A0A087Y876_POEFO Loading...

Sorting nexin

AlphaFold DB , UniProt , Accession A0A087Y876, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 563 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	N	46.6	Very low	84.9	Confident	199 Å²	199	84.8 Å²	84.8	100%	1.064	44%	0.437	S	S	*	.				0	113.4	0	-69.2	0.8	0	0	0	109.1	S3	N1-S3 PolarHBondContact O-N 3.43Å
2	M	63.6	Low	85.6	Confident	181 Å²	181	79.8 Å²	79.8	89%	0.892	41%	0.41	S	S	*	.			trans	-68.3	114.2	169.8	-99.7	177.9	-90.4	0	0	107.4
3	S	78.5	Confident	86.2	Confident	70 Å²	70	83.3 Å²	83.3	49%	0.49	43%	0.428	S	S	.	.			trans	-87.5	138.5	163.7	52.8	0	0	0	0	109	N1 I30	N1-S3 PolarHBondContact O-N 3.43Å; S3-I30 CarbonylContact C-O 3.58Å; S3-I30 VanDerWaalsContact CA-O 3.23Å; S3-I30 WeakPolarHBondContact CA-O 3.22Å
4	V	90.8	Very high	86.5	Confident	30 Å²	30	80.9 Å²	80.9	18%	0.182	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.5	179.1	-170.3	0	0	0	0	108.3	I30 I59 I60 R61	V4-I30 PolarHBondContact N-O 3.33Å; V4-I30 PolarHBondContact O-N 3.46Å; V4-I59 HydrophobicContact CB-CG2 4.17Å; V4-I59 HydrophobicContact CG1-CG2 3.38Å; V4-I60 WeakPolarHBondContact CG1-O 3.29Å; V4-R61 HydrophobicContact CG1-CG 4.06Å
5	K	92.9	Very high	86.2	Confident	134 Å²	134	86.7 Å²	86.7	58%	0.583	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	146.7	176	-67.5	-167.9	173.8	-162.9	0	110.5	I60	K5-I60 PolarHBondContact O-N 3.15Å
6	G	94	Very high	86.1	Confident	2 Å²	2	86.2 Å²	86.2	2%	0.021	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	168.9	171.7	0	0	0	0	0	111.7	V28 N58	G6-V28 PolarHBondContact N-O 3.28Å; G6-V28 PolarHBondContact O-N 2.92Å; G6-N58 CarbonylContact C-O 3.49Å; G6-N58 WeakPolarHBondContact CA-O 3.35Å
7	V	95.4	Very high	86	Confident	40 Å²	40	93.7 Å²	93.7	24%	0.242	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.9	173.5	178.4	0	0	0	0	108.3	I9 E26 V57 N58 I60	V7-I9 PolarHBondContact O-N 2.93Å; V7-E26 WeakPolarHBondContact CA-O 3.44Å; V7-V57 CarbonylContact O-C 3.57Å; V7-V57 WeakPolarHBondContact O-CA 3.42Å; V7-N58 PolarHBondContact N-O 3.4Å; V7-N58 PolarHBondContact O-N 3.26Å; V7-I60 HydrophobicContact CG2-CD1 3.89Å
8	A	94.4	Very high	86.1	Confident	0 Å²	0	96.6 Å²	96.6	0%	0	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	126.1	174.2	0	0	0	0	0	110.5	I22 Q23 N25 E26 Y56 V57	A8-I22 HydrophobicContact CB-CB 4.27Å; A8-I22 HydrophobicContact CB-CD1 3.91Å; A8-I22 HydrophobicContact CB-CG1 4.37Å; A8-Q23 WeakPolarHBondContact CB-O 3.13Å; A8-N25 WeakPolarHBondContact O-CA 3.46Å; A8-N25 PolarHBondContact O-N 3.31Å; A8-E26 HydrophobicContact CB-CB 4.32Å; A8-E26 PolarHBondContact N-O 3.39Å; A8-Y56 CarbonylContact C-O 3.55Å; A8-Y56 WeakPolarHBondContact CA-O 3.21Å; A8-V57 HydrophobicContact CB-CG1 4.34Å
9	I	94.9	Very high	86.5	Confident	69 Å²	69	93.1 Å²	93.1	35%	0.354	47%	0.467	S	S	.	.	S	Bend	trans	-99.4	-8.4	178.3	55.8	166.1	0	0	0	112.6	V7 Y56 N58	V7-I9 PolarHBondContact O-N 2.93Å; I9-Y56 WeakPolarHBondContact CG1-O 3.41Å; I9-Y56 PolarHBondContact N-O 3.29Å; I9-N58 HydrophobicContact CG2-CB 3.87Å
10	Y	89.5	Confident	86.9	Confident	134 Å²	134	89 Å²	89	53%	0.525	45%	0.446	S	S	.	.	S	Bend	trans	-144.4	152.3	173.4	-60.7	-67	0	0	0	109.8	Y56	Y10-Y56 VanDerWaalsContact CB-CD1 3.45Å; Y10-Y56 HydrophobicContact CD2-CG 4.41Å; Y10-Y56 HydrophobicContact CG-CD1 4.46Å
11	T	93	Very high	87.3	Confident	74 Å²	74	86 Å²	86	45%	0.454	43%	0.434	S	S	.	.			trans	-76.1	129.6	172	-61.2	0	0	0	0	110.3	I22 E24 Y56	T11-I22 CarbonylContact C-O 3.53Å; T11-I22 WeakPolarHBondContact CA-O 3.35Å; T11-E24 PolarHBondContact OG1-N 3.4Å; T11-Y56 WeakPolarHBondContact O-CE1 3.27Å
12	F	94	Very high	89.6	Confident	25 Å²	25	76.5 Å²	76.5	11%	0.11	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-122.3	132.4	173.4	171.3	-103.7	0	0	0	109.6	E19 I20 S21 I22 W39 F52 P53 Y56	F12-E19 HydrophobicContact CE1-CB 4.24Å; F12-E19 HydrophobicContact CE1-CG 4.43Å; F12-E19 HydrophobicContact CZ-CB 4.47Å; F12-E19 HydrophobicContact CZ-CG 4.28Å; F12-I20 VanDerWaalsContact CD1-O 3.31Å; F12-I20 WeakPolarHBondContact CD1-O 3.46Å; F12-I20 WeakPolarHBondContact CE1-O 3.32Å; F12-S21 CarbonylContact O-C 3.56Å; F12-S21 WeakPolarHBondContact O-CA 3.44Å; F12-S21 WeakPolarHBondContact O-CB 3.3Å; F12-I22 HydrophobicContact CB-CD1 4.32Å; F12-I22 HydrophobicContact CB-CG1 3.68Å; F12-I22 HydrophobicContact CD1-CG1 4.44Å; F12-I22 PolarHBondContact N-O 2.79Å; F12-I22 PolarHBondContact O-N 3.4Å; F12-I22 VanDerWaalsContact O-O 3.1Å; F12-W39 HydrophobicContact CE1-CZ3 4.15Å; F12-W39 AromaticContact CE2-CH2 3.94Å; F12-W39 HydrophobicContact CE2-CH2 3.94Å; F12-W39 HydrophobicContact CE2-CZ3 4.28Å; F12-W39 AromaticContact CZ-CH2 3.63Å; F12-W39 HydrophobicContact CZ-CH2 3.63Å; F12-W39 AromaticContact CZ-CZ3 3.66Å; F12-W39 HydrophobicContact CZ-CZ3 3.66Å; F12-F52 HydrophobicContact CD1-CB 4.13Å; F12-F52 HydrophobicContact CE1-CB 4.38Å; F12-P53 HydrophobicContact CD2-CG 3.82Å; F12-P53 HydrophobicContact CE2-CG 3.9Å; F12-P53 HydrophobicContact CG-CG 4.27Å; F12-P53 HydrophobicContact CZ-CG 4.4Å; F12-Y56 HydrophobicContact CB-CD1 3.72Å; F12-Y56 HydrophobicContact CB-CE1 4.09Å
13	L	93.4	Very high	91.1	Very high	125 Å²	125	73.9 Å²	73.9	65%	0.654	37%	0.369	S	S	*	.			trans	-107.7	127.3	176.4	-63.5	173.6	0	0	0	108.2
14	S	90.3	Very high	91.9	Very high	49 Å²	49	75.7 Å²	75.7	34%	0.343	37%	0.369	S	S	.	.			trans	-68.4	133.7	179.5	48.9	0	0	0	0	111.1	E19 S21	S14-E19 WeakPolarHBondContact CB-O 3.36Å; S14-S21 PolarHBondContact N-OG 2.83Å; S14-S21 PolarHBondContact OG-OG 3.46Å
15	E	81.1	Confident	91.9	Very high	169 Å²	169	80.1 Å²	80.1	79%	0.79	39%	0.392	S	S	*	.			trans	-103.8	-13.4	179.3	-64.4	-172.5	172.8	0	0	112.2	E19	E15-E19 PolarHBondContact N-OE2 3.25Å
16	N	84.7	Confident	92	Very high	78 Å²	78	74.4 Å²	74.4	42%	0.417	37%	0.367	S	S	.	.	S	Bend	trans	-136.5	-178.6	177.2	66.7	47	0	0	0	112.6	E18 E19	N16-E18 PolarHBondContact OD1-N 3.31Å; N16-E19 PolarHBondContact ND2-OE1 3.46Å; N16-E19 WeakPolarHBondContact OD1-CB 3.34Å; N16-E19 VanDerWaalsContact OD1-CG 3.27Å; N16-E19 WeakPolarHBondContact OD1-CG 3.25Å; N16-E19 PolarHBondContact OD1-N 3.41Å
17	K	85.2	Confident	92.1	Very high	214 Å²	214	80.6 Å²	80.6	93%	0.93	40%	0.396	S	S	*	.	S	Bend	trans	-82.1	-12.2	-176.3	-64.6	-175.8	179.5	179.2	0	114.5
18	E	86.8	Confident	92.1	Very high	145 Å²	145	78.8 Å²	78.8	68%	0.678	39%	0.385	S	S	*	.	S	Bend	trans	-93.6	-13.9	-179.7	-62.7	-179.9	-174.8	0	0	111.4	N16 G50 L51	N16-E18 PolarHBondContact OD1-N 3.31Å; E18-G50 CarbonylContact O-C 3.39Å; E18-G50 VanDerWaalsContact O-CA 3.29Å; E18-G50 WeakPolarHBondContact O-CA 3.41Å; E18-L51 PolarHBondContact O-N 3.37Å
19	E	93.6	Very high	92.1	Very high	31 Å²	31	81 Å²	81	15%	0.145	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-95.9	153.3	177.6	-72.1	165	-164.2	0	0	112.5	F12 S14 E15 N16 W39 L51	F12-E19 HydrophobicContact CE1-CB 4.24Å; F12-E19 HydrophobicContact CE1-CG 4.43Å; F12-E19 HydrophobicContact CZ-CB 4.47Å; F12-E19 HydrophobicContact CZ-CG 4.28Å; S14-E19 WeakPolarHBondContact CB-O 3.36Å; E15-E19 PolarHBondContact N-OE2 3.25Å; N16-E19 PolarHBondContact ND2-OE1 3.46Å; N16-E19 WeakPolarHBondContact OD1-CB 3.34Å; N16-E19 VanDerWaalsContact OD1-CG 3.27Å; N16-E19 WeakPolarHBondContact OD1-CG 3.25Å; N16-E19 PolarHBondContact OD1-N 3.41Å; E19-W39 HydrophobicContact CG-CH2 4.39Å; E19-W39 HydrophobicContact CG-CZ3 4Å; E19-L51 VanDerWaalsContact CA-O 3.29Å; E19-L51 WeakPolarHBondContact CA-O 3.4Å; E19-L51 HydrophobicContact CG-CB 4.44Å
20	I	95.1	Very high	92.1	Very high	10 Å²	10	77.8 Å²	77.8	5%	0.051	38%	0.382	C	S	.	.			trans	-120.1	144.9	169.2	58.3	175.1	0	0	0	110.4	F12 N44 E48 R49 L51 F52	F12-I20 VanDerWaalsContact CD1-O 3.31Å; F12-I20 WeakPolarHBondContact CD1-O 3.46Å; F12-I20 WeakPolarHBondContact CE1-O 3.32Å; I20-N44 HydrophobicContact CD1-CB 3.97Å; I20-E48 HydrophobicContact CB-CB 4.41Å; I20-E48 WeakPolarHBondContact CD1-O 3.42Å; I20-E48 HydrophobicContact CG2-CB 3.75Å; I20-R49 VanDerWaalsContact CG2-C 3.46Å; I20-L51 PolarHBondContact N-O 3.18Å; I20-L51 VanDerWaalsContact N-O 3.13Å; I20-F52 HydrophobicContact CD1-CD1 3.77Å; I20-F52 HydrophobicContact CD1-CE1 3.91Å; I20-F52 HydrophobicContact CG1-CD1 3.73Å; I20-F52 HydrophobicContact CG1-CE1 4.38Å
21	S	95	Very high	92.1	Very high	26 Å²	26	74.5 Å²	74.5	18%	0.182	37%	0.37	C	S	.	.			trans	-76.3	139.1	173.6	-60.6	0	0	0	0	110.3	F12 S14 N44 R46	F12-S21 CarbonylContact O-C 3.56Å; F12-S21 WeakPolarHBondContact O-CA 3.44Å; F12-S21 WeakPolarHBondContact O-CB 3.3Å; S14-S21 PolarHBondContact N-OG 2.83Å; S14-S21 PolarHBondContact OG-OG 3.46Å; S21-N44 PolarHBondContact O-ND2 2.87Å; S21-R46 PolarHBondContact O-NH2 3.34Å
22	I	96.3	Very high	91.8	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-126.8	141.5	173.3	55.5	169	0	0	0	109.4	A8 T11 F12 E26 V28 N44 F52 V57	A8-I22 HydrophobicContact CB-CB 4.27Å; A8-I22 HydrophobicContact CB-CD1 3.91Å; A8-I22 HydrophobicContact CB-CG1 4.37Å; T11-I22 CarbonylContact C-O 3.53Å; T11-I22 WeakPolarHBondContact CA-O 3.35Å; F12-I22 HydrophobicContact CB-CD1 4.32Å; F12-I22 HydrophobicContact CB-CG1 3.68Å; F12-I22 HydrophobicContact CD1-CG1 4.44Å; F12-I22 PolarHBondContact N-O 2.79Å; F12-I22 PolarHBondContact O-N 3.4Å; F12-I22 VanDerWaalsContact O-O 3.1Å; I22-E26 WeakPolarHBondContact CA-OE2 3.23Å; I22-V28 HydrophobicContact CG2-CG1 3.88Å; I22-N44 HydrophobicContact CG2-CB 4.1Å; I22-F52 HydrophobicContact CD1-CB 4.06Å; I22-F52 HydrophobicContact CD1-CD2 3.94Å; I22-F52 HydrophobicContact CD1-CG 4.14Å; I22-F52 HydrophobicContact CG1-CB 4.42Å; I22-F52 HydrophobicContact CG2-CD1 4.3Å; I22-F52 HydrophobicContact CG2-CG 4.3Å; I22-V57 HydrophobicContact CD1-CG1 3.69Å
23	Q	94.6	Very high	91	Very high	126 Å²	126	75 Å²	75	59%	0.589	37%	0.37	S	S	*	.			trans	-99.4	149.3	177.1	-69.1	-176.2	-4.5	0	0	111	A8 N25 E26	A8-Q23 WeakPolarHBondContact CB-O 3.13Å; Q23-N25 PolarHBondContact O-N 2.95Å; Q23-E26 HydrophobicContact CB-CB 4.34Å; Q23-E26 PolarHBondContact N-OE2 3.05Å; Q23-E26 WeakPolarHBondContact O-CB 3.26Å; Q23-E26 PolarHBondContact O-N 2.91Å
24	E	94.1	Very high	90.1	Very high	109 Å²	109	75.4 Å²	75.4	51%	0.509	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	134.2	172.4	-169	-175.1	161.8	0	0	110.9	T11 E26	T11-E24 PolarHBondContact OG1-N 3.4Å; E24-E26 VanDerWaalsContact C-N 3.27Å; E24-E26 PolarHBondContact O-N 3.45Å
25	N	91.7	Very high	89.1	Confident	122 Å²	122	75.3 Å²	75.3	65%	0.652	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	11.5	-172.6	-52.5	-66	0	0	0	115.8	A8 Q23	A8-N25 WeakPolarHBondContact O-CA 3.46Å; A8-N25 PolarHBondContact O-N 3.31Å; Q23-N25 PolarHBondContact O-N 2.95Å
26	E	95.2	Very high	88.7	Confident	14 Å²	14	71.2 Å²	71.2	7%	0.065	36%	0.358	C	S	.	.			trans	-75.6	136	173.6	-172.8	173	-174.8	0	0	111.8	V7 A8 I22 Q23 E24 N44 S45 R46	V7-E26 WeakPolarHBondContact CA-O 3.44Å; A8-E26 HydrophobicContact CB-CB 4.32Å; A8-E26 PolarHBondContact N-O 3.39Å; I22-E26 WeakPolarHBondContact CA-OE2 3.23Å; Q23-E26 HydrophobicContact CB-CB 4.34Å; Q23-E26 PolarHBondContact N-OE2 3.05Å; Q23-E26 WeakPolarHBondContact O-CB 3.26Å; Q23-E26 PolarHBondContact O-N 2.91Å; E24-E26 VanDerWaalsContact C-N 3.27Å; E24-E26 PolarHBondContact O-N 3.45Å; E26-N44 WeakPolarHBondContact OE1-CB 3.37Å; E26-S45 VanDerWaalsContact CD-OG 3.3Å; E26-S45 WeakPolarHBondContact CG-OG 3.19Å; E26-S45 VanDerWaalsContact OE1-CB 3.26Å; E26-S45 WeakPolarHBondContact OE1-CB 3.4Å; E26-S45 PolarHBondContact OE1-N 3.29Å; E26-S45 PolarHBondContact OE1-OG 3.24Å; E26-R46 IonicContact OE1-NH1 3.84Å; E26-R46 PolarHBondContact OE1-NH1 3.09Å; E26-R46 IonicContact OE2-NH1 3.88Å; E26-R46 PolarHBondContact OE2-NH1 3.42Å
27	E	94.9	Very high	88.4	Confident	132 Å²	132	75.2 Å²	75.2	62%	0.617	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	132.8	170.5	-72	-167.9	-176.1	0	0	110.8	S45	E27-S45 PolarHBondContact O-N 3.17Å
28	V	95.8	Very high	88.3	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.018	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.2	177.4	-61.2	0	0	0	0	111.3	G6 I22 I30 E43 F52 V57	G6-V28 PolarHBondContact N-O 3.28Å; G6-V28 PolarHBondContact O-N 2.92Å; I22-V28 HydrophobicContact CG2-CG1 3.88Å; V28-I30 HydrophobicContact CG2-CG1 4.4Å; V28-E43 CarbonylContact C-O 3.52Å; V28-E43 WeakPolarHBondContact CA-O 3.47Å; V28-F52 HydrophobicContact CB-CE2 4.46Å; V28-F52 HydrophobicContact CB-CZ 3.98Å; V28-F52 HydrophobicContact CG1-CZ 4.32Å; V28-F52 HydrophobicContact CG2-CE2 4.14Å; V28-F52 HydrophobicContact CG2-CZ 4.07Å; V28-V57 HydrophobicContact CG2-CB 4.41Å; V28-V57 HydrophobicContact CG2-CG1 3.96Å
29	V	95.1	Very high	88.5	Confident	46 Å²	46	63.2 Å²	63.2	28%	0.279	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.2	174.1	-178.4	0	0	0	0	108.7	F31 G42 E43	V29-F31 HydrophobicContact CG1-CD1 4.43Å; V29-F31 HydrophobicContact CG1-CE1 3.84Å; V29-F31 HydrophobicContact CG1-CZ 4.13Å; V29-G42 CarbonylContact O-C 3.54Å; V29-G42 WeakPolarHBondContact O-CA 3.43Å; V29-E43 HydrophobicContact CB-CB 4.44Å; V29-E43 PolarHBondContact N-O 3.43Å; V29-E43 PolarHBondContact O-N 3.15Å
30	I	93.8	Very high	88.5	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.6	-176.7	-59.9	165.3	0	0	0	109	S3 V4 V28 E33 V40 F52 V57 I59	S3-I30 CarbonylContact C-O 3.58Å; S3-I30 VanDerWaalsContact CA-O 3.23Å; S3-I30 WeakPolarHBondContact CA-O 3.22Å; V4-I30 PolarHBondContact N-O 3.33Å; V4-I30 PolarHBondContact O-N 3.46Å; V28-I30 HydrophobicContact CG2-CG1 4.4Å; I30-E33 HydrophobicContact CG2-CG 3.98Å; I30-V40 HydrophobicContact CD1-CG2 4.49Å; I30-V40 HydrophobicContact CG1-CG2 4.39Å; I30-V40 HydrophobicContact CG2-CB 4.03Å; I30-V40 HydrophobicContact CG2-CG1 4.46Å; I30-V40 HydrophobicContact CG2-CG2 4.49Å; I30-F52 HydrophobicContact CG1-CE2 4.38Å; I30-F52 HydrophobicContact CG1-CZ 4.13Å; I30-V57 HydrophobicContact CD1-CG2 4.25Å; I30-I59 HydrophobicContact CD1-CD1 3.82Å; I30-I59 HydrophobicContact CD1-CG1 3.64Å; I30-I59 HydrophobicContact CD1-CG2 4.41Å
31	F	90.3	Very high	88.4	Confident	66 Å²	66	64.2 Å²	64.2	29%	0.289	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-31.2	179.4	-55.7	-64.8	0	0	0	113.1	V29 L41 E43 R49	V29-F31 HydrophobicContact CG1-CD1 4.43Å; V29-F31 HydrophobicContact CG1-CE1 3.84Å; V29-F31 HydrophobicContact CG1-CZ 4.13Å; F31-L41 PolarHBondContact N-O 3.36Å; F31-E43 HydrophobicContact CE2-CB 3.75Å; F31-E43 HydrophobicContact CZ-CB 3.93Å; F31-R49 HydrophobicContact CE2-CG 4.29Å
32	D	86.3	Confident	88.3	Confident	70 Å²	70	63 Å²	63	37%	0.374	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	114.1	178	-173	-5.1	0	0	0	110.5	N34 S35 V40 L41	D32-N34 VanDerWaalsContact C-N 3.33Å; D32-N34 PolarHBondContact OD1-N 2.8Å; D32-S35 PolarHBondContact OD1-N 3.36Å; D32-V40 WeakPolarHBondContact O-CA 3.21Å; D32-L41 HydrophobicContact CB-CB 4.18Å; D32-L41 PolarHBondContact N-O 2.59Å; D32-L41 PolarHBondContact O-N 3.47Å
