 WeakPolarHBondContact O-CG1 3.15Å; V576-I579 PolarHBondContact O-N 3.31Å; I579-N582 PolarHBondContact O-N 2.84Å; I579-V583 WeakPolarHBondContact O-CG2 3.25Å
580	Y	84.7	Confident	80.8	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.008	35%	0.351	C	S	.	.	H	α-helix	trans	-79.3	-20.7	-178.6	-74.1	-76.6	0	0	0	114.3	W271 V274 H275 V278 F279 L504 V576 N582 V583	W271-Y580 AromaticContact CE3-CE1 3.99Å; W271-Y580 HydrophobicContact CE3-CE1 3.99Å; W271-Y580 HydrophobicContact CE3-CE2 4.42Å; W271-Y580 AromaticContact CE3-CZ 3.84Å; W271-Y580 HydrophobicContact CZ3-CD1 4.43Å; W271-Y580 HydrophobicContact CZ3-CE1 4.17Å; W271-Y580 PolarHBondContact O-OH 2.93Å; V274-Y580 WeakPolarHBondContact CG2-OH 3.48Å; H275-Y580 HydrophobicContact CB-CD1 3.8Å; H275-Y580 HydrophobicContact CB-CE1 3.79Å; V278-Y580 HydrophobicContact CB-CE2 4.13Å; V278-Y580 HydrophobicContact CG1-CD2 3.9Å; V278-Y580 HydrophobicContact CG1-CE2 3.59Å; V278-Y580 HydrophobicContact CG2-CE1 4.07Å; V278-Y580 HydrophobicContact CG2-CE2 3.76Å; V278-Y580 VanDerWaalsContact CG2-CZ 3.42Å; V278-Y580 WeakPolarHBondContact CG2-OH 3.45Å; F279-Y580 HydrophobicContact CE2-CD2 4.34Å; F279-Y580 HydrophobicContact CE2-CG 4.15Å; F279-Y580 HydrophobicContact CZ-CD2 4.2Å; F279-Y580 HydrophobicContact CZ-CG 4.34Å; L504-Y580 HydrophobicContact CD1-CE2 4.36Å; V576-Y580 HydrophobicContact CG1-CD2 3.77Å; V576-Y580 HydrophobicContact CG1-CE2 3.91Å; V576-Y580 VanDerWaalsContact O-CD2 3.22Å; V576-Y580 WeakPolarHBondContact O-CD2 3.36Å; V576-Y580 PolarHBondContact O-N 3.1Å; V576-Y580 VanDerWaalsContact O-N 3.14Å; Y580-N582 PolarHBondContact O-N 2.96Å; Y580-V583 HydrophobicContact CD1-CG2 4.23Å; Y580-V583 PolarHBondContact O-N 3.36Å
581	T	81.8	Confident	79.8	Confident	90 Å²	90	65.9 Å²	65.9	55%	0.552	35%	0.347	S	S	*	.	H	α-helix	trans	-68.3	-27.4	169.9	-54.2	0	0	0	0	111.8	P424 R577	P424-T581 WeakPolarHBondContact CG-OG1 3.17Å; R577-T581 WeakPolarHBondContact O-CB 3.45Å; R577-T581 PolarHBondContact O-N 3.35Å; R577-T581 PolarHBondContact O-OG1 3.35Å
582	N	70.9	Confident	78.8	Confident	97 Å²	97	69.2 Å²	69.2	52%	0.519	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-3.2	-180	-65.1	-36.5	0	0	0	113.2	K578 I579 Y580 K584	K578-N582 PolarHBondContact O-ND2 3.36Å; K578-N582 VanDerWaalsContact O-ND2 3.12Å; I579-N582 PolarHBondContact O-N 2.84Å; Y580-N582 PolarHBondContact O-N 2.96Å; N582-K584 PolarHBondContact O-N 3.04Å
583	V	68.7	Low	77.6	Confident	24 Å²	24	74.1 Å²	74.1	15%	0.145	38%	0.384	C	S	.	.			trans	-77.8	113	173.8	-177.8	0	0	0	0	106.9	W271 I579 Y580 I585	W271-V583 HydrophobicContact CH2-CG2 3.86Å; W271-V583 HydrophobicContact CZ3-CG2 3.73Å; I579-V583 WeakPolarHBondContact O-CG2 3.25Å; Y580-V583 HydrophobicContact CD1-CG2 4.23Å; Y580-V583 PolarHBondContact O-N 3.36Å; V583-I585 HydrophobicContact CB-CG1 4.39Å; V583-I585 HydrophobicContact CG1-CD1 4.33Å; V583-I585 HydrophobicContact CG1-CG1 3.7Å; V583-I585 PolarHBondContact O-N 2.92Å
584	K	58.9	Low	76.4	Confident	147 Å²	147	77.6 Å²	77.6	64%	0.639	40%	0.398	S	S	*	.			trans	-69.4	112.6	166.5	-68	-177.7	178.4	-178.5	0	106.7	Y252 N582	Y252-K584 HydrophobicContact CE1-CD 4.45Å; N582-K584 PolarHBondContact O-N 3.04Å
585	I	54.8	Low	75.1	Confident	81 Å²	81	78.8 Å²	78.8	42%	0.415	39%	0.387	S	S	.	.			trans	-112.7	95.7	170.7	-54.2	164.7	0	0	0	103	H275 C425 V583	H275-I585 HydrophobicContact CB-CD1 4.08Å; H275-I585 WeakPolarHBondContact CD2-CD1 3.28Å; C425-I585 HydrophobicContact CB-CD1 4.21Å; V583-I585 HydrophobicContact CB-CG1 4.39Å; V583-I585 HydrophobicContact CG1-CD1 4.33Å; V583-I585 HydrophobicContact CG1-CG1 3.7Å; V583-I585 PolarHBondContact O-N 2.92Å
586	D	40	Very low	73.7	Confident	218 Å²	218	83.7 Å²	83.7	100%	1.166	41%	0.413	S	S	*	.			trans	-76.7	0	172.7	-73.9	-29.6	0	0	0	110.2

Retrieved 586 of 586 residues in 1364.4 ms (Link to these results)

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