33	E	78.6	Confident	88.3	Confident	39 Å²	39	65.2 Å²	65.2	18%	0.182	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-9.9	-179.6	-70.9	-167.9	-149.6	0	0	114.1	I30 K54 I59 R61	I30-E33 HydrophobicContact CG2-CG 3.98Å; E33-K54 PolarHBondContact O-NZ 3.48Å; E33-K54 IonicContact OE2-NZ 3.64Å; E33-I59 HydrophobicContact CG-CD1 4.19Å; E33-R61 IonicContact OE1-CZ 2.82Å; E33-R61 IonicContact OE1-NE 3.15Å; E33-R61 IonicContact OE1-NH2 3.31Å; E33-R61 PolarHBondContact OE1-NH2 3.4Å; E33-R61 IonicContact OE2-CZ 3.07Å; E33-R61 IonicContact OE2-NH2 2.8Å; E33-R61 PolarHBondContact OE2-NH2 2.72Å
34	N	74.4	Confident	88.3	Confident	133 Å²	133	59.5 Å²	59.5	71%	0.711	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	25.3	-173.5	-66.3	-25.1	0	0	0	112.4	D32 V36	D32-N34 VanDerWaalsContact C-N 3.33Å; D32-N34 PolarHBondContact OD1-N 2.8Å; N34-V36 PolarHBondContact O-N 3.23Å
35	S	68.7	Low	88.2	Confident	48 Å²	48	58.3 Å²	58.3	34%	0.336	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	-46.4	-176.1	-174.2	0	0	0	0	112.2	D32	D32-S35 PolarHBondContact OD1-N 3.36Å
36	V	72.6	Confident	88.3	Confident	82 Å²	82	57.9 Å²	57.9	50%	0.497	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	148.3	174.4	-178.9	0	0	0	0	108.3	N34 G38 W39	N34-V36 PolarHBondContact O-N 3.23Å; V36-G38 PolarHBondContact O-N 3.12Å; V36-G38 VanDerWaalsContact O-N 3.11Å; V36-W39 HydrophobicContact CB-CB 4.34Å; V36-W39 PolarHBondContact O-N 3.12Å; V36-W39 VanDerWaalsContact O-O 3.07Å
37	D	78.1	Confident	88	Confident	162 Å²	162	59.2 Å²	59.2	87%	0.866	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	117.4	-178	-167.6	23.9	0	0	0	111.9
38	G	83.2	Confident	87.9	Confident	40 Å²	40	57.1 Å²	57.1	41%	0.412	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-1.6	-176.7	0	0	0	0	0	116.7	V36 K54	V36-G38 PolarHBondContact O-N 3.12Å; V36-G38 VanDerWaalsContact O-N 3.11Å; G38-K54 WeakPolarHBondContact O-CB 3.45Å; G38-K54 PolarHBondContact O-N 2.69Å
39	W	91.4	Very high	87.8	Confident	67 Å²	67	65.1 Å²	65.1	25%	0.254	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.3	-177.5	-66.2	80.1	0	0	0	112.3	F12 E19 V36 L51 P53	F12-W39 HydrophobicContact CE1-CZ3 4.15Å; F12-W39 AromaticContact CE2-CH2 3.94Å; F12-W39 HydrophobicContact CE2-CH2 3.94Å; F12-W39 HydrophobicContact CE2-CZ3 4.28Å; F12-W39 AromaticContact CZ-CH2 3.63Å; F12-W39 HydrophobicContact CZ-CH2 3.63Å; F12-W39 AromaticContact CZ-CZ3 3.66Å; F12-W39 HydrophobicContact CZ-CZ3 3.66Å; E19-W39 HydrophobicContact CG-CH2 4.39Å; E19-W39 HydrophobicContact CG-CZ3 4Å; V36-W39 HydrophobicContact CB-CB 4.34Å; V36-W39 PolarHBondContact O-N 3.12Å; V36-W39 VanDerWaalsContact O-O 3.07Å; W39-L51 HydrophobicContact CE3-CB 3.98Å; W39-P53 HydrophobicContact CE3-CG 4.2Å; W39-P53 HydrophobicContact CH2-CG 3.89Å; W39-P53 HydrophobicContact CZ2-CG 4.32Å; W39-P53 HydrophobicContact CZ3-CG 3.83Å
40	V	92.6	Very high	87.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.2	174.4	-61.2	0	0	0	0	110.5	I30 D32 L51 F52 K54 V57	I30-V40 HydrophobicContact CD1-CG2 4.49Å; I30-V40 HydrophobicContact CG1-CG2 4.39Å; I30-V40 HydrophobicContact CG2-CB 4.03Å; I30-V40 HydrophobicContact CG2-CG1 4.46Å; I30-V40 HydrophobicContact CG2-CG2 4.49Å; D32-V40 WeakPolarHBondContact O-CA 3.21Å; V40-L51 WeakPolarHBondContact O-CA 3.24Å; V40-F52 HydrophobicContact CG2-CD2 3.5Å; V40-F52 HydrophobicContact CG2-CE2 3.17Å; V40-F52 HydrophobicContact CG2-CG 4.31Å; V40-F52 HydrophobicContact CG2-CZ 3.78Å; V40-F52 PolarHBondContact N-O 3.23Å; V40-F52 PolarHBondContact O-N 3.4Å; V40-F52 VanDerWaalsContact O-N 3.12Å; V40-K54 HydrophobicContact CG1-CB 3.84Å; V40-K54 HydrophobicContact CG1-CD 3.99Å; V40-K54 HydrophobicContact CG1-CG 3.76Å; V40-V57 HydrophobicContact CG2-CG2 4.28Å
41	L	92.9	Very high	87.7	Confident	62 Å²	62	64.5 Å²	64.5	33%	0.325	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.6	172.5	-178.1	68.3	0	0	0	108.9	F31 D32 L51	F31-L41 PolarHBondContact N-O 3.36Å; D32-L41 HydrophobicContact CB-CB 4.18Å; D32-L41 PolarHBondContact N-O 2.59Å; D32-L41 PolarHBondContact O-N 3.47Å; L41-L51 HydrophobicContact CB-CD2 4.05Å; L41-L51 HydrophobicContact CD1-CD2 4.13Å; L41-L51 HydrophobicContact CD1-CG 4.46Å
42	G	94.1	Very high	87.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	-173.5	-178.2	0	0	0	0	0	114.6	V29 R49 G50	V29-G42 CarbonylContact O-C 3.54Å; V29-G42 WeakPolarHBondContact O-CA 3.43Å; G42-R49 WeakPolarHBondContact O-CA 3.48Å; G42-G50 PolarHBondContact N-O 3.11Å; G42-G50 VanDerWaalsContact N-O 3.08Å; G42-G50 PolarHBondContact O-N 3.4Å
43	E	95.7	Very high	88.3	Confident	48 Å²	48	58.6 Å²	58.6	22%	0.224	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.6	176.7	-163.6	174.7	119	0	0	109.3	V28 V29 F31 E48 R49	V28-E43 CarbonylContact C-O 3.52Å; V28-E43 WeakPolarHBondContact CA-O 3.47Å; V29-E43 HydrophobicContact CB-CB 4.44Å; V29-E43 PolarHBondContact N-O 3.43Å; V29-E43 PolarHBondContact O-N 3.15Å; F31-E43 HydrophobicContact CE2-CB 3.75Å; F31-E43 HydrophobicContact CZ-CB 3.93Å; E43-E48 VanDerWaalsContact CA-O 3.25Å; E43-E48 WeakPolarHBondContact CA-O 3.29Å; E43-R49 HydrophobicContact CB-CG 4.06Å; E43-R49 HydrophobicContact CG-CG 3.88Å; E43-R49 IonicContact OE2-CZ 3.3Å; E43-R49 VanDerWaalsContact OE2-CZ 3.23Å; E43-R49 IonicContact OE2-NE 3.39Å; E43-R49 PolarHBondContact OE2-NE 2.96Å; E43-R49 IonicContact OE2-NH2 2.64Å; E43-R49 PolarHBondContact OE2-NH2 2.92Å
44	N	95	Very high	88.9	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.032	32%	0.321	C	S	.	.			trans	-87.9	178.5	175.3	68.8	15.6	0	0	0	112	I20 S21 I22 E26 R46 G47 E48	I20-N44 HydrophobicContact CD1-CB 3.97Å; S21-N44 PolarHBondContact O-ND2 2.87Å; I22-N44 HydrophobicContact CG2-CB 4.1Å; E26-N44 WeakPolarHBondContact OE1-CB 3.37Å; N44-R46 VanDerWaalsContact ND2-CZ 3.33Å; N44-R46 PolarHBondContact ND2-NH2 3.31Å; N44-R46 PolarHBondContact O-N 2.96Å; N44-R46 VanDerWaalsContact O-N 3.11Å; N44-R46 WeakPolarHBondContact OD1-CA 3.38Å; N44-R46 WeakPolarHBondContact OD1-CB 3.3Å; N44-R46 PolarHBondContact OD1-N 3.32Å; N44-G47 PolarHBondContact O-N 3.23Å; N44-G47 PolarHBondContact OD1-N 2.9Å; N44-E48 PolarHBondContact N-O 2.91Å; N44-E48 VanDerWaalsContact N-O 3.08Å; N44-E48 PolarHBondContact ND2-OE2 3.43Å; N44-E48 WeakPolarHBondContact OD1-CB 3.5Å; N44-E48 PolarHBondContact OD1-N 3.24Å
45	S	92.9	Very high	89.8	Confident	84 Å²	84	57.8 Å²	57.8	59%	0.587	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.6	-179.1	71.2	0	0	0	0	113.7	E26 E27 G47	E26-S45 VanDerWaalsContact CD-OG 3.3Å; E26-S45 WeakPolarHBondContact CG-OG 3.19Å; E26-S45 VanDerWaalsContact OE1-CB 3.26Å; E26-S45 WeakPolarHBondContact OE1-CB 3.4Å; E26-S45 PolarHBondContact OE1-N 3.29Å; E26-S45 PolarHBondContact OE1-OG 3.24Å; E27-S45 PolarHBondContact O-N 3.17Å; S45-G47 VanDerWaalsContact C-N 3.35Å
46	R	92.6	Very high	91	Very high	113 Å²	113	59.4 Å²	59.4	43%	0.426	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.8	176.6	-58.9	-177.5	-62.5	-75.8	4.7	112.8	S21 E26 N44 E48	S21-R46 PolarHBondContact O-NH2 3.34Å; E26-R46 IonicContact OE1-NH1 3.84Å; E26-R46 PolarHBondContact OE1-NH1 3.09Å; E26-R46 IonicContact OE2-NH1 3.88Å; E26-R46 PolarHBondContact OE2-NH1 3.42Å; N44-R46 VanDerWaalsContact ND2-CZ 3.33Å; N44-R46 PolarHBondContact ND2-NH2 3.31Å; N44-R46 PolarHBondContact O-N 2.96Å; N44-R46 VanDerWaalsContact O-N 3.11Å; N44-R46 WeakPolarHBondContact OD1-CA 3.38Å; N44-R46 WeakPolarHBondContact OD1-CB 3.3Å; N44-R46 PolarHBondContact OD1-N 3.32Å; R46-E48 VanDerWaalsContact C-N 3.31Å; R46-E48 HydrophobicContact CB-CG 4.18Å; R46-E48 IonicContact CZ-OE2 3.98Å; R46-E48 VanDerWaalsContact CZ-OE2 3.31Å; R46-E48 IonicContact NE-OE1 3.18Å; R46-E48 IonicContact NE-OE2 3.87Å; R46-E48 PolarHBondContact NE-OE2 2.97Å; R46-E48 IonicContact NH2-OE2 2.62Å; R46-E48 PolarHBondContact NH2-OE2 2.66Å
47	G	90	Very high	91.9	Very high	42 Å²	42	56 Å²	56	43%	0.433	29%	0.294	S	S	.	.	S	Bend	trans	79.1	11.3	-178.1	0	0	0	0	0	114.1	N44 S45	N44-G47 PolarHBondContact O-N 3.23Å; N44-G47 PolarHBondContact OD1-N 2.9Å; S45-G47 VanDerWaalsContact C-N 3.35Å
48	E	92.5	Very high	92.6	Very high	87 Å²	87	53.2 Å²	53.2	41%	0.407	28%	0.279	S	S	.	.			trans	-81.4	134.7	176.8	-54.1	170.7	142.9	0	0	109	I20 E43 N44 R46	I20-E48 HydrophobicContact CB-CB 4.41Å; I20-E48 WeakPolarHBondContact CD1-O 3.42Å; I20-E48 HydrophobicContact CG2-CB 3.75Å; E43-E48 VanDerWaalsContact CA-O 3.25Å; E43-E48 WeakPolarHBondContact CA-O 3.29Å; N44-E48 PolarHBondContact N-O 2.91Å; N44-E48 VanDerWaalsContact N-O 3.08Å; N44-E48 PolarHBondContact ND2-OE2 3.43Å; N44-E48 WeakPolarHBondContact OD1-CB 3.5Å; N44-E48 PolarHBondContact OD1-N 3.24Å; R46-E48 VanDerWaalsContact C-N 3.31Å; R46-E48 HydrophobicContact CB-CG 4.18Å; R46-E48 IonicContact CZ-OE2 3.98Å; R46-E48 VanDerWaalsContact CZ-OE2 3.31Å; R46-E48 IonicContact NE-OE1 3.18Å; R46-E48 IonicContact NE-OE2 3.87Å; R46-E48 PolarHBondContact NE-OE2 2.97Å; R46-E48 IonicContact NH2-OE2 2.62Å; R46-E48 PolarHBondContact NH2-OE2 2.66Å
49	R	93.8	Very high	93	Very high	171 Å²	171	53 Å²	53	65%	0.645	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	133.2	179.2	-69	-175.3	179.6	-176.7	-0.8	111.7	I20 F31 G42 E43	I20-R49 VanDerWaalsContact CG2-C 3.46Å; F31-R49 HydrophobicContact CE2-CG 4.29Å; G42-R49 WeakPolarHBondContact O-CA 3.48Å; E43-R49 HydrophobicContact CB-CG 4.06Å; E43-R49 HydrophobicContact CG-CG 3.88Å; E43-R49 IonicContact OE2-CZ 3.3Å; E43-R49 VanDerWaalsContact OE2-CZ 3.23Å; E43-R49 IonicContact OE2-NE 3.39Å; E43-R49 PolarHBondContact OE2-NE 2.96Å; E43-R49 IonicContact OE2-NH2 2.64Å; E43-R49 PolarHBondContact OE2-NH2 2.92Å
50	G	92.9	Very high	92.9	Very high	5 Å²	5	54.2 Å²	54.2	5%	0.052	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-169.3	176.5	0	0	0	0	0	112	E18 G42	E18-G50 CarbonylContact O-C 3.39Å; E18-G50 VanDerWaalsContact O-CA 3.29Å; E18-G50 WeakPolarHBondContact O-CA 3.41Å; G42-G50 PolarHBondContact N-O 3.11Å; G42-G50 VanDerWaalsContact N-O 3.08Å; G42-G50 PolarHBondContact O-N 3.4Å
51	L	93.6	Very high	92.4	Very high	30 Å²	30	62.4 Å²	62.4	16%	0.157	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	142.2	-177.5	-65.4	170.9	0	0	0	111.4	E18 E19 I20 W39 V40 L41	E18-L51 PolarHBondContact O-N 3.37Å; E19-L51 VanDerWaalsContact CA-O 3.29Å; E19-L51 WeakPolarHBondContact CA-O 3.4Å; E19-L51 HydrophobicContact CG-CB 4.44Å; I20-L51 PolarHBondContact N-O 3.18Å; I20-L51 VanDerWaalsContact N-O 3.13Å; W39-L51 HydrophobicContact CE3-CB 3.98Å; V40-L51 WeakPolarHBondContact O-CA 3.24Å; L41-L51 HydrophobicContact CB-CD2 4.05Å; L41-L51 HydrophobicContact CD1-CD2 4.13Å; L41-L51 HydrophobicContact CD1-CG 4.46Å
52	F	94.4	Very high	90.8	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	156.3	166.7	50.1	-91.5	0	0	0	110.5	F12 I20 I22 V28 I30 V40 K54 V57	F12-F52 HydrophobicContact CD1-CB 4.13Å; F12-F52 HydrophobicContact CE1-CB 4.38Å; I20-F52 HydrophobicContact CD1-CD1 3.77Å; I20-F52 HydrophobicContact CD1-CE1 3.91Å; I20-F52 HydrophobicContact CG1-CD1 3.73Å; I20-F52 HydrophobicContact CG1-CE1 4.38Å; I22-F52 HydrophobicContact CD1-CB 4.06Å; I22-F52 HydrophobicContact CD1-CD2 3.94Å; I22-F52 HydrophobicContact CD1-CG 4.14Å; I22-F52 HydrophobicContact CG1-CB 4.42Å; I22-F52 HydrophobicContact CG2-CD1 4.3Å; I22-F52 HydrophobicContact CG2-CG 4.3Å; V28-F52 HydrophobicContact CB-CE2 4.46Å; V28-F52 HydrophobicContact CB-CZ 3.98Å; V28-F52 HydrophobicContact CG1-CZ 4.32Å; V28-F52 HydrophobicContact CG2-CE2 4.14Å; V28-F52 HydrophobicContact CG2-CZ 4.07Å; I30-F52 HydrophobicContact CG1-CE2 4.38Å; I30-F52 HydrophobicContact CG1-CZ 4.13Å; V40-F52 HydrophobicContact CG2-CD2 3.5Å; V40-F52 HydrophobicContact CG2-CE2 3.17Å; V40-F52 HydrophobicContact CG2-CG 4.31Å; V40-F52 HydrophobicContact CG2-CZ 3.78Å; V40-F52 PolarHBondContact N-O 3.23Å; V40-F52 PolarHBondContact O-N 3.4Å; V40-F52 VanDerWaalsContact O-N 3.12Å; F52-K54 PolarHBondContact O-N 3.21Å; F52-V57 HydrophobicContact CD2-CG1 3.72Å; F52-V57 HydrophobicContact CD2-CG2 4.33Å; F52-V57 HydrophobicContact CE2-CB 4.35Å; F52-V57 HydrophobicContact CE2-CG1 3.57Å; F52-V57 HydrophobicContact CE2-CG2 3.99Å
53	P	93.5	Very high	88.5	Confident	12 Å²	12	77.6 Å²	77.6	8%	0.078	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.2	-174	-22.2	33.4	0	0	0	112.7	F12 W39 S55 Y56	F12-P53 HydrophobicContact CD2-CG 3.82Å; F12-P53 HydrophobicContact CE2-CG 3.9Å; F12-P53 HydrophobicContact CG-CG 4.27Å; F12-P53 HydrophobicContact CZ-CG 4.4Å; W39-P53 HydrophobicContact CE3-CG 4.2Å; W39-P53 HydrophobicContact CH2-CG 3.89Å; W39-P53 HydrophobicContact CZ2-CG 4.32Å; W39-P53 HydrophobicContact CZ3-CG 3.83Å; P53-S55 PolarHBondContact O-N 2.93Å; P53-Y56 HydrophobicContact CB-CD2 3.69Å; P53-Y56 HydrophobicContact CB-CE2 4.37Å; P53-Y56 HydrophobicContact CB-CG 4.1Å; P53-Y56 HydrophobicContact CG-CD2 4.1Å; P53-Y56 HydrophobicContact CG-CG 4.27Å; P53-Y56 PolarHBondContact O-N 3.14Å
54	K	92.8	Very high	85.8	Confident	71 Å²	71	80 Å²	80	31%	0.309	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-61.4	-33.3	178	-169.5	168.5	-172.4	160.6	0	112.4	E33 G38 V40 F52 Y56 V57	E33-K54 PolarHBondContact O-NZ 3.48Å; E33-K54 IonicContact OE2-NZ 3.64Å; G38-K54 WeakPolarHBondContact O-CB 3.45Å; G38-K54 PolarHBondContact O-N 2.69Å; V40-K54 HydrophobicContact CG1-CB 3.84Å; V40-K54 HydrophobicContact CG1-CD 3.99Å; V40-K54 HydrophobicContact CG1-CG 3.76Å; F52-K54 PolarHBondContact O-N 3.21Å; K54-Y56 PolarHBondContact O-N 3.37Å; K54-V57 WeakPolarHBondContact O-CG2 3.26Å; K54-V57 PolarHBondContact O-N 3.28Å
55	S	92.6	Very high	82.8	Confident	83 Å²	83	87 Å²	87	58%	0.58	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-72.3	-12	178.1	52.7	0	0	0	0	114	P53	P53-S55 PolarHBondContact O-N 2.93Å
56	Y	93.1	Very high	80	Confident	83 Å²	83	87.6 Å²	87.6	33%	0.325	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-93.5	-1.1	-179	-82.1	-126.3	0	0	0	112.5	A8 I9 Y10 T11 F12 P53 K54	A8-Y56 CarbonylContact C-O 3.55Å; A8-Y56 WeakPolarHBondContact CA-O 3.21Å; I9-Y56 WeakPolarHBondContact CG1-O 3.41Å; I9-Y56 PolarHBondContact N-O 3.29Å; Y10-Y56 VanDerWaalsContact CB-CD1 3.45Å; Y10-Y56 HydrophobicContact CD2-CG 4.41Å; Y10-Y56 HydrophobicContact CG-CD1 4.46Å; T11-Y56 WeakPolarHBondContact O-CE1 3.27Å; F12-Y56 HydrophobicContact CB-CD1 3.72Å; F12-Y56 HydrophobicContact CB-CE1 4.09Å; P53-Y56 HydrophobicContact CB-CD2 3.69Å; P53-Y56 HydrophobicContact CB-CE2 4.37Å; P53-Y56 HydrophobicContact CB-CG 4.1Å; P53-Y56 HydrophobicContact CG-CD2 4.1Å; P53-Y56 HydrophobicContact CG-CG 4.27Å; P53-Y56 PolarHBondContact O-N 3.14Å; K54-Y56 PolarHBondContact O-N 3.37Å
57	V	92.4	Very high	76.9	Confident	11 Å²	11	89.7 Å²	89.7	7%	0.067	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.8	-176.6	-65.5	0	0	0	0	111.4	V7 A8 I22 V28 I30 V40 F52 K54	V7-V57 CarbonylContact O-C 3.57Å; V7-V57 WeakPolarHBondContact O-CA 3.42Å; A8-V57 HydrophobicContact CB-CG1 4.34Å; I22-V57 HydrophobicContact CD1-CG1 3.69Å; V28-V57 HydrophobicContact CG2-CB 4.41Å; V28-V57 HydrophobicContact CG2-CG1 3.96Å; I30-V57 HydrophobicContact CD1-CG2 4.25Å; V40-V57 HydrophobicContact CG2-CG2 4.28Å; F52-V57 HydrophobicContact CD2-CG1 3.72Å; F52-V57 HydrophobicContact CD2-CG2 4.33Å; F52-V57 HydrophobicContact CE2-CB 4.35Å; F52-V57 HydrophobicContact CE2-CG1 3.57Å; F52-V57 HydrophobicContact CE2-CG2 3.99Å; K54-V57 WeakPolarHBondContact O-CG2 3.26Å; K54-V57 PolarHBondContact O-N 3.28Å
58	N	93.1	Very high	74.2	Confident	102 Å²	102	93.6 Å²	93.6	55%	0.545	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115	170.7	-172.7	15.6	0	0	0	109.3	G6 V7 I9	G6-N58 CarbonylContact C-O 3.49Å; G6-N58 WeakPolarHBondContact CA-O 3.35Å; V7-N58 PolarHBondContact N-O 3.4Å; V7-N58 PolarHBondContact O-N 3.26Å; I9-N58 HydrophobicContact CG2-CB 3.87Å
59	I	91.1	Very high	71.2	Confident	36 Å²	36	95.7 Å²	95.7	19%	0.185	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.7	-174.3	-53.4	-176.1	0	0	0	110	V4 I30 E33 R61	V4-I59 HydrophobicContact CB-CG2 4.17Å; V4-I59 HydrophobicContact CG1-CG2 3.38Å; I30-I59 HydrophobicContact CD1-CD1 3.82Å; I30-I59 HydrophobicContact CD1-CG1 3.64Å; I30-I59 HydrophobicContact CD1-CG2 4.41Å; E33-I59 HydrophobicContact CG-CD1 4.19Å; I59-R61 HydrophobicContact CG2-CG 4.26Å
60	I	88.7	Confident	68	Low	92 Å²	92	95.2 Å²	95.2	47%	0.472	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	102.6	-179.7	-56	174.3	0	0	0	109	V4 K5 V7	V4-I60 WeakPolarHBondContact CG1-O 3.29Å; K5-I60 PolarHBondContact O-N 3.15Å; V7-I60 HydrophobicContact CG2-CD1 3.89Å
61	R	83.6	Confident	64.8	Low	172 Å²	172	100.4 Å²	100.4	65%	0.649	54%	0.539	S	S	*	.			trans	-95.2	111.8	173.3	-66.1	-176.7	178.4	167.6	-0.3	110.5	V4 E33 I59 R63	V4-R61 HydrophobicContact CG1-CG 4.06Å; E33-R61 IonicContact OE1-CZ 2.82Å; E33-R61 IonicContact OE1-NE 3.15Å; E33-R61 IonicContact OE1-NH2 3.31Å; E33-R61 PolarHBondContact OE1-NH2 3.4Å; E33-R61 IonicContact OE2-CZ 3.07Å; E33-R61 IonicContact OE2-NH2 2.8Å; E33-R61 PolarHBondContact OE2-NH2 2.72Å; I59-R61 HydrophobicContact CG2-CG 4.26Å; R61-R63 PolarHBondContact O-N 3.24Å
62	T	57.6	Low	61.7	Low	127 Å²	127	104.6 Å²	104.6	78%	0.779	57%	0.57	S	S	*	*			trans	-70.2	119.5	166.1	29.6	0	0	0	0	109.5	S64	T62-S64 PolarHBondContact O-N 2.92Å
63	R	46.5	Very low	58.6	Low	255 Å²	255	112.4 Å²	112.4	96%	0.962	61%	0.61	S	S	*	*			trans	-75.6	102.7	180	-157.4	-179.2	-166.1	180	4	109.4	R61	R61-R63 PolarHBondContact O-N 3.24Å
64	S	38.8	Very low	55.5	Low	97 Å²	97	116.8 Å²	116.8	68%	0.678	64%	0.642	S	S	*	*			trans	-153.2	113.6	164.6	37.8	0	0	0	0	111.5	T62	T62-S64 PolarHBondContact O-N 2.92Å
65	D	32	Very low	52.9	Low	154 Å²	154	119.6 Å²	119.6	82%	0.824	67%	0.667	S	S	*	*			trans	70.7	102	153.3	-57.3	-23.2	0	0	0	124.1
66	S	33.8	Very low	49.9	Very low	97 Å²	97	121.8 Å²	121.8	68%	0.678	68%	0.682	S	S	*	*			trans	61.3	118.3	133.8	62.3	0	0	0	0	121.6
67	N	29.1	Very low	46.8	Very low	156 Å²	156	121.5 Å²	121.5	83%	0.834	71%	0.705	S	S	*	*				-157.5	122.7	99.3	-91.2	-25.6	0	0	0	113.9
68	V	32.3	Very low	43.7	Very low	125 Å²	125	127 Å²	127	76%	0.758	74%	0.744	S	S	*	*			trans	-15.8	122.6	159.1	-171.5	0	0	0	0	116.7
69	T	29.6	Very low	40.7	Very low	131 Å²	131	130.7 Å²	130.7	80%	0.804	76%	0.762	S	S	*	*				178.4	102	117.4	25.9	0	0	0	0	108.5
70	D	26.5	Very low	37.7	Very low	161 Å²	161	132.5 Å²	132.5	86%	0.861	79%	0.79	S	S	*	*			trans	-157.6	138.2	134.5	-136.3	-17.6	0	0	0	112.1
71	C	26.8	Very low	34.8	Very low	114 Å²	114	135 Å²	135	77%	0.77	80%	0.804	S	S	*	*			trans	-73.9	129.4	-176.6	-68.1	0	0	0	0	110.3
72	S	27.5	Very low	32.1	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	81%	0.808	S	S	*	*			trans	-129.9	103.3	163	-73.7	0	0	0	0	108.7
73	I	28.9	Very low	30.8	Very low	164 Å²	164	132.7 Å²	132.7	84%	0.841	81%	0.809	S	S	*	*			trans	-78.5	121.8	167.5	-60.7	172.1	0	0	0	106.5
74	S	29.8	Very low	30.4	Very low	105 Å²	105	125.2 Å²	125.2	73%	0.734	79%	0.794	S	S	*	*			trans	-126.4	137.1	157.2	-68.7	0	0	0	0	107.6
75	P	36.7	Very low	29.8	Very low	130 Å²	130	129.1 Å²	129.1	84%	0.844	80%	0.801	S	S	*	*			trans	-83.3	140	-178	29.3	-24.7	0	0	0	111.4
76	S	31.2	Very low	29.5	Very low	129 Å²	129	130 Å²	130	90%	0.902	81%	0.805	S	S	*	*			trans	-60.6	153	175.9	-64	0	0	0	0	114.6
77	G	27.9	Very low	29.3	Very low	77 Å²	77	130.5 Å²	130.5	79%	0.794	81%	0.806	S	S	*	*			trans	153.5	95.1	140.8	0	0	0	0	0	115.9
78	S	27.3	Very low	29	Very low	126 Å²	126	128.1 Å²	128.1	88%	0.881	80%	0.801	S	S	*	*				154.2	144.5	104.1	-156.9	0	0	0	0	113.3
79	L	29.1	Very low	28.7	Very low	179 Å²	179	128.3 Å²	128.3	94%	0.937	80%	0.803	S	S	*	*			trans	-78.5	157.8	-172.1	-71.9	138.6	0	0	0	114.1
80	G	27.3	Very low	28.8	Very low	75 Å²	75	127.4 Å²	127.4	77%	0.773	80%	0.799	S	S	*	*			trans	157.7	82.2	153.6	0	0	0	0	0	118.1
81	N	28.9	Very low	28.8	Very low	144 Å²	144	129.2 Å²	129.2	77%	0.77	80%	0.799	S	S	*	*			trans	41	137.1	139.5	-95.9	36.2	0	0	0	125.9
82	D	27	Very low	28.7	Very low	134 Å²	134	129.8 Å²	129.8	72%	0.717	80%	0.799	S	S	*	*			trans	92.6	103.4	136.1	-65	-31.1	0	0	0	123.4
83	S	29.3	Very low	28.5	Very low	116 Å²	116	129.7 Å²	129.7	81%	0.811	80%	0.799	S	S	*	*			trans	86.2	152.1	131.2	-86.9	0	0	0	0	122.3
84	P	38.5	Very low	28.3	Very low	98 Å²	98	129.3 Å²	129.3	64%	0.636	80%	0.797	S	S	*	*			trans	-119.8	179.5	-141.7	38.9	-22.9	0	0	0	114.5
85	H	25.6	Very low	28.1	Very low	179 Å²	179	131.8 Å²	131.8	83%	0.829	80%	0.802	S	S	*	*			trans	113.8	111.2	160.8	-67.3	-68.9	0	0	0	116.4
86	L	25.9	Very low	27.6	Very low	174 Å²	174	130.9 Å²	130.9	91%	0.911	80%	0.798	S	S	*	*			trans	-140.5	133	140.4	-94.3	163.2	0	0	0	107.9
87	P	29.2	Very low	27.2	Very low	107 Å²	107	128 Å²	128	70%	0.695	79%	0.789	S	S	*	*			trans	-96.2	165.7	175.2	35.8	-29.5	0	0	0	112.7
88	S	23.8	Very low	27.1	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	79%	0.788	S	S	*	*			trans	77	103.4	148.9	29.1	0	0	0	0	120.7
89	T	27	Very low	27.1	Very low	129 Å²	129	133.6 Å²	133.6	79%	0.791	78%	0.784	S	S	*	*				-9.8	159.5	128.4	51	0	0	0	0	117.7
90	P	31.5	Very low	27	Very low	112 Å²	112	134.5 Å²	134.5	73%	0.727	78%	0.776	S	S	*	*			cis	-148.3	168	38.6	36.4	-13.3	0	0	0	119.5
91	K	26.4	Very low	27.1	Very low	200 Å²	200	138.1 Å²	138.1	87%	0.87	78%	0.778	S	S	*	*			trans	-57.5	138.3	160.6	-67.2	174.4	174.7	178.1	0	110.6
92	T	24.7	Very low	27.1	Very low	125 Å²	125	139 Å²	139	77%	0.767	78%	0.777	S	S	*	*			trans	-139.5	113.9	153.7	-40.3	0	0	0	0	108.5
93	S	23.3	Very low	27.3	Very low	115 Å²	115	140.4 Å²	140.4	80%	0.804	79%	0.785	S	S	*	*			trans	-79.2	126.5	168.6	7.9	0	0	0	0	108.8
94	I	23.7	Very low	27.6	Very low	156 Å²	156	145 Å²	145	80%	0.8	79%	0.786	S	S	*	*			trans	-137	131.3	151	-66.4	-174.5	0	0	0	108.4
95	N	25.3	Very low	27.5	Very low	157 Å²	157	148.8 Å²	148.8	84%	0.84	79%	0.789	S	S	*	*			trans	-92.9	128.4	179.4	-169.6	17.3	0	0	0	109.5
96	S	26.4	Very low	28.2	Very low	111 Å²	111	148 Å²	148	78%	0.776	79%	0.791	S	S	*	*			trans	172.2	119.8	158.9	54.3	0	0	0	0	105.5
97	G	23.6	Very low	28.7	Very low	68 Å²	68	146.1 Å²	146.1	70%	0.701	78%	0.782	S	S	*	*			cis	125.1	132.1	38.2	0	0	0	0	0	105.8
98	Q	26.1	Very low	29.2	Very low	165 Å²	165	150 Å²	150	77%	0.771	78%	0.783	S	S	*	*			trans	86.9	89	172.6	-54.1	-169.5	-51.8	0	0	117.5
99	I	26.8	Very low	30.3	Very low	156 Å²	156	151.2 Å²	151.2	80%	0.8	78%	0.781	S	S	*	*			trans	-70.1	127.7	144.9	-68.5	166.5	0	0	0	106.5
100	Y	27.6	Very low	30.9	Very low	198 Å²	198	151.6 Å²	151.6	78%	0.776	78%	0.778	S	S	*	*			trans	-87.2	113.8	160.6	-81.1	-83.8	0	0	0	107.8
101	D	29.3	Very low	31.3	Very low	152 Å²	152	156.2 Å²	156.2	81%	0.813	78%	0.781	S	S	*	*			trans	-61.8	130.7	154.3	-78.1	-45.7	0	0	0	109
102	E	29.2	Very low	32.2	Very low	161 Å²	161	153.8 Å²	153.8	75%	0.752	78%	0.778	S	S	*	*			trans	-147.3	60	167.2	-145.9	174.7	-144.5	0	0	111.2
103	D	31	Very low	33.1	Very low	165 Å²	165	154.1 Å²	154.1	88%	0.882	78%	0.775	S	S	*	*			trans	-108.7	45.7	167.8	-80.2	-25.8	0	0	0	111.3
104	Y	35.4	Very low	33.6	Very low	213 Å²	213	160 Å²	160	84%	0.835	78%	0.779	S	S	*	*			trans	-135.2	44.1	-179.7	-121.7	-88.9	0	0	0	114.1
105	Y	35.1	Very low	34.1	Very low	177 Å²	177	156.7 Å²	156.7	69%	0.694	77%	0.77	S	S	*	*			trans	-149.8	68.2	168.7	-70.9	-73.6	0	0	0	112.8
106	D	41	Very low	34.5	Very low	162 Å²	162	155.9 Å²	155.9	87%	0.866	77%	0.771	S	S	*	*	S	Bend	trans	-142.2	24	169.4	-122.6	-1	0	0	0	115.3
107	D	37.3	Very low	34.8	Very low	135 Å²	135	155.9 Å²	155.9	72%	0.722	77%	0.766	S	S	*	*	S	Bend	trans	-115.2	7.6	175.5	-160.8	36.6	0	0	0	114.6
108	W	38	Very low	35.3	Very low	188 Å²	188	159.4 Å²	159.4	71%	0.712	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-92.6	-0.9	-175.2	-69.6	101	0	0	0	115.3	D110	W108-D110 PolarHBondContact O-N 2.82Å
109	D	46.7	Very low	35.6	Very low	131 Å²	131	158.7 Å²	158.7	70%	0.701	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-83.5	-4.9	-175.5	-98.2	0.9	0	0	0	114.2
110	D	40.5	Very low	35.7	Very low	137 Å²	137	158.8 Å²	158.8	73%	0.733	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-99.9	-10.7	-175.7	-149	32.6	0	0	0	115	W108	W108-D110 PolarHBondContact O-N 2.82Å
111	W	39.6	Very low	35.8	Very low	208 Å²	208	153.6 Å²	153.6	79%	0.788	78%	0.776	S	S	*	*	S	Bend	trans	-101.5	-12.4	-174.8	-78.1	83.3	0	0	0	116.1
112	D	45.5	Very low	35.8	Very low	149 Å²	149	153 Å²	153	80%	0.797	77%	0.773	S	S	*	*	S	Bend	trans	-109.6	16.4	-159.4	-101.9	6.4	0	0	0	117.5
113	D	44.3	Very low	35.9	Very low	132 Å²	132	153.1 Å²	153.1	71%	0.706	77%	0.772	S	S	*	*			trans	-116.7	35.5	177.6	-137.3	-0.5	0	0	0	113.4	S115 K331	D113-S115 PolarHBondContact O-N 2.85Å; D113-K331 IonicContact OD2-NZ 2.59Å; D113-K331 PolarHBondContact OD2-NZ 2.86Å
114	R	32.6	Very low	35.7	Very low	238 Å²	238	150 Å²	150	90%	0.898	76%	0.764	S	S	*	*			trans	-88.6	96.9	167.3	-167	175.8	175.9	-167.7	-2.5	110.1
115	S	34.9	Very low	35.4	Very low	88 Å²	88	146.7 Å²	146.7	62%	0.615	76%	0.76	S	S	*	*			trans	73.5	117.2	156.4	-155.2	0	0	0	0	116.9	D113	D113-S115 PolarHBondContact O-N 2.85Å
116	T	33.7	Very low	34.9	Very low	140 Å²	140	143.8 Å²	143.8	86%	0.859	76%	0.762	S	S	*	*				-152.8	108.8	116.3	22.1	0	0	0	0	109
117	V	32.8	Very low	34.2	Very low	110 Å²	110	140.8 Å²	140.8	67%	0.667	75%	0.753	S	S	*	*			trans	-65.6	138.6	156.2	-150.4	0	0	0	0	107
118	V	34.4	Very low	33.6	Very low	142 Å²	142	139.9 Å²	139.9	86%	0.861	75%	0.752	S	S	*	*			trans	-141.3	110.8	149.1	-92.2	0	0	0	0	107.5
119	D	31.5	Very low	33.1	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	76%	0.759	S	S	*	*			trans	-77.4	159.1	159.2	-84.5	-44.4	0	0	0	109.9
120	D	29.7	Very low	32	Very low	159 Å²	159	134.8 Å²	134.8	85%	0.85	76%	0.762	S	S	*	*			trans	-68.1	159.1	179.4	-74.3	-52.6	0	0	0	115.4
121	A	29.7	Very low	31.4	Very low	89 Å²	89	132.7 Å²	132.7	74%	0.736	76%	0.764	S	S	*	*			trans	81.9	119.9	144.6	0	0	0	0	0	122.7
122	D	28.1	Very low	30.9	Very low	140 Å²	140	130.8 Å²	130.8	75%	0.749	77%	0.769	S	S	*	*			trans	78.8	126.1	130	-85.8	-8	0	0	0	125.9
123	H	31.2	Very low	29.9	Very low	162 Å²	162	126.6 Å²	126.6	75%	0.75	76%	0.761	S	S	*	*			trans	63.8	112.9	139.9	-73.4	-57.1	0	0	0	124.2
124	S	27.6	Very low	29.2	Very low	100 Å²	100	128.5 Å²	128.5	70%	0.699	77%	0.765	S	S	*	*				88.2	137.2	126.5	77.2	0	0	0	0	122.1
125	N	28.1	Very low	28.7	Very low	143 Å²	143	123.6 Å²	123.6	77%	0.765	76%	0.756	S	S	*	*			trans	87.8	103.9	151.3	-72.8	-3.8	0	0	0	122.1
126	T	26	Very low	28.3	Very low	117 Å²	117	127 Å²	127	72%	0.718	76%	0.759	S	S	*	*				47	120	122.7	23.2	0	0	0	0	122.1
127	S	26.1	Very low	27.9	Very low	98 Å²	98	128.4 Å²	128.4	69%	0.685	76%	0.756	S	S	*	*				91.1	126.1	124.7	70.9	0	0	0	0	121.3
128	T	25.2	Very low	27.6	Very low	116 Å²	116	127.6 Å²	127.6	71%	0.712	76%	0.761	S	S	*	*			trans	88.7	113.5	133.2	36.3	0	0	0	0	122
129	T	25.8	Very low	27.5	Very low	139 Å²	139	126.6 Å²	126.6	85%	0.853	76%	0.758	S	S	*	*				78.3	132.4	125.9	51	0	0	0	0	123
130	G	25.4	Very low	27.7	Very low	74 Å²	74	124.9 Å²	124.9	76%	0.763	76%	0.755	S	S	*	*			trans	114.3	95.5	147.3	0	0	0	0	0	113.5
131	A	26.8	Very low	27.6	Very low	93 Å²	93	122.5 Å²	122.5	77%	0.769	75%	0.75	S	S	*	*				103.1	138	52.8	0	0	0	0	0	112.7
132	N	28.7	Very low	27.4	Very low	168 Å²	168	126.3 Å²	126.3	90%	0.898	76%	0.758	S	S	*	*			trans	87	124.4	168.7	-58.9	-11.5	0	0	0	117.7
133	G	26.1	Very low	27.4	Very low	61 Å²	61	126.5 Å²	126.5	63%	0.629	76%	0.759	S	S	*	*			cis	162.8	144.6	-0.2	0	0	0	0	0	112.4
134	H	27.9	Very low	27.4	Very low	172 Å²	172	124.4 Å²	124.4	80%	0.796	76%	0.76	S	S	*	*			trans	69.8	114.3	157	-62.7	-76.7	0	0	0	118.6
135	I	23.7	Very low	27.3	Very low	135 Å²	135	126.9 Å²	126.9	69%	0.692	77%	0.765	S	S	*	*				64.9	112.4	50.5	-46.4	-179.7	0	0	0	114.1
136	F	25.8	Very low	27.4	Very low	158 Å²	158	126.4 Å²	126.4	69%	0.693	77%	0.767	S	S	*	*				165.2	110.3	119.5	-95.1	-78.2	0	0	0	110
137	Q	24.3	Very low	27.3	Very low	171 Å²	171	129.7 Å²	129.7	80%	0.799	77%	0.774	S	S	*	*				70.1	121.2	105.4	-76.9	-174.1	-18.9	0	0	117.1
138	A	28.2	Very low	27.3	Very low	92 Å²	92	136.3 Å²	136.3	76%	0.76	79%	0.786	S	S	*	*			trans	-68	165.5	166.2	0	0	0	0	0	112
139	P	31.4	Very low	27.2	Very low	122 Å²	122	141.1 Å²	141.1	79%	0.792	79%	0.791	S	S	*	*				-154	-154.5	85.3	39.9	-16.2	0	0	0	113
140	P	35.3	Very low	27.2	Very low	114 Å²	114	140.4 Å²	140.4	74%	0.74	79%	0.792	S	S	*	*				-123.3	174.8	-91.5	38.3	-20	0	0	0	115.1
141	S	28.9	Very low	27.1	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	79%	0.792	S	S	*	*			trans	-0.2	131.9	161.1	61	0	0	0	0	121.1
142	N	25.4	Very low	27	Very low	168 Å²	168	146.4 Å²	146.4	90%	0.898	79%	0.794	S	S	*	*			trans	-157.2	131.5	132.5	-120.7	-3.6	0	0	0	112.1
143	N	26.7	Very low	27	Very low	144 Å²	144	145.1 Å²	145.1	77%	0.77	79%	0.792	S	S	*	*			trans	-78	155.5	174.4	-133.7	3.1	0	0	0	109.9
144	P	31.2	Very low	27	Very low	118 Å²	118	147.4 Å²	147.4	77%	0.766	80%	0.799	S	S	*	*				-149.5	156.9	103.1	33.5	-14.3	0	0	0	116.5
145	N	26.2	Very low	27	Very low	152 Å²	152	142.8 Å²	142.8	81%	0.813	80%	0.797	S	S	*	*			trans	-43.1	134.7	170.3	-83.6	-29.4	0	0	0	115.5
146	V	29.3	Very low	27.2	Very low	133 Å²	133	145.5 Å²	145.5	81%	0.806	81%	0.807	S	S	*	*			trans	-145.1	132	149.6	-176.3	0	0	0	0	110.9
147	H	25.3	Very low	27.2	Very low	187 Å²	187	145.8 Å²	145.8	87%	0.866	82%	0.816	S	S	*	*			trans	-53.1	133.6	177.4	-63.6	-39.7	0	0	0	115.3
148	Y	26.7	Very low	27.6	Very low	236 Å²	236	143.3 Å²	143.3	93%	0.925	82%	0.817	S	S	*	*			trans	-92	108.3	165.3	-106.1	-92.3	0	0	0	111.5
149	R	22.7	Very low	27.5	Very low	218 Å²	218	147.7 Å²	147.7	82%	0.823	82%	0.824	S	S	*	*			trans	-82.8	115.2	163.3	-178.3	-179	-169.2	179.8	4.3	107.8	K151	R149-K151 PolarHBondContact O-N 2.88Å
150	S	24.5	Very low	27.4	Very low	124 Å²	124	146.7 Å²	146.7	87%	0.867	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-72.1	117.6	172.8	-162.7	0	0	0	0	109.5
151	K	24.8	Very low	27.1	Very low	175 Å²	175	146.2 Å²	146.2	76%	0.761	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-92	124.1	170.1	-96.9	-175.2	176.5	180	0	108.6	R149	R149-K151 PolarHBondContact O-N 2.88Å
152	S	24.6	Very low	27.3	Very low	117 Å²	117	145.8 Å²	145.8	82%	0.818	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-56.3	134.2	163.4	41.5	0	0	0	0	111.4
153	V	27.6	Very low	27.9	Very low	141 Å²	141	148.7 Å²	148.7	86%	0.855	83%	0.827	S	S	*	*			trans	-119.2	110.9	161.4	179.7	0	0	0	0	107.4
154	S	25.7	Very low	28.7	Very low	110 Å²	110	149.9 Å²	149.9	77%	0.769	83%	0.826	S	S	*	*			trans	-70.3	137.4	170.5	48.5	0	0	0	0	111.5
155	G	28.3	Very low	29.4	Very low	74 Å²	74	147.1 Å²	147.1	76%	0.763	82%	0.818	S	S	*	*			trans	56.8	103.9	134.5	0	0	0	0	0	118.4
156	Q	28	Very low	30.8	Very low	192 Å²	192	141.2 Å²	141.2	90%	0.897	79%	0.789	S	S	*	*			trans	-139.7	103	141.4	-116.5	172	13.9	0	0	109.5	S158	Q156-S158 PolarHBondContact O-N 2.97Å
157	D	27.2	Very low	32.2	Very low	164 Å²	164	138.8 Å²	138.8	88%	0.877	77%	0.77	S	S	*	*			trans	-51.4	118.2	165	-70.3	-52.5	0	0	0	109.8
158	S	31	Very low	34.2	Very low	119 Å²	119	129.9 Å²	129.9	83%	0.832	73%	0.729	S	S	*	*			trans	-103.5	115.4	161	-73.1	0	0	0	0	108.4	Q156	Q156-S158 PolarHBondContact O-N 2.97Å
159	M	27	Very low	36.3	Very low	185 Å²	185	120.3 Å²	120.3	91%	0.911	70%	0.702	S	S	*	*			trans	-38.5	138.6	-175.3	-69.9	169.6	56.8	0	0	115.6	S161	M159-S161 PolarHBondContact O-N 2.94Å
160	A	30.1	Very low	39	Very low	100 Å²	100	117.6 Å²	117.6	83%	0.826	69%	0.691	S	S	*	*			trans	-43.7	119.7	169.9	0	0	0	0	0	113.6
161	S	28.4	Very low	41	Very low	105 Å²	105	114.9 Å²	114.9	73%	0.734	67%	0.667	S	S	*	*			trans	-89	102.7	143.1	178.5	0	0	0	0	106.5	M159 R163	M159-S161 PolarHBondContact O-N 2.94Å; S161-R163 VanDerWaalsContact C-N 3.29Å; S161-R163 PolarHBondContact O-N 2.72Å
162	A	32.7	Very low	42.7	Very low	100 Å²	100	114.8 Å²	114.8	83%	0.826	67%	0.674	S	S	*	*			trans	-60.9	87.9	173.5	0	0	0	0	0	110.2
163	R	39	Very low	45	Very low	228 Å²	228	112.9 Å²	112.9	86%	0.86	66%	0.655	S	S	*	*			trans	-80.2	120.6	158.4	-77.1	-173.3	174.9	-179.4	-0.7	106.4	S161 G165	S161-R163 VanDerWaalsContact C-N 3.29Å; S161-R163 PolarHBondContact O-N 2.72Å; R163-G165 PolarHBondContact O-N 2.78Å
164	K	43.5	Very low	47	Very low	170 Å²	170	114.3 Å²	114.3	74%	0.739	65%	0.645	S	S	*	*			trans	-43.3	105.7	170.7	-145.8	-172.9	-176	-151.4	0	107.5	E501	K164-E501 IonicContact NZ-OE2 3.67Å; K164-E501 PolarHBondContact NZ-OE2 3.13Å; K164-E501 VanDerWaalsContact NZ-OE2 3.14Å
165	G	44.6	Very low	49	Very low	59 Å²	59	116.5 Å²	116.5	61%	0.608	64%	0.641	S	S	*	*			trans	-65.8	136.2	173.9	0	0	0	0	0	108.2	R163 M167	R163-G165 PolarHBondContact O-N 2.78Å; G165-M167 PolarHBondContact O-N 3.3Å
166	S	56.5	Low	51.5	Low	29 Å²	29	113.6 Å²	113.6	20%	0.203	61%	0.609	C	S	.	*			trans	-50	123.9	170.5	165.9	0	0	0	0	109.1	V168	S166-V168 PolarHBondContact O-N 3.03Å; S166-V168 PolarHBondContact OG-N 3.11Å; S166-V168 PolarHBondContact OG-O 3.49Å
167	M	58.9	Low	53.9	Low	81 Å²	81	105.1 Å²	105.1	40%	0.399	57%	0.571	S	S	.	*	S	Bend	trans	-68.3	-23.6	179.6	-69.9	-173	-80.7	0	0	111.9	G165 M491 M497 E501	G165-M167 PolarHBondContact O-N 3.3Å; M167-M491 VanDerWaalsContact O-SD 3.34Å; M167-M497 HydrophobicContact CE-CB 4.48Å; M167-M497 HydrophobicContact CE-CG 4.13Å; M167-E501 VanDerWaalsContact CE-CD 3.49Å; M167-E501 WeakPolarHBondContact CE-OE1 3.25Å; M167-E501 WeakPolarHBondContact CE-OE2 3.48Å
168	V	65.7	Low	56.7	Low	1 Å²	1	97.4 Å²	97.4	1%	0.006	53%	0.529	C	S	.	.	S	Bend	trans	-79	130.7	169.3	-178.7	0	0	0	0	108.9	S166 L188 K484 E487 M491 M497 I505	S166-V168 PolarHBondContact O-N 3.03Å; S166-V168 PolarHBondContact OG-N 3.11Å; S166-V168 PolarHBondContact OG-O 3.49Å; V168-L188 HydrophobicContact CB-CD2 3.87Å; V168-L188 HydrophobicContact CG1-CD2 3.95Å; V168-K484 HydrophobicContact CG1-CD 3.63Å; V168-E487 HydrophobicContact CG1-CB 4.26Å; V168-E487 HydrophobicContact CG1-CG 3.94Å; V168-E487 WeakPolarHBondContact CG1-OE2 3.46Å; V168-M491 HydrophobicContact CG2-SD 4.15Å; V168-M497 HydrophobicContact CG2-CE 3.89Å; V168-M497 HydrophobicContact CG2-SD 3.76Å; V168-I505 HydrophobicContact CG2-CD1 3.76Å
169	G	71.3	Confident	59.1	Low	35 Å²	35	93.5 Å²	93.5	36%	0.361	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-61.9	142.3	-176.5	0	0	0	0	0	111.2	K484 E487	G169-K484 PolarHBondContact O-NZ 3.29Å; G169-E487 PolarHBondContact N-OE1 2.97Å; G169-E487 VanDerWaalsContact N-OE1 3.11Å
170	R	79.5	Confident	61.8	Low	160 Å²	160	93.5 Å²	93.5	60%	0.604	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-77.4	150.4	171.1	-71.2	-175	174.6	164.1	-0.8	110.5	L172 L188 D190	R170-L172 PolarHBondContact O-N 2.86Å; R170-L188 HydrophobicContact CG-CD1 4.12Å; R170-D190 IonicContact CZ-OD2 2.87Å; R170-D190 IonicContact NE-OD2 3.62Å; R170-D190 IonicContact NH2-OD2 3.44Å; R170-D190 PolarHBondContact NH2-OD2 2.93Å
171	N	66.3	Low	64.4	Low	67 Å²	67	89.6 Å²	89.6	36%	0.358	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-63.4	130.3	175.1	-164	-20.7	0	0	0	110	N173 V179 E184	N171-N173 VanDerWaalsContact C-N 3.26Å; N171-N173 PolarHBondContact O-N 2.92Å; N171-N173 PolarHBondContact OD1-N 3.31Å; N171-N173 VanDerWaalsContact OD1-N 3.13Å; N171-V179 HydrophobicContact CB-CG2 3.89Å; N171-E184 WeakPolarHBondContact CB-OE1 3.44Å; N171-E184 PolarHBondContact N-OE1 2.86Å
172	L	62	Low	67.2	Low	173 Å²	173	85.4 Å²	85.4	91%	0.906	43%	0.43	S	S	*	.	S	Bend	trans	-70.2	-27.2	-179.8	-62.6	172.4	0	0	0	111.3	R170 R174	R170-L172 PolarHBondContact O-N 2.86Å; L172-R174 PolarHBondContact O-N 3.41Å; L172-R174 VanDerWaalsContact O-N 3.15Å
173	N	72.8	Confident	69.9	Low	78 Å²	78	80.6 Å²	80.6	42%	0.417	39%	0.391	S	S	.	.			trans	-84.9	87.8	177.5	-172.4	0.7	0	0	0	111.9	N171 F175 S176 V179	N171-N173 VanDerWaalsContact C-N 3.26Å; N171-N173 PolarHBondContact O-N 2.92Å; N171-N173 PolarHBondContact OD1-N 3.31Å; N171-N173 VanDerWaalsContact OD1-N 3.13Å; N173-F175 PolarHBondContact O-N 2.88Å; N173-F175 VanDerWaalsContact O-N 3.11Å; N173-F175 PolarHBondContact OD1-N 3.18Å; N173-F175 VanDerWaalsContact OD1-N 3.09Å; N173-S176 WeakPolarHBondContact O-CB 3.4Å; N173-S176 PolarHBondContact O-N 3Å; N173-S176 VanDerWaalsContact O-N 3.13Å; N173-S176 PolarHBondContact O-OG 2.7Å; N173-S176 PolarHBondContact OD1-N 2.71Å; N173-V179 WeakPolarHBondContact O-CG2 3.41Å
174	R	68.1	Low	72.5	Confident	171 Å²	171	70.3 Å²	70.3	65%	0.645	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.4	176.3	70.9	-177.4	-66.8	-165.4	-0.6	114.8	L172	L172-R174 PolarHBondContact O-N 3.41Å; L172-R174 VanDerWaalsContact O-N 3.15Å
175	F	68.2	Low	74.7	Confident	156 Å²	156	63.8 Å²	63.8	68%	0.684	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-7.3	-179.2	-59.4	-74.4	0	0	0	113.2	N173	N173-F175 PolarHBondContact O-N 2.88Å; N173-F175 VanDerWaalsContact O-N 3.11Å; N173-F175 PolarHBondContact OD1-N 3.18Å; N173-F175 VanDerWaalsContact OD1-N 3.09Å
176	S	80.4	Confident	77.1	Confident	12 Å²	12	61.4 Å²	61.4	8%	0.084	30%	0.303	C	S	.	.	S	Bend	trans	-60.6	146.7	174.9	65.5	0	0	0	0	111.2	N173 F178 V179 R180	N173-S176 WeakPolarHBondContact O-CB 3.4Å; N173-S176 PolarHBondContact O-N 3Å; N173-S176 VanDerWaalsContact O-N 3.13Å; N173-S176 PolarHBondContact O-OG 2.7Å; N173-S176 PolarHBondContact OD1-N 2.71Å; S176-F178 PolarHBondContact O-N 2.98Å; S176-V179 PolarHBondContact O-N 3.01Å; S176-V179 VanDerWaalsContact O-N 3.08Å; S176-V179 VanDerWaalsContact OG-CG2 3.28Å; S176-V179 WeakPolarHBondContact OG-CG2 3.47Å; S176-V179 PolarHBondContact OG-N 3.16Å; S176-R180 WeakPolarHBondContact O-CB 3.37Å; S176-R180 PolarHBondContact O-N 3.23Å
177	S	79.4	Confident	78.8	Confident	15 Å²	15	60 Å²	60	11%	0.105	29%	0.293	C	S	.	.	H	α-helix	trans	-58.9	-30.8	176	45.5	0	0	0	0	112	V179 S181 D473 L477	S177-V179 PolarHBondContact O-N 2.61Å; S177-S181 WeakPolarHBondContact O-CB 3.5Å; S177-S181 PolarHBondContact O-N 3.5Å; S177-S181 PolarHBondContact O-OG 3.11Å; S177-D473 VanDerWaalsContact CB-OD1 3.26Å; S177-D473 WeakPolarHBondContact CB-OD1 3.36Å; S177-D473 PolarHBondContact OG-OD1 3.39Å; S177-L477 VanDerWaalsContact C-CD2 3.44Å; S177-L477 VanDerWaalsContact O-CD2 3.26Å; S177-L477 WeakPolarHBondContact O-CD2 3.5Å
178	F	86.1	Confident	80.4	Confident	1 Å²	1	56.8 Å²	56.8	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-40.8	174	-175.9	-122.6	0	0	0	113.6	S176 S181 V183 E184 L477 A481 K484	S176-F178 PolarHBondContact O-N 2.98Å; F178-S181 PolarHBondContact O-OG 3.16Å; F178-V183 HydrophobicContact CD2-CB 4.13Å; F178-V183 HydrophobicContact CD2-CG1 4.11Å; F178-V183 HydrophobicContact CE2-CB 4.2Å; F178-V183 HydrophobicContact CE2-CG1 3.8Å; F178-V183 PolarHBondContact O-N 3.39Å; F178-E184 HydrophobicContact CD1-CB 3.77Å; F178-E184 HydrophobicContact CD1-CG 4.21Å; F178-E184 HydrophobicContact CE1-CB 3.42Å; F178-E184 VanDerWaalsContact CE1-CB 3.42Å; F178-E184 HydrophobicContact CE1-CG 3.55Å; F178-E184 HydrophobicContact CE2-CB 4.31Å; F178-E184 HydrophobicContact CG-CB 4.35Å; F178-E184 HydrophobicContact CZ-CB 3.73Å; F178-E184 HydrophobicContact CZ-CG 4.04Å; F178-E184 PolarHBondContact O-N 3.23Å; F178-L477 VanDerWaalsContact CA-CD2 3.49Å; F178-L477 HydrophobicContact CB-CD2 4.36Å; F178-L477 WeakPolarHBondContact CD2-O 3.24Å; F178-L477 WeakPolarHBondContact CE2-O 3.42Å; F178-A481 HydrophobicContact CE2-CB 4.38Å; F178-K484 HydrophobicContact CE1-CG 4.23Å; F178-K484 HydrophobicContact CZ-CG 4.1Å
179	V	80.3	Confident	81.5	Confident	38 Å²	38	58.6 Å²	58.6	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-79.6	-48.2	176.9	179.6	0	0	0	0	110.9	N171 N173 S176 S177 S181 G182 E184	N171-V179 HydrophobicContact CB-CG2 3.89Å; N173-V179 WeakPolarHBondContact O-CG2 3.41Å; S176-V179 PolarHBondContact O-N 3.01Å; S176-V179 VanDerWaalsContact O-N 3.08Å; S176-V179 VanDerWaalsContact OG-CG2 3.28Å; S176-V179 WeakPolarHBondContact OG-CG2 3.47Å; S176-V179 PolarHBondContact OG-N 3.16Å; S177-V179 PolarHBondContact O-N 2.61Å; V179-S181 VanDerWaalsContact C-N 3.31Å; V179-S181 PolarHBondContact O-N 3.37Å; V179-G182 WeakPolarHBondContact O-CA 3.36Å; V179-G182 PolarHBondContact O-N 3.45Å; V179-E184 WeakPolarHBondContact CG2-OE2 3.46Å
180	R	84.6	Confident	82.4	Confident	185 Å²	185	59.8 Å²	59.8	70%	0.698	29%	0.294	S	S	*	.	H	α-helix	trans	-63.2	-34.3	-176.2	-174.4	178.2	64.8	176.4	-3.2	113.2	S176 G182	S176-R180 WeakPolarHBondContact O-CB 3.37Å; S176-R180 PolarHBondContact O-N 3.23Å; R180-G182 PolarHBondContact O-N 2.87Å
181	S	83.9	Confident	82.8	Confident	18 Å²	18	53.1 Å²	53.1	13%	0.126	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.3	174.4	60.9	0	0	0	0	113.3	S177 F178 V179 V183 G344 A345 L477	S177-S181 WeakPolarHBondContact O-CB 3.5Å; S177-S181 PolarHBondContact O-N 3.5Å; S177-S181 PolarHBondContact O-OG 3.11Å; F178-S181 PolarHBondContact O-OG 3.16Å; V179-S181 VanDerWaalsContact C-N 3.31Å; V179-S181 PolarHBondContact O-N 3.37Å; S181-V183 PolarHBondContact O-N 2.98Å; S181-V183 WeakPolarHBondContact OG-CG2 3.39Å; S181-V183 PolarHBondContact OG-N 3.09Å; S181-G344 CarbonylContact O-C 3.59Å; S181-G344 WeakPolarHBondContact O-CA 3.41Å; S181-A345 PolarHBondContact O-N 3.45Å; S181-L477 VanDerWaalsContact OG-CD2 3.25Å; S181-L477 WeakPolarHBondContact OG-CD2 3.43Å
182	G	87.1	Confident	83.7	Confident	16 Å²	16	53.8 Å²	53.8	17%	0.165	28%	0.28	C	S	.	.	S	Bend	trans	74.4	6.9	-173.2	0	0	0	0	0	114.3	V179 R180 E184 A185 F186 A345	V179-G182 WeakPolarHBondContact O-CA 3.36Å; V179-G182 PolarHBondContact O-N 3.45Å; R180-G182 PolarHBondContact O-N 2.87Å; G182-E184 VanDerWaalsContact C-N 3.27Å; G182-E184 PolarHBondContact O-N 3.14Å; G182-A185 PolarHBondContact O-N 3.19Å; G182-F186 PolarHBondContact O-N 3.46Å; G182-A345 WeakPolarHBondContact O-CB 3.4Å
183	V	90.4	Very high	84.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-34.1	177.1	176.8	0	0	0	0	111.5	F178 S181 F186 V187 M348 L477 V512	F178-V183 HydrophobicContact CD2-CB 4.13Å; F178-V183 HydrophobicContact CD2-CG1 4.11Å; F178-V183 HydrophobicContact CE2-CB 4.2Å; F178-V183 HydrophobicContact CE2-CG1 3.8Å; F178-V183 PolarHBondContact O-N 3.39Å; S181-V183 PolarHBondContact O-N 2.98Å; S181-V183 WeakPolarHBondContact OG-CG2 3.39Å; S181-V183 PolarHBondContact OG-N 3.09Å; V183-F186 PolarHBondContact O-N 2.72Å; V183-V187 HydrophobicContact CG1-CG2 4.07Å; V183-V187 WeakPolarHBondContact O-CB 3.3Å; V183-V187 VanDerWaalsContact O-CG2 3.28Å; V183-V187 WeakPolarHBondContact O-CG2 3.44Å; V183-V187 PolarHBondContact O-N 3.35Å; V183-M348 HydrophobicContact CG2-CE 3.95Å; V183-L477 HydrophobicContact CG1-CB 4.43Å; V183-L477 HydrophobicContact CG2-CB 4.44Å; V183-L477 HydrophobicContact CG2-CD1 4Å; V183-L477 HydrophobicContact CG2-CD2 4.48Å; V183-V512 HydrophobicContact CG1-CG1 4.21Å; V183-V512 HydrophobicContact CG1-CG2 3.82Å
184	E	92.4	Very high	84.5	Confident	11 Å²	11	51.9 Å²	51.9	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-57.9	-50.8	172.1	-174.1	174.6	-135.4	0	0	111.7	N171 F178 V179 G182 F186 V187 L188 K484	N171-E184 WeakPolarHBondContact CB-OE1 3.44Å; N171-E184 PolarHBondContact N-OE1 2.86Å; F178-E184 HydrophobicContact CD1-CB 3.77Å; F178-E184 HydrophobicContact CD1-CG 4.21Å; F178-E184 HydrophobicContact CE1-CB 3.42Å; F178-E184 VanDerWaalsContact CE1-CB 3.42Å; F178-E184 HydrophobicContact CE1-CG 3.55Å; F178-E184 HydrophobicContact CE2-CB 4.31Å; F178-E184 HydrophobicContact CG-CB 4.35Å; F178-E184 HydrophobicContact CZ-CB 3.73Å; F178-E184 HydrophobicContact CZ-CG 4.04Å; F178-E184 PolarHBondContact O-N 3.23Å; V179-E184 WeakPolarHBondContact CG2-OE2 3.46Å; G182-E184 VanDerWaalsContact C-N 3.27Å; G182-E184 PolarHBondContact O-N 3.14Å; E184-F186 VanDerWaalsContact C-N 3.27Å; E184-F186 PolarHBondContact O-N 3.19Å; E184-V187 PolarHBondContact O-N 3.27Å; E184-V187 VanDerWaalsContact O-N 3.17Å; E184-L188 HydrophobicContact CG-CD1 3.85Å; E184-L188 HydrophobicContact CG-CG 4.28Å; E184-L188 WeakPolarHBondContact O-CB 3.35Å; E184-L188 WeakPolarHBondContact O-CG 3.13Å; E184-L188 PolarHBondContact O-N 2.88Å; E184-K484 WeakPolarHBondContact OE1-CE 3.5Å; E184-K484 IonicContact OE1-NZ 3.61Å
185	A	91.1	Very high	84.4	Confident	34 Å²	34	49.3 Å²	49.3	28%	0.281	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-39.6	178.9	0	0	0	0	0	111.3	G182 G189 D190 V191	G182-A185 PolarHBondContact O-N 3.19Å; A185-G189 PolarHBondContact O-N 3.37Å; A185-G189 VanDerWaalsContact O-N 3.09Å; A185-D190 HydrophobicContact CB-CB 4.17Å; A185-D190 PolarHBondContact O-N 3.33Å; A185-V191 HydrophobicContact CB-CG2 4.19Å
186	F	93.4	Very high	84.8	Confident	8 Å²	8	50.6 Å²	50.6	4%	0.035	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-52.6	173.4	171.8	-109	0	0	0	111.2	G182 V183 E184 L188 G189 V191 A345 M348 L349 R508 T511 V512	G182-F186 PolarHBondContact O-N 3.46Å; V183-F186 PolarHBondContact O-N 2.72Å; E184-F186 VanDerWaalsContact C-N 3.27Å; E184-F186 PolarHBondContact O-N 3.19Å; F186-L188 VanDerWaalsContact C-N 3.29Å; F186-L188 PolarHBondContact O-N 2.77Å; F186-G189 PolarHBondContact O-N 2.74Å; F186-V191 VanDerWaalsContact CA-CG2 3.46Å; F186-V191 HydrophobicContact CB-CG2 3.95Å; F186-A345 HydrophobicContact CB-CB 4.24Å; F186-M348 HydrophobicContact CD1-CB 3.72Å; F186-M348 HydrophobicContact CD1-CG 3.77Å; F186-M348 HydrophobicContact CD2-CB 3.67Å; F186-M348 HydrophobicContact CD2-CG 4.4Å; F186-M348 HydrophobicContact CE1-CB 3.61Å; F186-M348 HydrophobicContact CE1-CG 4Å; F186-M348 HydrophobicContact CE2-CB 3.59Å; F186-M348 HydrophobicContact CG-CB 3.74Å; F186-M348 HydrophobicContact CG-CG 3.97Å; F186-M348 HydrophobicContact CZ-CB 3.55Å; F186-M348 HydrophobicContact CZ-CG 4.44Å; F186-L349 HydrophobicContact CD2-CD2 4.14Å; F186-L349 HydrophobicContact CE2-CD2 3.77Å; F186-R508 HydrophobicContact CD1-CB 4.28Å; F186-R508 HydrophobicContact CE1-CB 3.77Å; F186-R508 HydrophobicContact CE1-CG 4.35Å; F186-R508 WeakPolarHBondContact CE1-O 3.13Å; F186-R508 HydrophobicContact CE2-CB 4.49Å; F186-R508 HydrophobicContact CE2-CG 4.22Å; F186-R508 HydrophobicContact CZ-CB 3.89Å; F186-R508 HydrophobicContact CZ-CG 3.96Å; F186-R508 WeakPolarHBondContact O-CD 3.44Å; F186-R508 PolarHBondContact O-NE 3.06Å; F186-T511 HydrophobicContact CE1-CG2 4.35Å; F186-T511 HydrophobicContact CZ-CG2 4.08Å; F186-V512 HydrophobicContact CD1-CG2 4.04Å; F186-V512 HydrophobicContact CE1-CG2 3.98Å
187	V	93.1	Very high	84.8	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-39.3	-178.5	170.6	0	0	0	0	111.5	V183 E184 G189 A481 K484 I505 R508 V512	V183-V187 HydrophobicContact CG1-CG2 4.07Å; V183-V187 WeakPolarHBondContact O-CB 3.3Å; V183-V187 VanDerWaalsContact O-CG2 3.28Å; V183-V187 WeakPolarHBondContact O-CG2 3.44Å; V183-V187 PolarHBondContact O-N 3.35Å; E184-V187 PolarHBondContact O-N 3.27Å; E184-V187 VanDerWaalsContact O-N 3.17Å; V187-G189 VanDerWaalsContact C-N 3.26Å; V187-G189 PolarHBondContact O-N 2.9Å; V187-A481 HydrophobicContact CG2-CB 3.81Å; V187-K484 HydrophobicContact CG1-CB 3.94Å; V187-K484 HydrophobicContact CG1-CG 4.5Å; V187-I505 HydrophobicContact CG1-CG2 3.76Å; V187-R508 VanDerWaalsContact O-CZ 3.24Å; V187-R508 PolarHBondContact O-NE 3.34Å; V187-R508 PolarHBondContact O-NH2 3.37Å; V187-V512 HydrophobicContact CG2-CG2 4.24Å
188	L	91.9	Very high	84.9	Confident	14 Å²	14	57 Å²	57	7%	0.073	33%	0.332	C	S	.	.	H	α-helix	trans	-73.6	-14.5	176.4	-65.8	-179.9	0	0	0	113.9	V168 R170 E184 F186 K484 I505 R508	V168-L188 HydrophobicContact CB-CD2 3.87Å; V168-L188 HydrophobicContact CG1-CD2 3.95Å; R170-L188 HydrophobicContact CG-CD1 4.12Å; E184-L188 HydrophobicContact CG-CD1 3.85Å; E184-L188 HydrophobicContact CG-CG 4.28Å; E184-L188 WeakPolarHBondContact O-CB 3.35Å; E184-L188 WeakPolarHBondContact O-CG 3.13Å; E184-L188 PolarHBondContact O-N 2.88Å; F186-L188 VanDerWaalsContact C-N 3.29Å; F186-L188 PolarHBondContact O-N 2.77Å; L188-K484 HydrophobicContact CD2-CD 4.21Å; L188-I505 HydrophobicContact CD2-CD1 4.2Å; L188-R508 PolarHBondContact O-NH2 2.85Å
189	G	89.6	Confident	85	Confident	38 Å²	38	58.9 Å²	58.9	39%	0.392	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	17.6	-178.8	0	0	0	0	0	113.5	A185 F186 V187 V191 R508	A185-G189 PolarHBondContact O-N 3.37Å; A185-G189 VanDerWaalsContact O-N 3.09Å; F186-G189 PolarHBondContact O-N 2.74Å; V187-G189 VanDerWaalsContact C-N 3.26Å; V187-G189 PolarHBondContact O-N 2.9Å; G189-V191 PolarHBondContact O-N 2.73Å; G189-R508 VanDerWaalsContact CA-CZ 3.45Å
190	D	89.8	Confident	85.6	Confident	60 Å²	60	60 Å²	60	32%	0.321	35%	0.351	S	S	.	.			trans	-79.2	-7.3	177.8	-71.7	-22.2	0	0	0	112.6	R170 A185 P192	R170-D190 IonicContact CZ-OD2 2.87Å; R170-D190 IonicContact NE-OD2 3.62Å; R170-D190 IonicContact NH2-OD2 3.44Å; R170-D190 PolarHBondContact NH2-OD2 2.93Å; A185-D190 HydrophobicContact CB-CB 4.17Å; A185-D190 PolarHBondContact O-N 3.33Å; D190-P192 WeakPolarHBondContact O-CD 3.39Å
191	V	87.7	Confident	86.1	Confident	20 Å²	20	51.7 Å²	51.7	12%	0.121	32%	0.319	C	S	.	.	S	Bend	trans	-80.6	117.8	178.4	-179.1	0	0	0	0	109.5	A185 F186 G189 M193 A345 H346 L349	A185-V191 HydrophobicContact CB-CG2 4.19Å; F186-V191 VanDerWaalsContact CA-CG2 3.46Å; F186-V191 HydrophobicContact CB-CG2 3.95Å; G189-V191 PolarHBondContact O-N 2.73Å; V191-M193 PolarHBondContact O-N 2.85Å; V191-A345 HydrophobicContact CG2-CB 3.6Å; V191-H346 VanDerWaalsContact CG1-CD2 3.47Å; V191-H346 WeakPolarHBondContact CG1-CD2 3.41Å; V191-L349 HydrophobicContact CG1-CD1 3.88Å; V191-L349 HydrophobicContact CG1-CG 4.47Å
192	P	84.8	Confident	86.7	Confident	82 Å²	82	52.8 Å²	52.8	53%	0.532	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-60.3	134.5	178.4	-22.5	34.2	0	0	0	111.9	D190 M194	D190-P192 WeakPolarHBondContact O-CD 3.39Å; P192-M194 PolarHBondContact O-N 2.64Å
193	M	77.1	Confident	87.3	Confident	150 Å²	150	52.2 Å²	52.2	74%	0.739	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-66.2	127	170.6	-100.8	-90.2	149.2	0	0	110	V191 L349	V191-M193 PolarHBondContact O-N 2.85Å; M193-L349 HydrophobicContact CE-CD2 4.12Å
194	M	75.8	Confident	87.6	Confident	61 Å²	61	55.8 Å²	55.8	30%	0.3	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-84.2	139.4	176.5	-74.5	-77	152.8	0	0	110.3	P192 K196 I197 M342	P192-M194 PolarHBondContact O-N 2.64Å; M194-K196 PolarHBondContact O-N 3.19Å; M194-I197 HydrophobicContact CB-CG1 4.42Å; M194-M342 HydrophobicContact CG-SD 4.33Å
195	A	65.7	Low	87.7	Confident	117 Å²	117	58.2 Å²	58.2	97%	0.967	35%	0.347	S	S	*	.	S	Bend	trans	-67	-21.6	-177.8	0	0	0	0	0	113.7
196	K	75.3	Confident	87.8	Confident	183 Å²	183	57.6 Å²	57.6	80%	0.796	34%	0.344	S	S	*	.			trans	-147	117.6	177	-169.4	177.6	-179.1	-178	0	110.3	M194	M194-K196 PolarHBondContact O-N 3.19Å
197	I	82.1	Confident	87.8	Confident	62 Å²	62	63.1 Å²	63.1	32%	0.318	38%	0.383	S	S	.	.			trans	-101.4	108.8	171.2	-61.9	173	0	0	0	106.6	M194 E199 M342 L349 T350	M194-I197 HydrophobicContact CB-CG1 4.42Å; I197-E199 WeakPolarHBondContact CG2-O 3.35Å; I197-M342 HydrophobicContact CG1-CE 4.38Å; I197-M342 HydrophobicContact CG2-CE 4.32Å; I197-L349 HydrophobicContact CD1-CB 3.95Å; I197-T350 HydrophobicContact CG2-CG2 4.23Å
198	A	81.4	Confident	87.6	Confident	99 Å²	99	69.8 Å²	69.8	82%	0.818	42%	0.419	S	S	*	.			trans	-85	-25.9	-174.3	0	0	0	0	0	113.4
199	E	87.8	Confident	87.7	Confident	40 Å²	40	69.8 Å²	69.8	19%	0.187	42%	0.422	C	S	.	.			trans	-109.9	143.3	179.4	68.3	-175.2	152.8	0	0	110.7	I197 Y201 K269 M342 T350	I197-E199 WeakPolarHBondContact CG2-O 3.35Å; E199-Y201 HydrophobicContact CB-CE2 4.47Å; E199-Y201 HydrophobicContact CG-CE2 4.15Å; E199-Y201 PolarHBondContact OE2-OH 3.46Å; E199-K269 WeakPolarHBondContact OE1-CE 3.21Å; E199-K269 IonicContact OE1-NZ 3.51Å; E199-K269 PolarHBondContact OE1-NZ 3.2Å; E199-K269 WeakPolarHBondContact OE2-CE 3.47Å; E199-K269 IonicContact OE2-NZ 2.66Å; E199-K269 PolarHBondContact OE2-NZ 3.42Å; E199-M342 VanDerWaalsContact OE1-CB 3.22Å; E199-M342 WeakPolarHBondContact OE1-CB 3.41Å; E199-T350 HydrophobicContact CG-CG2 3.64Å
200	S	92.6	Very high	88.1	Confident	63 Å²	63	68 Å²	68	44%	0.441	40%	0.403	S	S	.	.			trans	-143.2	132.5	174.1	66.5	0	0	0	0	111.3	T350	S200-T350 CarbonylContact C-O 3.56Å; S200-T350 VanDerWaalsContact CA-O 3.26Å; S200-T350 WeakPolarHBondContact CA-O 3.36Å
201	Y	95.4	Very high	88.5	Confident	10 Å²	10	67.4 Å²	67.4	4%	0.039	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124	175.9	-53.2	-80.3	0	0	0	109.2	E199 F270 V311 Q314 F347 T350 L351 Q352	E199-Y201 HydrophobicContact CB-CE2 4.47Å; E199-Y201 HydrophobicContact CG-CE2 4.15Å; E199-Y201 PolarHBondContact OE2-OH 3.46Å; Y201-F270 HydrophobicContact CE2-CE1 4.48Å; Y201-V311 HydrophobicContact CD1-CB 4.1Å; Y201-V311 HydrophobicContact CD1-CG1 3.62Å; Y201-V311 HydrophobicContact CD1-CG2 4.08Å; Y201-V311 HydrophobicContact CD2-CG1 4.28Å; Y201-V311 HydrophobicContact CE1-CB 4.4Å; Y201-V311 HydrophobicContact CE1-CG1 3.65Å; Y201-V311 HydrophobicContact CE2-CG1 4.34Å; Y201-V311 HydrophobicContact CG-CG1 3.94Å; Y201-V311 HydrophobicContact CG-CG2 4.27Å; Y201-Q314 HydrophobicContact CE1-CB 4.19Å; Y201-F347 AromaticContact CD2-CE2 3.72Å; Y201-F347 HydrophobicContact CD2-CE2 3.72Å; Y201-F347 HydrophobicContact CD2-CZ 4.46Å; Y201-F347 HydrophobicContact CE2-CD2 4.4Å; Y201-F347 AromaticContact CE2-CE2 3.76Å; Y201-F347 HydrophobicContact CE2-CE2 3.76Å; Y201-T350 WeakPolarHBondContact CD2-OG1 3.48Å; Y201-T350 PolarHBondContact N-O 3.36Å; Y201-L351 WeakPolarHBondContact O-CA 3.49Å; Y201-Q352 PolarHBondContact O-N 3.49Å
202	T	97.3	Very high	88.9	Confident	41 Å²	41	67.1 Å²	67.1	25%	0.252	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.4	-175.2	-48.9	0	0	0	0	110.9	K213 Q352	T202-K213 HydrophobicContact CG2-CB 4.45Å; T202-K213 HydrophobicContact CG2-CD 4.16Å; T202-K213 VanDerWaalsContact O-CB 3.25Å; T202-K213 WeakPolarHBondContact O-CB 3.43Å; T202-K213 PolarHBondContact O-N 2.86Å; T202-Q352 HydrophobicContact CG2-CB 4.36Å; T202-Q352 PolarHBondContact OG1-OE1 2.94Å
203	I	98.1	Very high	89.6	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.021	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.6	167.9	-61.9	165.9	0	0	0	107	P210 Q211 W212 Q352 I353 P354 F514 A515 A518	I203-P210 HydrophobicContact CG2-CB 4Å; I203-Q211 WeakPolarHBondContact CA-O 3.43Å; I203-W212 HydrophobicContact CD1-CE3 4.25Å; I203-W212 HydrophobicContact CD1-CH2 4.01Å; I203-W212 HydrophobicContact CD1-CZ3 3.64Å; I203-W212 HydrophobicContact CG1-CD2 4.48Å; I203-W212 HydrophobicContact CG1-CE3 3.55Å; I203-W212 HydrophobicContact CG1-CH2 4.22Å; I203-W212 HydrophobicContact CG1-CZ3 3.4Å; I203-Q352 PolarHBondContact N-O 3.4Å; I203-I353 HydrophobicContact CD1-CG2 4.28Å; I203-P354 HydrophobicContact CG2-CG 4.45Å; I203-P354 WeakPolarHBondContact O-CD 3.47Å; I203-P354 WeakPolarHBondContact O-CG 3.42Å; I203-F514 HydrophobicContact CD1-CB 4.01Å; I203-F514 HydrophobicContact CG2-CB 4.36Å; I203-F514 HydrophobicContact CG2-CD1 4.4Å; I203-A515 HydrophobicContact CD1-CB 4.1Å; I203-A518 HydrophobicContact CD1-CB 4.37Å; I203-A518 HydrophobicContact CG1-CB 4.18Å; I203-A518 HydrophobicContact CG2-CB 4.08Å
204	E	96.6	Very high	90.5	Very high	75 Å²	75	64.4 Å²	64.4	35%	0.35	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	164.8	178.8	64.2	-179.3	-158.9	0	0	110.7	P210 Q211 K213	E204-P210 WeakPolarHBondContact O-CA 3.36Å; E204-Q211 HydrophobicContact CG-CG 3.88Å; E204-Q211 PolarHBondContact N-O 3.34Å; E204-Q211 PolarHBondContact O-N 3.24Å; E204-Q211 PolarHBondContact OE1-NE2 2.98Å; E204-K213 HydrophobicContact CG-CB 4.49Å
205	M	96.1	Very high	91.3	Very high	61 Å²	61	62.5 Å²	62.5	30%	0.3	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	113.5	178.6	-67.7	-65	-60.8	0	0	109.3	P210 P354 E356 F514	M205-P210 HydrophobicContact CE-CG 4.35Å; M205-P210 HydrophobicContact SD-CB 4.22Å; M205-P210 HydrophobicContact SD-CG 3.69Å; M205-P354 HydrophobicContact CG-CB 3.85Å; M205-P354 HydrophobicContact CG-CG 3.72Å; M205-P354 HydrophobicContact SD-CG 4.14Å; M205-E356 VanDerWaalsContact CE-OE2 3.3Å; M205-E356 WeakPolarHBondContact CE-OE2 3.16Å; M205-E356 WeakPolarHBondContact CG-OE2 3.37Å; M205-F514 HydrophobicContact SD-CE1 3.95Å
206	G	92.9	Very high	92.6	Very high	21 Å²	21	61.9 Å²	61.9	22%	0.216	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-178.1	172.2	0	0	0	0	0	112	L208 G209	G206-L208 PolarHBondContact O-N 3.06Å; G206-G209 WeakPolarHBondContact CA-O 3.22Å; G206-G209 PolarHBondContact N-O 2.95Å; G206-G209 PolarHBondContact O-N 3.23Å; G206-G209 VanDerWaalsContact O-N 3.15Å
207	S	91.8	Very high	93.4	Very high	124 Å²	124	58 Å²	58	87%	0.867	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.9	179.3	54	0	0	0	0	114.2
208	L	90.8	Very high	94	Very high	141 Å²	141	60.1 Å²	60.1	74%	0.738	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	15.5	179.5	-59.2	177	0	0	0	112.6	G206 R366	G206-L208 PolarHBondContact O-N 3.06Å; L208-R366 PolarHBondContact O-NH2 3.02Å
209	G	93.8	Very high	94.7	Very high	14 Å²	14	56.6 Å²	56.6	14%	0.144	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101.2	-156.7	-177.7	0	0	0	0	0	113.5	G206 Q211	G206-G209 WeakPolarHBondContact CA-O 3.22Å; G206-G209 PolarHBondContact N-O 2.95Å; G206-G209 PolarHBondContact O-N 3.23Å; G206-G209 VanDerWaalsContact O-N 3.15Å; G209-Q211 PolarHBondContact O-N 3.11Å
210	P	97.1	Very high	95.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	136.8	-175.4	-25.6	34.5	0	0	0	113.4	I203 E204 M205 F514 Q517 S521	I203-P210 HydrophobicContact CG2-CB 4Å; E204-P210 WeakPolarHBondContact O-CA 3.36Å; M205-P210 HydrophobicContact CE-CG 4.35Å; M205-P210 HydrophobicContact SD-CB 4.22Å; M205-P210 HydrophobicContact SD-CG 3.69Å; P210-F514 HydrophobicContact CB-CD1 3.86Å; P210-F514 HydrophobicContact CB-CE1 4.47Å; P210-F514 HydrophobicContact CG-CD1 3.56Å; P210-F514 HydrophobicContact CG-CE1 3.79Å; P210-Q517 HydrophobicContact CB-CB 3.87Å; P210-Q517 HydrophobicContact CG-CB 3.89Å; P210-S521 WeakPolarHBondContact O-CB 3.4Å; P210-S521 PolarHBondContact O-OG 2.73Å
211	Q	97.6	Very high	95.3	Very high	48 Å²	48	57.6 Å²	57.6	22%	0.224	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154.3	174.8	65.7	-177.9	6.7	0	0	111.2	I203 E204 G209 K213	I203-Q211 WeakPolarHBondContact CA-O 3.43Å; E204-Q211 HydrophobicContact CG-CG 3.88Å; E204-Q211 PolarHBondContact N-O 3.34Å; E204-Q211 PolarHBondContact O-N 3.24Å; E204-Q211 PolarHBondContact OE1-NE2 2.98Å; G209-Q211 PolarHBondContact O-N 3.11Å; Q211-K213 PolarHBondContact O-N 3.31Å
212	W	97.9	Very high	95.3	Very high	13 Å²	13	59.7 Å²	59.7	5%	0.049	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	132.4	172.6	-65.3	120.9	0	0	0	110	I203 A214 I273 H309 P310 V311 L351 A515 A518 E519	I203-W212 HydrophobicContact CD1-CE3 4.25Å; I203-W212 HydrophobicContact CD1-CH2 4.01Å; I203-W212 HydrophobicContact CD1-CZ3 3.64Å; I203-W212 HydrophobicContact CG1-CD2 4.48Å; I203-W212 HydrophobicContact CG1-CE3 3.55Å; I203-W212 HydrophobicContact CG1-CH2 4.22Å; I203-W212 HydrophobicContact CG1-CZ3 3.4Å; W212-A214 PolarHBondContact O-N 3.28Å; W212-I273 HydrophobicContact CZ2-CD1 4.49Å; W212-I273 HydrophobicContact CZ2-CG1 4.24Å; W212-H309 AromaticContact NE1-CE1 3.91Å; W212-P310 HydrophobicContact CB-CB 3.86Å; W212-P310 HydrophobicContact CB-CG 3.88Å; W212-V311 HydrophobicContact CD2-CG2 3.67Å; W212-V311 HydrophobicContact CE3-CG2 3.56Å; W212-V311 HydrophobicContact CG-CG2 4.24Å; W212-V311 HydrophobicContact CH2-CG2 4.22Å; W212-V311 HydrophobicContact CZ2-CG2 4.3Å; W212-V311 HydrophobicContact CZ3-CG2 3.84Å; W212-L351 HydrophobicContact CH2-CD2 4.05Å; W212-L351 HydrophobicContact CZ3-CD2 3.94Å; W212-A515 HydrophobicContact CH2-CB 4Å; W212-A515 HydrophobicContact CZ2-CB 4.43Å; W212-A518 HydrophobicContact CD2-CB 3.75Å; W212-A518 HydrophobicContact CE3-CB 4.27Å; W212-A518 HydrophobicContact CG-CB 3.97Å; W212-A518 HydrophobicContact CZ2-CB 4.2Å; W212-E519 PolarHBondContact NE1-OE2 3.27Å
213	K	97.5	Very high	95.2	Very high	108 Å²	108	58.2 Å²	58.2	47%	0.47	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-62.2	130.3	170	-176.4	176.6	-179.1	178.8	0	109.1	T202 E204 Q211 P310	T202-K213 HydrophobicContact CG2-CB 4.45Å; T202-K213 HydrophobicContact CG2-CD 4.16Å; T202-K213 VanDerWaalsContact O-CB 3.25Å; T202-K213 WeakPolarHBondContact O-CB 3.43Å; T202-K213 PolarHBondContact O-N 2.86Å; E204-K213 HydrophobicContact CG-CB 4.49Å; Q211-K213 PolarHBondContact O-N 3.31Å; K213-P310 VanDerWaalsContact O-CB 3.3Å; K213-P310 WeakPolarHBondContact O-CB 3.43Å
214	A	96.1	Very high	94.9	Very high	68 Å²	68	61.3 Å²	61.3	56%	0.562	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-57.3	148.7	-178.3	0	0	0	0	0	112.3	W212	W212-A214 PolarHBondContact O-N 3.28Å
215	N	94	Very high	94.3	Very high	20 Å²	20	63.2 Å²	63.2	11%	0.107	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-60.1	126.4	172.9	-179.4	-19	0	0	0	109.1	T217 S313 Q314	N215-T217 PolarHBondContact O-N 3.42Å; N215-T217 PolarHBondContact OD1-N 2.88Å; N215-T217 PolarHBondContact OD1-O 3.35Å; N215-T217 PolarHBondContact OD1-OG1 2.91Å; N215-S313 PolarHBondContact ND2-OG 3.32Å; N215-Q314 HydrophobicContact CB-CG 4.33Å
216	P	91.9	Very high	93.9	Very high	104 Å²	104	62 Å²	62	68%	0.675	37%	0.368	S	S	*	.	S	Bend	trans	-64	-24.9	-179.1	26.4	-36.1	0	0	0	113.4
217	T	92.4	Very high	93.6	Very high	102 Å²	102	63.8 Å²	63.8	63%	0.626	38%	0.375	S	S	*	.	S	Bend	trans	-127.3	73.6	-179.9	52.7	0	0	0	0	109.5	N215	N215-T217 PolarHBondContact O-N 3.42Å; N215-T217 PolarHBondContact OD1-N 2.88Å; N215-T217 PolarHBondContact OD1-O 3.35Å; N215-T217 PolarHBondContact OD1-OG1 2.91Å
218	P	95.1	Very high	93.5	Very high	107 Å²	107	64.4 Å²	64.4	70%	0.695	36%	0.362	S	S	*	.			trans	-65.5	144	-179	29	-34.4	0	0	0	110.4
219	F	95.9	Very high	93.2	Very high	24 Å²	24	60.5 Å²	60.5	11%	0.105	34%	0.339	C	S	.	.			trans	-146.7	158.8	176.6	67.4	-87.9	0	0	0	110	H247 T307 F318 L322	F219-H247 HydrophobicContact CB-CB 4.12Å; F219-H247 WeakPolarHBondContact CB-ND1 3.4Å; F219-H247 AromaticContact CD1-CE1 3.84Å; F219-H247 AromaticContact CD1-ND1 3.74Å; F219-H247 AromaticContact CD2-CE1 3.58Å; F219-H247 AromaticContact CD2-ND1 3.4Å; F219-H247 WeakPolarHBondContact CD2-ND1 3.29Å; F219-H247 AromaticContact CE2-CE1 3.86Å; F219-H247 AromaticContact CG-CE1 3.57Å; F219-H247 AromaticContact CG-ND1 3.16Å; F219-H247 WeakPolarHBondContact CG-ND1 3.41Å; F219-T307 HydrophobicContact CD2-CG2 4.12Å; F219-T307 HydrophobicContact CE2-CG2 3.61Å; F219-T307 HydrophobicContact CZ-CG2 4.28Å; F219-T307 WeakPolarHBondContact O-CB 3.49Å; F219-F318 HydrophobicContact CE2-CE1 4.44Å; F219-F318 HydrophobicContact CZ-CE1 4.02Å; F219-L322 HydrophobicContact CE2-CD1 3.47Å; F219-L322 VanDerWaalsContact CE2-CD1 3.47Å; F219-L322 HydrophobicContact CZ-CD1 3.72Å
220	I	96.1	Very high	92.8	Very high	120 Å²	120	63.9 Å²	63.9	62%	0.615	36%	0.358	S	S	*	.			trans	-109.5	159.6	168.3	63.3	172.3	0	0	0	110.3	S246	I220-S246 WeakPolarHBondContact CG1-OG 3.38Å; I220-S246 PolarHBondContact N-OG 2.89Å; I220-S246 WeakPolarHBondContact O-CB 3.49Å; I220-S246 PolarHBondContact O-N 3.37Å; I220-S246 PolarHBondContact O-OG 3.25Å
221	C	96.3	Very high	92	Very high	4 Å²	4	67.5 Å²	67.5	3%	0.027	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.2	174.6	-173.5	0	0	0	0	110.6	V243 T244 M303 T307	C221-V243 WeakPolarHBondContact SG-CG1 3.28Å; C221-T244 WeakPolarHBondContact CA-O 3.49Å; C221-M303 HydrophobicContact CB-CG 3.67Å; C221-M303 HydrophobicContact CB-SD 3.77Å; C221-T307 HydrophobicContact CB-CG2 3.82Å
222	S	96.1	Very high	91.1	Very high	54 Å²	54	72.2 Å²	72.2	38%	0.378	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	147.5	174	65.1	0	0	0	0	110.9	V243 T244	S222-V243 WeakPolarHBondContact O-CA 3.38Å; S222-T244 PolarHBondContact N-O 3.2Å; S222-T244 PolarHBondContact O-N 2.91Å; S222-T244 WeakPolarHBondContact OG-CB 3.02Å; S222-T244 PolarHBondContact OG-O 3.32Å
223	I	96.1	Very high	90.1	Very high	11 Å²	11	82.3 Å²	82.3	6%	0.056	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	112.3	168	-59.3	-175.3	0	0	0	107.6	Y241 R242 V243 F259 L299 I300 M303	I223-Y241 HydrophobicContact CG2-CD1 4.13Å; I223-Y241 HydrophobicContact CG2-CG 4.32Å; I223-R242 WeakPolarHBondContact CA-O 3.29Å; I223-V243 HydrophobicContact CG1-CG2 4.41Å; I223-F259 HydrophobicContact CD1-CE1 4.03Å; I223-F259 HydrophobicContact CD1-CZ 4.09Å; I223-L299 HydrophobicContact CD1-CB 4.04Å; I223-L299 WeakPolarHBondContact CD1-O 3.46Å; I223-I300 HydrophobicContact CB-CG1 3.81Å; I223-I300 HydrophobicContact CG2-CG1 4.48Å; I223-M303 HydrophobicContact CD1-CB 3.71Å; I223-M303 HydrophobicContact CD1-CE 4.22Å; I223-M303 HydrophobicContact CD1-CG 4.12Å; I223-M303 HydrophobicContact CG1-CB 4.31Å; I223-M303 HydrophobicContact CG1-CG 4.28Å
224	E	91.6	Very high	89.1	Confident	69 Å²	69	78.9 Å²	78.9	32%	0.322	43%	0.433	S	S	.	.			trans	-96.5	-172.2	-176.2	-61.8	174	-142.7	0	0	111.9	R242 T244	E224-R242 HydrophobicContact CB-CB 4.22Å; E224-R242 VanDerWaalsContact CD-NH1 3.29Å; E224-R242 PolarHBondContact N-O 2.79Å; E224-R242 IonicContact OE1-CZ 3.96Å; E224-R242 IonicContact OE1-NE 2.86Å; E224-R242 IonicContact OE1-NH1 3.5Å; E224-R242 PolarHBondContact OE1-NH1 2.88Å; E224-R242 WeakPolarHBondContact OE2-CD 3.49Å; E224-R242 IonicContact OE2-CZ 2.7Å; E224-R242 IonicContact OE2-NE 3.61Å; E224-R242 IonicContact OE2-NH1 3.14Å; E224-R242 PolarHBondContact OE2-NH1 2.79Å; E224-T244 PolarHBondContact OE1-OG1 2.97Å
225	D	83.6	Confident	88.3	Confident	114 Å²	114	82.9 Å²	82.9	61%	0.61	44%	0.443	S	S	*	.			trans	-59.8	136.2	-170.3	-71.1	-39.1	0	0	0	113.4	K296	D225-K296 IonicContact OD1-NZ 2.81Å; D225-K296 PolarHBondContact OD1-NZ 3.12Å
226	P	86.7	Confident	87.8	Confident	36 Å²	36	86.5 Å²	86.5	23%	0.234	46%	0.458	C	S	.	.			trans	-66.3	135.2	179	18.2	-22.3	0	0	0	111	I239 S240 Y241 I292	P226-I239 HydrophobicContact CB-CG2 3.31Å; P226-I239 HydrophobicContact CG-CG2 4.45Å; P226-S240 CarbonylContact C-O 3.57Å; P226-S240 WeakPolarHBondContact CA-O 3.41Å; P226-Y241 HydrophobicContact CB-CD1 4.01Å; P226-Y241 HydrophobicContact CB-CE1 3.85Å; P226-Y241 HydrophobicContact CG-CE1 4.22Å; P226-I292 HydrophobicContact CB-CG2 3.87Å; P226-I292 HydrophobicContact CG-CG2 3.17Å
227	T	88.3	Confident	87.6	Confident	59 Å²	59	83 Å²	83	36%	0.362	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.3	172.3	52.8	0	0	0	0	109.9	Q229 S240	T227-Q229 PolarHBondContact O-N 3.49Å; T227-S240 PolarHBondContact N-O 2.87Å; T227-S240 PolarHBondContact O-N 2.94Å; T227-S240 PolarHBondContact OG1-O 3.12Å
228	K	88.3	Confident	87.5	Confident	137 Å²	137	80 Å²	80	60%	0.596	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.8	171.4	-169.8	176.5	-177.5	179.2	0	108.5	I239	K228-I239 HydrophobicContact CB-CD1 4.23Å; K228-I239 HydrophobicContact CG-CD1 4.4Å
229	Q	85.7	Confident	87.3	Confident	58 Å²	58	75.9 Å²	75.9	27%	0.271	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	155.1	178.3	-67.1	-171.9	-4.5	0	0	110.8	T227 T237 Y238	T227-Q229 PolarHBondContact O-N 3.49Å; Q229-T237 CarbonylContact O-C 3.51Å; Q229-T237 VanDerWaalsContact O-CA 3.3Å; Q229-T237 WeakPolarHBondContact O-CA 3.49Å; Q229-Y238 HydrophobicContact CB-CD2 4.26Å; Q229-Y238 HydrophobicContact CB-CE1 4.18Å; Q229-Y238 HydrophobicContact CB-CE2 3.68Å; Q229-Y238 HydrophobicContact CG-CE2 4.38Å; Q229-Y238 PolarHBondContact N-O 3.26Å; Q229-Y238 PolarHBondContact O-N 3.15Å; Q229-Y238 PolarHBondContact OE1-OH 3.11Å
230	T	85.4	Confident	87.2	Confident	86 Å²	86	74.9 Å²	74.9	53%	0.528	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.7	179.9	62.3	0	0	0	0	111.5	K236 T237	T230-K236 CarbonylContact C-O 3.6Å; T230-K236 WeakPolarHBondContact CA-O 3.44Å; T230-T237 HydrophobicContact CG2-CG2 3.6Å
231	K	79.8	Confident	87.2	Confident	76 Å²	76	69.2 Å²	69.2	33%	0.33	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	163.2	169.9	-86	173.8	-172.5	-127.5	0	110.4	K233 G234 I235 K236 Y238	K231-K233 PolarHBondContact O-N 3.49Å; K231-G234 PolarHBondContact O-N 2.84Å; K231-I235 PolarHBondContact O-N 3.26Å; K231-K236 HydrophobicContact CB-CB 4.33Å; K231-K236 PolarHBondContact N-O 3.39Å; K231-K236 PolarHBondContact O-N 3.29Å; K231-Y238 HydrophobicContact CB-CE1 4.41Å; K231-Y238 HydrophobicContact CD-CE1 3.72Å; K231-Y238 WeakPolarHBondContact CE-OH 3.43Å; K231-Y238 HydrophobicContact CG-CE1 3.78Å
232	F	77.6	Confident	87.2	Confident	147 Å²	147	72.9 Å²	72.9	65%	0.645	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	52.4	51.8	176.7	-54.4	-73.6	0	0	0	112.6	G234 I235 K236	F232-G234 PolarHBondContact O-N 3.26Å; F232-G234 VanDerWaalsContact O-N 3.11Å; F232-I235 HydrophobicContact CB-CB 4.13Å; F232-I235 HydrophobicContact CB-CD1 4.27Å; F232-I235 WeakPolarHBondContact O-CD1 3.37Å; F232-I235 VanDerWaalsContact O-CG1 3.29Å; F232-I235 WeakPolarHBondContact O-CG1 3.28Å; F232-I235 PolarHBondContact O-N 2.98Å; F232-K236 HydrophobicContact CD2-CB 4.2Å; F232-K236 HydrophobicContact CE2-CD 4.47Å
233	K	77.9	Confident	87.2	Confident	224 Å²	224	70.3 Å²	70.3	97%	0.974	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	53.9	33.3	179.3	-57.3	-178	178.3	-179.9	0	114.3	K231	K231-K233 PolarHBondContact O-N 3.49Å
234	G	75.8	Confident	87.2	Confident	37 Å²	37	70.7 Å²	70.7	38%	0.381	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	106.1	-10.6	175	0	0	0	0	0	115.1	K231 F232 K236	K231-G234 PolarHBondContact O-N 2.84Å; F232-G234 PolarHBondContact O-N 3.26Å; F232-G234 VanDerWaalsContact O-N 3.11Å; G234-K236 VanDerWaalsContact C-N 3.3Å; G234-K236 PolarHBondContact O-N 3.1Å
235	I	79.9	Confident	87.4	Confident	151 Å²	151	67.4 Å²	67.4	77%	0.774	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-34.3	-176.7	-63	167.4	0	0	0	111.8	K231 F232	K231-I235 PolarHBondContact O-N 3.26Å; F232-I235 HydrophobicContact CB-CB 4.13Å; F232-I235 HydrophobicContact CB-CD1 4.27Å; F232-I235 WeakPolarHBondContact O-CD1 3.37Å; F232-I235 VanDerWaalsContact O-CG1 3.29Å; F232-I235 WeakPolarHBondContact O-CG1 3.28Å; F232-I235 PolarHBondContact O-N 2.98Å
236	K	83.9	Confident	87.9	Confident	96 Å²	96	65.1 Å²	65.1	42%	0.417	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	109	-176.7	-168	168.8	-171.2	163	0	111.5	T230 K231 F232 G234	T230-K236 CarbonylContact C-O 3.6Å; T230-K236 WeakPolarHBondContact CA-O 3.44Å; K231-K236 HydrophobicContact CB-CB 4.33Å; K231-K236 PolarHBondContact N-O 3.39Å; K231-K236 PolarHBondContact O-N 3.29Å; F232-K236 HydrophobicContact CD2-CB 4.2Å; F232-K236 HydrophobicContact CE2-CD 4.47Å; G234-K236 VanDerWaalsContact C-N 3.3Å; G234-K236 PolarHBondContact O-N 3.1Å
237	T	87.3	Confident	88.1	Confident	32 Å²	32	67.9 Å²	67.9	20%	0.196	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.6	176.4	60.6	0	0	0	0	111.9	Q229 T230 F287	Q229-T237 CarbonylContact O-C 3.51Å; Q229-T237 VanDerWaalsContact O-CA 3.3Å; Q229-T237 WeakPolarHBondContact O-CA 3.49Å; T230-T237 HydrophobicContact CG2-CG2 3.6Å; T237-F287 WeakPolarHBondContact OG1-CZ 3.44Å
238	Y	89.4	Confident	88.1	Confident	38 Å²	38	68 Å²	68	15%	0.149	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	160.8	174.6	59	-87.3	0	0	0	111.8	Q229 K231 R255	Q229-Y238 HydrophobicContact CB-CD2 4.26Å; Q229-Y238 HydrophobicContact CB-CE1 4.18Å; Q229-Y238 HydrophobicContact CB-CE2 3.68Å; Q229-Y238 HydrophobicContact CG-CE2 4.38Å; Q229-Y238 PolarHBondContact N-O 3.26Å; Q229-Y238 PolarHBondContact O-N 3.15Å; Q229-Y238 PolarHBondContact OE1-OH 3.11Å; K231-Y238 HydrophobicContact CB-CE1 4.41Å; K231-Y238 HydrophobicContact CD-CE1 3.72Å; K231-Y238 WeakPolarHBondContact CE-OH 3.43Å; K231-Y238 HydrophobicContact CG-CE1 3.78Å; Y238-R255 HydrophobicContact CD2-CB 3.7Å; Y238-R255 HydrophobicContact CD2-CG 4.42Å; Y238-R255 HydrophobicContact CE2-CB 4.18Å
239	I	92.4	Very high	88	Confident	21 Å²	21	63.8 Å²	63.8	11%	0.108	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.1	172.4	-60	-56.9	0	0	0	109.4	P226 K228 Y241 R255 F287 I292	P226-I239 HydrophobicContact CB-CG2 3.31Å; P226-I239 HydrophobicContact CG-CG2 4.45Å; K228-I239 HydrophobicContact CB-CD1 4.23Å; K228-I239 HydrophobicContact CG-CD1 4.4Å; I239-Y241 HydrophobicContact CG2-CE1 4.32Å; I239-Y241 HydrophobicContact CG2-CE2 4.16Å; I239-R255 WeakPolarHBondContact O-CA 3.49Å; I239-R255 WeakPolarHBondContact O-CB 3.39Å; I239-F287 HydrophobicContact CD1-CD1 4Å; I239-F287 HydrophobicContact CD1-CE1 4.26Å; I239-F287 HydrophobicContact CG1-CD1 4.16Å; I239-F287 HydrophobicContact CG1-CE1 4.28Å; I239-I292 HydrophobicContact CD1-CD1 3.83Å; I239-I292 HydrophobicContact CG1-CD1 3.98Å; I239-I292 HydrophobicContact CG1-CG1 4.29Å
240	S	93.9	Very high	88.3	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.014	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.5	177.2	-171.3	0	0	0	0	110.6	P226 T227	P226-S240 CarbonylContact C-O 3.57Å; P226-S240 WeakPolarHBondContact CA-O 3.41Å; T227-S240 PolarHBondContact N-O 2.87Å; T227-S240 PolarHBondContact O-N 2.94Å; T227-S240 PolarHBondContact OG1-O 3.12Å
241	Y	95.6	Very high	88.7	Confident	1 Å²	1	68.3 Å²	68.3	0%	0.004	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.3	177.7	-57.4	-85.3	0	0	0	109.6	I223 P226 I239 Y253 R254 F259 R295 K296 L299	I223-Y241 HydrophobicContact CG2-CD1 4.13Å; I223-Y241 HydrophobicContact CG2-CG 4.32Å; P226-Y241 HydrophobicContact CB-CD1 4.01Å; P226-Y241 HydrophobicContact CB-CE1 3.85Å; P226-Y241 HydrophobicContact CG-CE1 4.22Å; I239-Y241 HydrophobicContact CG2-CE1 4.32Å; I239-Y241 HydrophobicContact CG2-CE2 4.16Å; Y241-Y253 WeakPolarHBondContact O-CA 3.49Å; Y241-R254 WeakPolarHBondContact CD2-O 3.46Å; Y241-R254 PolarHBondContact N-O 3.36Å; Y241-R254 PolarHBondContact O-N 3.27Å; Y241-F259 HydrophobicContact CD2-CE2 4.04Å; Y241-R295 WeakPolarHBondContact OH-CD 3.35Å; Y241-R295 WeakPolarHBondContact OH-CG 3.4Å; Y241-K296 HydrophobicContact CE1-CB 4.12Å; Y241-K296 HydrophobicContact CE1-CG 4.49Å; Y241-L299 HydrophobicContact CD1-CD1 4.41Å; Y241-L299 HydrophobicContact CD2-CD1 3.9Å; Y241-L299 HydrophobicContact CE1-CD1 4.13Å; Y241-L299 HydrophobicContact CE2-CD1 3.6Å; Y241-L299 HydrophobicContact CG-CD1 4.31Å
242	R	95.1	Very high	89.4	Confident	82 Å²	82	64.9 Å²	64.9	31%	0.309	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.5	171.2	-179.4	-178.1	-177.4	-143.2	-1.4	108.4	I223 E224 P251 Y253	I223-R242 WeakPolarHBondContact CA-O 3.29Å; E224-R242 HydrophobicContact CB-CB 4.22Å; E224-R242 VanDerWaalsContact CD-NH1 3.29Å; E224-R242 PolarHBondContact N-O 2.79Å; E224-R242 IonicContact OE1-CZ 3.96Å; E224-R242 IonicContact OE1-NE 2.86Å; E224-R242 IonicContact OE1-NH1 3.5Å; E224-R242 PolarHBondContact OE1-NH1 2.88Å; E224-R242 WeakPolarHBondContact OE2-CD 3.49Å; E224-R242 IonicContact OE2-CZ 2.7Å; E224-R242 IonicContact OE2-NE 3.61Å; E224-R242 IonicContact OE2-NH1 3.14Å; E224-R242 PolarHBondContact OE2-NH1 2.79Å; R242-P251 HydrophobicContact CG-CB 3.82Å; R242-P251 VanDerWaalsContact NE-CB 3.34Å; R242-Y253 HydrophobicContact CB-CD1 4.3Å; R242-Y253 HydrophobicContact CB-CE1 3.96Å; R242-Y253 HydrophobicContact CG-CE1 4.22Å
243	V	96.8	Very high	90.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.5	-174.9	-179.9	0	0	0	0	108	C221 S222 I223 P251 V252 R254 F259 M303 F321 L322	C221-V243 WeakPolarHBondContact SG-CG1 3.28Å; S222-V243 WeakPolarHBondContact O-CA 3.38Å; I223-V243 HydrophobicContact CG1-CG2 4.41Å; V243-P251 CarbonylContact O-C 3.52Å; V243-P251 WeakPolarHBondContact O-CA 3.39Å; V243-V252 HydrophobicContact CB-CG2 4.01Å; V243-V252 HydrophobicContact CG1-CG2 4.4Å; V243-V252 PolarHBondContact N-O 3.17Å; V243-V252 PolarHBondContact O-N 2.84Å; V243-R254 HydrophobicContact CG2-CB 4.06Å; V243-R254 HydrophobicContact CG2-CG 4.09Å; V243-F259 HydrophobicContact CG2-CZ 3.99Å; V243-M303 HydrophobicContact CG1-CE 4.19Å; V243-F321 HydrophobicContact CG1-CE1 4.46Å; V243-L322 HydrophobicContact CG1-CD2 3.71Å
244	T	96	Very high	91	Very high	19 Å²	19	53 Å²	53	12%	0.117	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	104.6	-174.6	-49.1	0	0	0	0	110.8	C221 S222 E224	C221-T244 WeakPolarHBondContact CA-O 3.49Å; S222-T244 PolarHBondContact N-O 3.2Å; S222-T244 PolarHBondContact O-N 2.91Å; S222-T244 WeakPolarHBondContact OG-CB 3.02Å; S222-T244 PolarHBondContact OG-O 3.32Å; E224-T244 PolarHBondContact OE1-OG1 2.97Å
245	P	95.6	Very high	91.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.9	172.6	28.4	-32.8	0	0	0	111.3	H247 I248 G249 L322	P245-H247 PolarHBondContact O-N 3.02Å; P245-I248 HydrophobicContact CB-CD1 4.34Å; P245-I248 HydrophobicContact CB-CG1 4.36Å; P245-I248 HydrophobicContact CG-CB 4.13Å; P245-I248 HydrophobicContact CG-CD1 3.64Å; P245-I248 HydrophobicContact CG-CG1 3.93Å; P245-I248 PolarHBondContact O-N 3.38Å; P245-G249 PolarHBondContact O-N 3.27Å; P245-L322 HydrophobicContact CG-CB 4.34Å
246	S	94.5	Very high	92.5	Very high	66 Å²	66	47.8 Å²	47.8	46%	0.462	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.9	-176	48.6	0	0	0	0	114.8	I220 I248	I220-S246 WeakPolarHBondContact CG1-OG 3.38Å; I220-S246 PolarHBondContact N-OG 2.89Å; I220-S246 WeakPolarHBondContact O-CB 3.49Å; I220-S246 PolarHBondContact O-N 3.37Å; I220-S246 PolarHBondContact O-OG 3.25Å; S246-I248 VanDerWaalsContact C-N 3.26Å; S246-I248 PolarHBondContact O-N 3.34Å
247	H	90.2	Very high	93	Very high	94 Å²	94	48.7 Å²	48.7	44%	0.435	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-14.8	-178	63.1	-83.1	0	0	0	113.7	F219 P245 M323	F219-H247 HydrophobicContact CB-CB 4.12Å; F219-H247 WeakPolarHBondContact CB-ND1 3.4Å; F219-H247 AromaticContact CD1-CE1 3.84Å; F219-H247 AromaticContact CD1-ND1 3.74Å; F219-H247 AromaticContact CD2-CE1 3.58Å; F219-H247 AromaticContact CD2-ND1 3.4Å; F219-H247 WeakPolarHBondContact CD2-ND1 3.29Å; F219-H247 AromaticContact CE2-CE1 3.86Å; F219-H247 AromaticContact CG-CE1 3.57Å; F219-H247 AromaticContact CG-ND1 3.16Å; F219-H247 WeakPolarHBondContact CG-ND1 3.41Å; P245-H247 PolarHBondContact O-N 3.02Å; H247-M323 WeakPolarHBondContact NE2-CE 3.49Å
248	I	88.7	Confident	93.4	Very high	60 Å²	60	48.8 Å²	48.8	31%	0.308	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-37.9	-179.6	-42.3	-179.7	0	0	0	111.1	P245 S246 R250 M323	P245-I248 HydrophobicContact CB-CD1 4.34Å; P245-I248 HydrophobicContact CB-CG1 4.36Å; P245-I248 HydrophobicContact CG-CB 4.13Å; P245-I248 HydrophobicContact CG-CD1 3.64Å; P245-I248 HydrophobicContact CG-CG1 3.93Å; P245-I248 PolarHBondContact O-N 3.38Å; S246-I248 VanDerWaalsContact C-N 3.26Å; S246-I248 PolarHBondContact O-N 3.34Å; I248-R250 HydrophobicContact CG2-CB 3.92Å; I248-R250 HydrophobicContact CG2-CG 4.07Å; I248-R250 PolarHBondContact O-N 3.37Å; I248-R250 VanDerWaalsContact O-N 3.14Å; I248-M323 HydrophobicContact CD1-CB 4.36Å; I248-M323 HydrophobicContact CD1-CE 3.44Å; I248-M323 VanDerWaalsContact CD1-CE 3.44Å; I248-M323 HydrophobicContact CD1-CG 3.37Å; I248-M323 HydrophobicContact CD1-SD 3.71Å; I248-M323 HydrophobicContact CG1-CE 4.25Å
249	G	87.3	Confident	93.8	Very high	49 Å²	49	47 Å²	47	51%	0.505	23%	0.226	S	C	.	.			trans	69.9	-0.6	-174.2	0	0	0	0	0	114.9	P245	P245-G249 PolarHBondContact O-N 3.27Å
250	R	91.1	Very high	94	Very high	195 Å²	195	47.4 Å²	47.4	74%	0.736	23%	0.228	S	C	*	.			trans	-94.2	123.3	178.1	-67.7	-176.8	-179.9	-176.4	0.3	110.6	I248	I248-R250 HydrophobicContact CG2-CB 3.92Å; I248-R250 HydrophobicContact CG2-CG 4.07Å; I248-R250 PolarHBondContact O-N 3.37Å; I248-R250 VanDerWaalsContact O-N 3.14Å
251	P	93.8	Very high	94.1	Very high	44 Å²	44	48.5 Å²	48.5	29%	0.286	23%	0.232	S	C	.	.			trans	-77.2	146	179.7	32	-35.9	0	0	0	111.8	R242 V243	R242-P251 HydrophobicContact CG-CB 3.82Å; R242-P251 VanDerWaalsContact NE-CB 3.34Å; V243-P251 CarbonylContact O-C 3.52Å; V243-P251 WeakPolarHBondContact O-CA 3.39Å
252	V	94.6	Very high	94.2	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.8	165.2	-62.6	0	0	0	0	110.4	V243 R254 L322 A325	V243-V252 HydrophobicContact CB-CG2 4.01Å; V243-V252 HydrophobicContact CG1-CG2 4.4Å; V243-V252 PolarHBondContact N-O 3.17Å; V243-V252 PolarHBondContact O-N 2.84Å; V252-R254 HydrophobicContact CG2-CG 4.24Å; V252-L322 VanDerWaalsContact CG1-O 3.27Å; V252-L322 WeakPolarHBondContact CG1-O 3.48Å; V252-L322 WeakPolarHBondContact CG2-O 3.42Å; V252-A325 HydrophobicContact CG1-CB 4.43Å
253	Y	94.4	Very high	94.4	Very high	111 Å²	111	46 Å²	46	44%	0.435	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.2	-179.7	-69.2	-89.2	0	0	0	110.2	Y241 R242	Y241-Y253 WeakPolarHBondContact O-CA 3.49Å; R242-Y253 HydrophobicContact CB-CD1 4.3Å; R242-Y253 HydrophobicContact CB-CE1 3.96Å; R242-Y253 HydrophobicContact CG-CE1 4.22Å
254	R	95	Very high	94.3	Very high	12 Å²	12	49.2 Å²	49.2	5%	0.045	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.9	-176.5	-61.8	-65.3	-179.7	-108.9	2.7	110.9	Y241 V243 V252 H258 F259 F321 C324 W330	Y241-R254 WeakPolarHBondContact CD2-O 3.46Å; Y241-R254 PolarHBondContact N-O 3.36Å; Y241-R254 PolarHBondContact O-N 3.27Å; V243-R254 HydrophobicContact CG2-CB 4.06Å; V243-R254 HydrophobicContact CG2-CG 4.09Å; V252-R254 HydrophobicContact CG2-CG 4.24Å; R254-H258 HydrophobicContact CB-CB 4.42Å; R254-F259 HydrophobicContact CB-CD2 4.35Å; R254-F259 HydrophobicContact CB-CE2 3.68Å; R254-F259 HydrophobicContact CB-CZ 4.2Å; R254-F321 HydrophobicContact CB-CE2 4.15Å; R254-F321 HydrophobicContact CB-CZ 3.79Å; R254-F321 HydrophobicContact CG-CE1 4.01Å; R254-F321 HydrophobicContact CG-CE2 3.83Å; R254-F321 HydrophobicContact CG-CZ 3.53Å; R254-F321 PolarHBondContact NE-O 2.92Å; R254-F321 PolarHBondContact NH2-O 3.08Å; R254-C324 PolarHBondContact NH1-O 2.79Å; R254-C324 VanDerWaalsContact NH1-O 3.12Å; R254-C324 PolarHBondContact NH2-O 3.38Å; R254-W330 VanDerWaalsContact CZ-CZ3 3.47Å
255	R	94	Very high	94.3	Very high	48 Å²	48	51 Å²	51	18%	0.181	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	163	169.1	68.8	-176.4	177.8	160.8	2.6	110.5	Y238 I239 K257 H258 F259	Y238-R255 HydrophobicContact CD2-CB 3.7Å; Y238-R255 HydrophobicContact CD2-CG 4.42Å; Y238-R255 HydrophobicContact CE2-CB 4.18Å; I239-R255 WeakPolarHBondContact O-CA 3.49Å; I239-R255 WeakPolarHBondContact O-CB 3.39Å; R255-K257 VanDerWaalsContact C-N 3.27Å; R255-K257 HydrophobicContact CG-CB 4.3Å; R255-K257 PolarHBondContact O-N 3.32Å; R255-K257 VanDerWaalsContact O-N 3.14Å; R255-H258 PolarHBondContact N-ND1 3.24Å; R255-H258 PolarHBondContact NE-NE2 2.86Å; R255-H258 VanDerWaalsContact NE-NE2 3.19Å; R255-H258 WeakPolarHBondContact O-CB 3.49Å; R255-H258 PolarHBondContact O-N 3.29Å; R255-F259 WeakPolarHBondContact O-CD2 3.34Å
256	Y	94.1	Very high	94.3	Very high	30 Å²	30	51 Å²	51	12%	0.118	25%	0.245	C	C	.	.	H	α-helix	trans	-50.3	-41.2	178.7	-176.1	-84.4	0	0	0	113.9	H258 F259 D260 P279 K281 R295	Y256-H258 PolarHBondContact O-N 3Å; Y256-H258 VanDerWaalsContact O-N 3.13Å; Y256-F259 WeakPolarHBondContact O-CB 3.28Å; Y256-F259 PolarHBondContact O-N 3.37Å; Y256-D260 HydrophobicContact CE1-CB 4.2Å; Y256-D260 PolarHBondContact O-N 3.45Å; Y256-P279 HydrophobicContact CE2-CG 4.2Å; Y256-P279 VanDerWaalsContact CE2-O 3.24Å; Y256-P279 WeakPolarHBondContact CE2-O 3.47Å; Y256-P279 VanDerWaalsContact CZ-O 3.24Å; Y256-P279 PolarHBondContact OH-O 3.43Å; Y256-K281 HydrophobicContact CD1-CG 4.38Å; Y256-K281 HydrophobicContact CE1-CD 4.23Å; Y256-K281 HydrophobicContact CE1-CG 3.46Å; Y256-K281 VanDerWaalsContact CE1-CG 3.46Å; Y256-R295 HydrophobicContact CD2-CG 4.43Å
257	K	93	Very high	94.3	Very high	114 Å²	114	51.1 Å²	51.1	50%	0.496	24%	0.24	S	C	.	.	H	α-helix	trans	-59.7	-24.6	176.7	-170.6	169.2	-179.9	173.9	0	113.4	R255 W261	R255-K257 VanDerWaalsContact C-N 3.27Å; R255-K257 HydrophobicContact CG-CB 4.3Å; R255-K257 PolarHBondContact O-N 3.32Å; R255-K257 VanDerWaalsContact O-N 3.14Å; K257-W261 WeakPolarHBondContact O-CB 3.41Å; K257-W261 PolarHBondContact O-N 3.34Å; K257-W261 VanDerWaalsContact O-N 3.11Å
258	H	96.2	Very high	94.3	Very high	35 Å²	35	51.5 Å²	51.5	16%	0.162	24%	0.242	C	C	.	.	H	α-helix	trans	-76.8	-37.9	173.8	-56.3	158.5	0	0	0	111.6	R254 R255 Y256 W261 L262 F321 W330	R254-H258 HydrophobicContact CB-CB 4.42Å; R255-H258 PolarHBondContact N-ND1 3.24Å; R255-H258 PolarHBondContact NE-NE2 2.86Å; R255-H258 VanDerWaalsContact NE-NE2 3.19Å; R255-H258 WeakPolarHBondContact O-CB 3.49Å; R255-H258 PolarHBondContact O-N 3.29Å; Y256-H258 PolarHBondContact O-N 3Å; Y256-H258 VanDerWaalsContact O-N 3.13Å; H258-W261 PolarHBondContact O-N 2.78Å; H258-L262 PolarHBondContact O-N 2.88Å; H258-L262 VanDerWaalsContact O-N 3.12Å; H258-F321 HydrophobicContact CB-CE2 3.9Å; H258-W330 HydrophobicContact CB-CH2 4.41Å; H258-W330 HydrophobicContact CB-CZ2 4.11Å
259	F	97.4	Very high	94.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-45.7	171.9	-68.8	-95	0	0	0	110.5	I223 Y241 V243 R254 R255 Y256 W261 L262 Y263 L278 L299 W302 M303 F321	I223-F259 HydrophobicContact CD1-CE1 4.03Å; I223-F259 HydrophobicContact CD1-CZ 4.09Å; Y241-F259 HydrophobicContact CD2-CE2 4.04Å; V243-F259 HydrophobicContact CG2-CZ 3.99Å; R254-F259 HydrophobicContact CB-CD2 4.35Å; R254-F259 HydrophobicContact CB-CE2 3.68Å; R254-F259 HydrophobicContact CB-CZ 4.2Å; R255-F259 WeakPolarHBondContact O-CD2 3.34Å; Y256-F259 WeakPolarHBondContact O-CB 3.28Å; Y256-F259 PolarHBondContact O-N 3.37Å; F259-W261 VanDerWaalsContact C-N 3.33Å; F259-W261 PolarHBondContact O-N 3.14Å; F259-L262 PolarHBondContact O-N 3.12Å; F259-L262 VanDerWaalsContact O-N 3.14Å; F259-Y263 WeakPolarHBondContact O-CB 3.46Å; F259-Y263 PolarHBondContact O-N 3.11Å; F259-L278 HydrophobicContact CB-CD1 4.16Å; F259-L278 HydrophobicContact CB-CD2 4.14Å; F259-L299 HydrophobicContact CB-CD2 4.47Å; F259-L299 HydrophobicContact CD1-CD2 3.93Å; F259-L299 HydrophobicContact CE1-CD2 4.26Å; F259-L299 HydrophobicContact CE2-CD1 4.34Å; F259-L299 HydrophobicContact CG-CD2 4.1Å; F259-L299 HydrophobicContact CZ-CD1 4.44Å; F259-W302 HydrophobicContact CD1-CE3 4.18Å; F259-W302 AromaticContact CD1-CZ3 3.99Å; F259-W302 HydrophobicContact CD1-CZ3 3.99Å; F259-W302 HydrophobicContact CE1-CZ3 4.48Å; F259-M303 HydrophobicContact CE1-CE 3.93Å; F259-F321 HydrophobicContact CD1-CE1 4.48Å; F259-F321 HydrophobicContact CD1-CE2 4.47Å; F259-F321 AromaticContact CD1-CZ 3.76Å; F259-F321 HydrophobicContact CD1-CZ 3.76Å; F259-F321 HydrophobicContact CD2-CZ 4.13Å; F259-F321 HydrophobicContact CE1-CE1 4.15Å; F259-F321 AromaticContact CE1-CZ 3.67Å; F259-F321 HydrophobicContact CE1-CZ 3.67Å; F259-F321 HydrophobicContact CE2-CZ 4.04Å; F259-F321 HydrophobicContact CG-CE2 4.37Å; F259-F321 AromaticContact CG-CZ 4Å; F259-F321 HydrophobicContact CG-CZ 4Å; F259-F321 HydrophobicContact CZ-CE1 4.44Å; F259-F321 AromaticContact CZ-CZ 3.81Å; F259-F321 HydrophobicContact CZ-CZ 3.81Å
260	D	96.6	Very high	94.8	Very high	29 Å²	29	46.8 Å²	46.8	16%	0.155	21%	0.205	C	C	.	.	H	α-helix	trans	-57.8	-43.1	176.8	-174.3	64.3	0	0	0	112.4	Y256 Y263 N264 L278 K281	Y256-D260 HydrophobicContact CE1-CB 4.2Å; Y256-D260 PolarHBondContact O-N 3.45Å; D260-Y263 PolarHBondContact O-N 3.48Å; D260-N264 PolarHBondContact O-N 2.86Å; D260-N264 VanDerWaalsContact O-N 3.07Å; D260-N264 PolarHBondContact O-ND2 2.85Å; D260-L278 VanDerWaalsContact CA-CD1 3.48Å; D260-L278 HydrophobicContact CB-CD1 4.28Å; D260-K281 WeakPolarHBondContact OD1-CE 3.44Å; D260-K281 IonicContact OD1-NZ 3.97Å; D260-K281 PolarHBondContact OD1-NZ 3.37Å; D260-K281 WeakPolarHBondContact OD2-CE 3.45Å; D260-K281 IonicContact OD2-NZ 3.49Å; D260-K281 PolarHBondContact OD2-NZ 2.85Å
261	W	97.1	Very high	94.8	Very high	25 Å²	25	38.6 Å²	38.6	10%	0.095	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-51.1	172.7	166.4	75.4	0	0	0	112	K257 H258 F259 Y263 N264 R265 W330 K334 A337 E338	K257-W261 WeakPolarHBondContact O-CB 3.41Å; K257-W261 PolarHBondContact O-N 3.34Å; K257-W261 VanDerWaalsContact O-N 3.11Å; H258-W261 PolarHBondContact O-N 2.78Å; F259-W261 VanDerWaalsContact C-N 3.33Å; F259-W261 PolarHBondContact O-N 3.14Å; W261-Y263 PolarHBondContact O-N 3.5Å; W261-N264 PolarHBondContact O-N 2.92Å; W261-R265 HydrophobicContact CD2-CG 4.44Å; W261-R265 HydrophobicContact CZ2-CG 4.01Å; W261-R265 WeakPolarHBondContact O-CG 3.46Å; W261-R265 PolarHBondContact O-N 3Å; W261-R265 VanDerWaalsContact O-N 3.07Å; W261-W330 HydrophobicContact CE3-CH2 4.15Å; W261-W330 HydrophobicContact CE3-CZ2 4.08Å; W261-W330 AromaticContact CZ3-CH2 3.91Å; W261-W330 HydrophobicContact CZ3-CH2 3.91Å; W261-W330 HydrophobicContact CZ3-CZ2 4.19Å; W261-K334 HydrophobicContact CZ2-CB 4.05Å; W261-K334 HydrophobicContact CZ2-CG 3.86Å; W261-A337 HydrophobicContact CH2-CB 4.28Å; W261-A337 HydrophobicContact CZ2-CB 3.98Å; W261-E338 PolarHBondContact NE1-OE1 3.39Å
262	L	97.9	Very high	94.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-45.7	-179.3	175.1	61.8	0	0	0	111.1	H258 F259 N264 R265 L266 W302 Y315 F318 F321	H258-L262 PolarHBondContact O-N 2.88Å; H258-L262 VanDerWaalsContact O-N 3.12Å; F259-L262 PolarHBondContact O-N 3.12Å; F259-L262 VanDerWaalsContact O-N 3.14Å; L262-N264 VanDerWaalsContact C-N 3.33Å; L262-N264 PolarHBondContact O-N 3.49Å; L262-R265 WeakPolarHBondContact O-CA 3.4Å; L262-R265 WeakPolarHBondContact O-CB 3.39Å; L262-R265 PolarHBondContact O-N 3.13Å; L262-L266 HydrophobicContact CD1-CD1 4.33Å; L262-L266 HydrophobicContact CD1-CD2 4.49Å; L262-L266 HydrophobicContact CD1-CG 4.19Å; L262-L266 HydrophobicContact CG-CD1 3.98Å; L262-L266 HydrophobicContact CG-CG 4.33Å; L262-L266 VanDerWaalsContact O-CG 3.29Å; L262-L266 WeakPolarHBondContact O-CG 3.39Å; L262-L266 PolarHBondContact O-N 3.4Å; L262-W302 HydrophobicContact CD2-CH2 3.74Å; L262-W302 HydrophobicContact CD2-CZ3 4.35Å; L262-W302 HydrophobicContact CG-CH2 4.24Å; L262-Y315 HydrophobicContact CD1-CD1 4.17Å; L262-Y315 HydrophobicContact CD1-CE1 3.85Å; L262-F318 HydrophobicContact CD1-CB 4.36Å; L262-F318 HydrophobicContact CD2-CD2 3.57Å; L262-F318 HydrophobicContact CD2-CE2 4.23Å; L262-F318 HydrophobicContact CD2-CG 4.47Å; L262-F321 HydrophobicContact CB-CD2 4.15Å; L262-F321 HydrophobicContact CD2-CB 3.89Å; L262-F321 HydrophobicContact CD2-CD1 3.96Å; L262-F321 HydrophobicContact CD2-CD2 3.88Å; L262-F321 HydrophobicContact CD2-CE2 4.43Å; L262-F321 HydrophobicContact CD2-CG 3.64Å
263	Y	97.4	Very high	94.8	Very high	30 Å²	30	36.7 Å²	36.7	12%	0.118	16%	0.164	C	C	.	.	H	α-helix	trans	-54.2	-47.3	176.3	175.8	-109.5	0	0	0	112.2	F259 D260 W261 R265 L266 L267 V275 P276 H277 L278	F259-Y263 WeakPolarHBondContact O-CB 3.46Å; F259-Y263 PolarHBondContact O-N 3.11Å; D260-Y263 PolarHBondContact O-N 3.48Å; W261-Y263 PolarHBondContact O-N 3.5Å; Y263-R265 VanDerWaalsContact C-N 3.3Å; Y263-R265 PolarHBondContact O-N 3.14Å; Y263-L266 WeakPolarHBondContact O-CB 3.3Å; Y263-L266 PolarHBondContact O-N 2.81Å; Y263-L267 HydrophobicContact CD1-CD1 4.09Å; Y263-L267 HydrophobicContact CE1-CD1 3.47Å; Y263-L267 VanDerWaalsContact CE1-CD1 3.47Å; Y263-L267 HydrophobicContact CE1-CG 4.24Å; Y263-L267 HydrophobicContact CE2-CD1 4.17Å; Y263-L267 HydrophobicContact CE2-CD2 4.2Å; Y263-L267 HydrophobicContact CE2-CG 4.11Å; Y263-L267 WeakPolarHBondContact O-CG 3.48Å; Y263-L267 PolarHBondContact O-N 3Å; Y263-V275 HydrophobicContact CD2-CG1 3.87Å; Y263-V275 HydrophobicContact CE2-CG1 3.88Å; Y263-P276 WeakPolarHBondContact CE2-O 3.38Å; Y263-H277 PolarHBondContact OH-CD2 3.25Å; Y263-L278 VanDerWaalsContact CB-CD1 3.46Å; Y263-L278 HydrophobicContact CD1-CD1 4.17Å; Y263-L278 HydrophobicContact CD1-CG 4.37Å; Y263-L278 HydrophobicContact CD2-CG 4.22Å; Y263-L278 HydrophobicContact CG-CD1 3.86Å; Y263-L278 HydrophobicContact CG-CG 3.9Å
264	N	95.8	Very high	94.9	Very high	69 Å²	69	31.4 Å²	31.4	37%	0.369	14%	0.143	S	C	.	.	H	α-helix	trans	-64.7	-32.2	176.3	-72.5	-54.8	0	0	0	113.1	D260 W261 L262 H268	D260-N264 PolarHBondContact O-N 2.86Å; D260-N264 VanDerWaalsContact O-N 3.07Å; D260-N264 PolarHBondContact O-ND2 2.85Å; W261-N264 PolarHBondContact O-N 2.92Å; L262-N264 VanDerWaalsContact C-N 3.33Å; L262-N264 PolarHBondContact O-N 3.49Å; N264-H268 WeakPolarHBondContact O-CB 3.48Å; N264-H268 PolarHBondContact O-N 2.83Å
265	R	96.1	Very high	94.9	Very high	56 Å²	56	30.9 Å²	30.9	21%	0.211	14%	0.142	C	C	.	.	H	α-helix	trans	-68.2	-41.7	173	-67.2	-58	83.7	-175.8	2.7	111.9	W261 L262 Y263 H268 K269 Y315	W261-R265 HydrophobicContact CD2-CG 4.44Å; W261-R265 HydrophobicContact CZ2-CG 4.01Å; W261-R265 WeakPolarHBondContact O-CG 3.46Å; W261-R265 PolarHBondContact O-N 3Å; W261-R265 VanDerWaalsContact O-N 3.07Å; L262-R265 WeakPolarHBondContact O-CA 3.4Å; L262-R265 WeakPolarHBondContact O-CB 3.39Å; L262-R265 PolarHBondContact O-N 3.13Å; Y263-R265 VanDerWaalsContact C-N 3.3Å; Y263-R265 PolarHBondContact O-N 3.14Å; R265-H268 PolarHBondContact O-N 3.07Å; R265-K269 WeakPolarHBondContact O-CB 3.35Å; R265-K269 PolarHBondContact O-N 3.3Å; R265-Y315 HydrophobicContact CB-CE1 4.49Å
266	L	95.8	Very high	94.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-47.2	177.6	-65	165	0	0	0	111.4	L262 Y263 H268 K269 F270 V275 W302 M306 L312 Y315	L262-L266 HydrophobicContact CD1-CD1 4.33Å; L262-L266 HydrophobicContact CD1-CD2 4.49Å; L262-L266 HydrophobicContact CD1-CG 4.19Å; L262-L266 HydrophobicContact CG-CD1 3.98Å; L262-L266 HydrophobicContact CG-CG 4.33Å; L262-L266 VanDerWaalsContact O-CG 3.29Å; L262-L266 WeakPolarHBondContact O-CG 3.39Å; L262-L266 PolarHBondContact O-N 3.4Å; Y263-L266 WeakPolarHBondContact O-CB 3.3Å; Y263-L266 PolarHBondContact O-N 2.81Å; L266-H268 VanDerWaalsContact C-N 3.29Å; L266-H268 PolarHBondContact O-N 3.07Å; L266-K269 PolarHBondContact O-N 3.37Å; L266-F270 HydrophobicContact CB-CD2 4.41Å; L266-F270 HydrophobicContact CD2-CD2 3.97Å; L266-F270 HydrophobicContact CD2-CE2 3.65Å; L266-F270 WeakPolarHBondContact O-CD2 3.3Å; L266-F270 PolarHBondContact O-N 3.46Å; L266-V275 HydrophobicContact CB-CG1 3.99Å; L266-V275 HydrophobicContact CB-CG2 4.11Å; L266-V275 HydrophobicContact CD1-CG1 4.11Å; L266-W302 HydrophobicContact CD1-CH2 4.18Å; L266-W302 HydrophobicContact CD1-CZ2 3.88Å; L266-M306 HydrophobicContact CD1-CE 3.23Å; L266-M306 HydrophobicContact CD1-SD 3.91Å; L266-M306 HydrophobicContact CD2-CE 3.87Å; L266-M306 HydrophobicContact CG-CE 4.18Å; L266-L312 HydrophobicContact CD2-CD2 4.22Å; L266-Y315 HydrophobicContact CD2-CD1 3.53Å; L266-Y315 HydrophobicContact CD2-CE1 3.96Å; L266-Y315 HydrophobicContact CD2-CG 4.32Å
267	L	93.2	Very high	94.9	Very high	69 Å²	69	31 Å²	31	36%	0.361	15%	0.145	S	C	.	.	H	α-helix	trans	-60.9	-37	176.6	-70.2	-178.5	0	0	0	112.9	Y263 V275	Y263-L267 HydrophobicContact CD1-CD1 4.09Å; Y263-L267 HydrophobicContact CE1-CD1 3.47Å; Y263-L267 VanDerWaalsContact CE1-CD1 3.47Å; Y263-L267 HydrophobicContact CE1-CG 4.24Å; Y263-L267 HydrophobicContact CE2-CD1 4.17Å; Y263-L267 HydrophobicContact CE2-CD2 4.2Å; Y263-L267 HydrophobicContact CE2-CG 4.11Å; Y263-L267 WeakPolarHBondContact O-CG 3.48Å; Y263-L267 PolarHBondContact O-N 3Å; L267-V275 HydrophobicContact CD2-CB 4.06Å
268	H	91.1	Very high	94.9	Very high	101 Å²	101	26.6 Å²	26.6	47%	0.468	13%	0.127	S	C	.	.	H	α-helix	trans	-72.8	-35	178.9	-169.1	-103.5	0	0	0	112.2	N264 R265 L266 G344	N264-H268 WeakPolarHBondContact O-CB 3.48Å; N264-H268 PolarHBondContact O-N 2.83Å; R265-H268 PolarHBondContact O-N 3.07Å; L266-H268 VanDerWaalsContact C-N 3.29Å; L266-H268 PolarHBondContact O-N 3.07Å; H268-G344 PolarHBondContact O-N 2.86Å
269	K	92.3	Very high	94.8	Very high	5 Å²	5	25.5 Å²	25.5	2%	0.022	12%	0.123	C	C	.	.	H	α-helix	trans	-80.3	-51.4	-177.7	-176	165.5	-176.2	138.4	0	112.5	E199 R265 L266 Y315 D340 V343 G344 F347	E199-K269 WeakPolarHBondContact OE1-CE 3.21Å; E199-K269 IonicContact OE1-NZ 3.51Å; E199-K269 PolarHBondContact OE1-NZ 3.2Å; E199-K269 WeakPolarHBondContact OE2-CE 3.47Å; E199-K269 IonicContact OE2-NZ 2.66Å; E199-K269 PolarHBondContact OE2-NZ 3.42Å; R265-K269 WeakPolarHBondContact O-CB 3.35Å; R265-K269 PolarHBondContact O-N 3.3Å; L266-K269 PolarHBondContact O-N 3.37Å; K269-Y315 HydrophobicContact CD-CD2 3.79Å; K269-Y315 HydrophobicContact CD-CE2 3.5Å; K269-Y315 VanDerWaalsContact CD-CE2 3.5Å; K269-D340 IonicContact NZ-OD1 2.71Å; K269-D340 IonicContact NZ-OD2 3Å; K269-D340 PolarHBondContact NZ-OD2 3.33Å; K269-V343 HydrophobicContact CB-CG1 4.13Å; K269-V343 HydrophobicContact CG-CG1 4.28Å; K269-G344 PolarHBondContact O-N 3.44Å; K269-F347 WeakPolarHBondContact O-CB 3.41Å
270	F	94	Very high	94	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.022	16%	0.156	C	C	.	.			trans	-102.9	105.7	-168.1	-57.1	-67.3	0	0	0	111.4	Y201 L266 I273 V311 L312 Y315 F347	Y201-F270 HydrophobicContact CE2-CE1 4.48Å; L266-F270 HydrophobicContact CB-CD2 4.41Å; L266-F270 HydrophobicContact CD2-CD2 3.97Å; L266-F270 HydrophobicContact CD2-CE2 3.65Å; L266-F270 WeakPolarHBondContact O-CD2 3.3Å; L266-F270 PolarHBondContact O-N 3.46Å; F270-I273 HydrophobicContact CB-CB 3.98Å; F270-I273 HydrophobicContact CB-CD1 4.07Å; F270-I273 HydrophobicContact CB-CG1 4.23Å; F270-I273 HydrophobicContact CD1-CD1 3.71Å; F270-I273 HydrophobicContact CE1-CD1 4.36Å; F270-I273 HydrophobicContact CG-CD1 4.01Å; F270-V311 HydrophobicContact CD1-CG1 4.14Å; F270-V311 HydrophobicContact CE1-CG1 3.62Å; F270-V311 HydrophobicContact CZ-CG1 4.16Å; F270-L312 HydrophobicContact CD2-CD2 3.5Å; F270-L312 VanDerWaalsContact CD2-CD2 3.5Å; F270-L312 HydrophobicContact CE2-CD2 3.68Å; F270-L312 HydrophobicContact CG-CD2 4.08Å; F270-L312 HydrophobicContact CZ-CD2 4.38Å; F270-Y315 HydrophobicContact CE2-CD2 4.45Å; F270-Y315 HydrophobicContact CE2-CG 4.17Å; F270-Y315 HydrophobicContact CZ-CD2 4.28Å; F270-Y315 HydrophobicContact CZ-CG 4.25Å; F270-F347 HydrophobicContact CD1-CD1 4.45Å; F270-F347 AromaticContact CD1-CD2 3.8Å; F270-F347 HydrophobicContact CD1-CD2 3.8Å; F270-F347 HydrophobicContact CD1-CE1 4.09Å; F270-F347 AromaticContact CD1-CE2 3.4Å; F270-F347 HydrophobicContact CD1-CE2 3.4Å; F270-F347 VanDerWaalsContact CD1-CE2 3.4Å; F270-F347 HydrophobicContact CD1-CG 4.32Å; F270-F347 AromaticContact CD1-CZ 3.56Å; F270-F347 HydrophobicContact CD1-CZ 3.56Å; F270-F347 AromaticContact CE1-CD2 3.92Å; F270-F347 HydrophobicContact CE1-CD2 3.92Å; F270-F347 AromaticContact CE1-CE2 3.45Å; F270-F347 HydrophobicContact CE1-CE2 3.45Å; F270-F347 VanDerWaalsContact CE1-CE2 3.45Å; F270-F347 HydrophobicContact CE1-CZ 4Å
271	T	90.4	Very high	93.4	Very high	24 Å²	24	37.6 Å²	37.6	15%	0.147	18%	0.176	C	C	.	.	S	Bend	trans	-91.4	-22.1	-174.9	48.1	0	0	0	0	114.5	M348 L477	T271-M348 WeakPolarHBondContact OG1-CE 3.48Å; T271-L477 WeakPolarHBondContact O-CD1 3.25Å
272	V	92.5	Very high	92.6	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	19%	0.19	C	C	.	.	S	Bend	trans	-111.3	5.1	-178.3	-68	0	0	0	0	113.4	F347 M348 I474 L477 V512 A515	V272-F347 HydrophobicContact CG2-CE1 3.87Å; V272-M348 HydrophobicContact CB-CE 4.23Å; V272-M348 HydrophobicContact CG1-CE 3.43Å; V272-M348 VanDerWaalsContact CG1-CE 3.43Å; V272-M348 HydrophobicContact CG1-SD 4.45Å; V272-M348 HydrophobicContact CG2-CE 3.82Å; V272-M348 HydrophobicContact CG2-SD 4.41Å; V272-I474 HydrophobicContact CB-CG2 4.44Å; V272-L477 HydrophobicContact CG1-CD1 4.09Å; V272-V512 HydrophobicContact CG1-CG1 4.29Å; V272-A515 HydrophobicContact CB-CB 4.41Å; V272-A515 HydrophobicContact CG2-CB 3.79Å
273	I	96	Very high	91.3	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.031	23%	0.225	C	C	.	.	S	Bend	trans	-107.2	135.6	179.4	-59.1	179.7	0	0	0	108.7	W212 F270 V275 H309 V311 L312 F347	W212-I273 HydrophobicContact CZ2-CD1 4.49Å; W212-I273 HydrophobicContact CZ2-CG1 4.24Å; F270-I273 HydrophobicContact CB-CB 3.98Å; F270-I273 HydrophobicContact CB-CD1 4.07Å; F270-I273 HydrophobicContact CB-CG1 4.23Å; F270-I273 HydrophobicContact CD1-CD1 3.71Å; F270-I273 HydrophobicContact CE1-CD1 4.36Å; F270-I273 HydrophobicContact CG-CD1 4.01Å; I273-V275 PolarHBondContact O-N 3.39Å; I273-H309 WeakPolarHBondContact CG2-NE2 3.39Å; I273-V311 HydrophobicContact CD1-CB 3.63Å; I273-V311 HydrophobicContact CD1-CG1 3.35Å; I273-V311 HydrophobicContact CD1-CG2 4.06Å; I273-L312 HydrophobicContact CD1-CD2 4.39Å; I273-L312 HydrophobicContact CG2-CD1 4.1Å; I273-L312 HydrophobicContact CG2-CD2 3.89Å; I273-L312 HydrophobicContact CG2-CG 4.05Å; I273-F347 HydrophobicContact CD1-CZ 4.06Å
274	S	96.4	Very high	90.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.007	26%	0.255	C	S	.	.			trans	-82	96.9	177.5	-171.3	0	0	0	0	110.4	L467 N470 E519	S274-L467 VanDerWaalsContact O-CD2 3.31Å; S274-L467 WeakPolarHBondContact O-CD2 3.46Å; S274-L467 WeakPolarHBondContact OG-CA 3.32Å; S274-L467 PolarHBondContact OG-O 2.94Å; S274-N470 WeakPolarHBondContact OG-CB 3.49Å; S274-N470 PolarHBondContact OG-ND2 2.98Å; S274-E519 WeakPolarHBondContact CB-OE1 3.46Å; S274-E519 PolarHBondContact N-OE1 2.85Å
275	V	95.8	Very high	89.4	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-81.7	122.8	176.9	-175.8	0	0	0	0	109.8	Y263 L266 L267 I273 L312 N470	Y263-V275 HydrophobicContact CD2-CG1 3.87Å; Y263-V275 HydrophobicContact CE2-CG1 3.88Å; L266-V275 HydrophobicContact CB-CG1 3.99Å; L266-V275 HydrophobicContact CB-CG2 4.11Å; L266-V275 HydrophobicContact CD1-CG1 4.11Å; L267-V275 HydrophobicContact CD2-CB 4.06Å; I273-V275 PolarHBondContact O-N 3.39Å; V275-L312 HydrophobicContact CG2-CD2 4.31Å; V275-N470 PolarHBondContact N-ND2 3.18Å; V275-N470 PolarHBondContact O-ND2 3.38Å
276	P	93.6	Very high	88.6	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-65	140.9	-179.3	26	-34.5	0	0	0	111.5	Y263 W302 H305 M306 L463 L467	Y263-P276 WeakPolarHBondContact CE2-O 3.38Å; P276-W302 HydrophobicContact CG-CG 4.4Å; P276-W302 VanDerWaalsContact O-CD1 3.25Å; P276-W302 PolarHBondContact O-NE1 3.07Å; P276-H305 WeakPolarHBondContact CD-CD2 3.25Å; P276-H305 HydrophobicContact CG-CB 4.22Å; P276-H305 VanDerWaalsContact CG-CD2 3.41Å; P276-H305 WeakPolarHBondContact CG-CD2 3.24Å; P276-M306 HydrophobicContact CG-SD 4.47Å; P276-L463 HydrophobicContact CB-CD1 3.46Å; P276-L463 VanDerWaalsContact CB-CD1 3.46Å; P276-L463 HydrophobicContact CG-CD1 4.32Å; P276-L467 HydrophobicContact CB-CD2 3.89Å; P276-L467 HydrophobicContact CB-CG 4.33Å; P276-L467 HydrophobicContact CG-CD2 4.43Å
277	H	93.8	Very high	88	Confident	80 Å²	80	52.8 Å²	52.8	37%	0.37	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-70.1	146.2	179.7	-62.6	-179.6	0	0	0	111.2	Y263 G466 N470	Y263-H277 PolarHBondContact OH-CD2 3.25Å; H277-G466 PolarHBondContact NE2-O 3.32Å; H277-N470 PolarHBondContact NE2-OD1 2.87Å
278	L	94.8	Very high	87.7	Confident	22 Å²	22	55 Å²	55	12%	0.115	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-74.3	151.8	172.6	-72	176.3	0	0	0	111.4	F259 D260 Y263 L299 W302	F259-L278 HydrophobicContact CB-CD1 4.16Å; F259-L278 HydrophobicContact CB-CD2 4.14Å; D260-L278 VanDerWaalsContact CA-CD1 3.48Å; D260-L278 HydrophobicContact CB-CD1 4.28Å; Y263-L278 VanDerWaalsContact CB-CD1 3.46Å; Y263-L278 HydrophobicContact CD1-CD1 4.17Å; Y263-L278 HydrophobicContact CD1-CG 4.37Å; Y263-L278 HydrophobicContact CD2-CG 4.22Å; Y263-L278 HydrophobicContact CG-CD1 3.86Å; Y263-L278 HydrophobicContact CG-CG 3.9Å; L278-L299 HydrophobicContact CD2-CD2 4.01Å; L278-W302 HydrophobicContact CD2-CD2 3.79Å; L278-W302 HydrophobicContact CD2-CE3 4.43Å; L278-W302 HydrophobicContact CD2-CG 3.91Å; L278-W302 HydrophobicContact CD2-CZ2 4.24Å
279	P	92.1	Very high	87.6	Confident	12 Å²	12	57.8 Å²	57.8	8%	0.078	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-61.6	150.6	171.5	24.8	-31.6	0	0	0	111	Y256 R295 R298 L299	Y256-P279 HydrophobicContact CE2-CG 4.2Å; Y256-P279 VanDerWaalsContact CE2-O 3.24Å; Y256-P279 WeakPolarHBondContact CE2-O 3.47Å; Y256-P279 VanDerWaalsContact CZ-O 3.24Å; Y256-P279 PolarHBondContact OH-O 3.43Å; P279-R295 HydrophobicContact CG-CG 4.02Å; P279-R298 HydrophobicContact CB-CB 3.83Å; P279-R298 HydrophobicContact CB-CG 4.48Å; P279-R298 HydrophobicContact CG-CB 3.94Å; P279-L299 HydrophobicContact CG-CD2 3.96Å; P279-L299 HydrophobicContact CG-CG 4.07Å
280	E	81.6	Confident	87.3	Confident	151 Å²	151	63.7 Å²	63.7	71%	0.706	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-55.5	148.7	-170.1	-68.4	172.1	-169.9	0	0	115.4	R295	E280-R295 PolarHBondContact O-NH2 2.91Å
281	K	84.8	Confident	87.1	Confident	132 Å²	132	64.7 Å²	64.7	57%	0.574	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-76.3	134.1	165.9	-71.6	175.7	-178	171.8	0	108.3	Y256 D260	Y256-K281 HydrophobicContact CD1-CG 4.38Å; Y256-K281 HydrophobicContact CE1-CD 4.23Å; Y256-K281 HydrophobicContact CE1-CG 3.46Å; Y256-K281 VanDerWaalsContact CE1-CG 3.46Å; D260-K281 WeakPolarHBondContact OD1-CE 3.44Å; D260-K281 IonicContact OD1-NZ 3.97Å; D260-K281 PolarHBondContact OD1-NZ 3.37Å; D260-K281 WeakPolarHBondContact OD2-CE 3.45Å; D260-K281 IonicContact OD2-NZ 3.49Å; D260-K281 PolarHBondContact OD2-NZ 2.85Å
282	Q	79.9	Confident	87.1	Confident	80 Å²	80	64.7 Å²	64.7	37%	0.374	33%	0.329	S	S	.	.			trans	-134.1	126.4	176.9	-155.4	179.8	-57.9	0	0	108.4	T284 R286 F291	Q282-T284 VanDerWaalsContact CG-O 3.27Å; Q282-T284 WeakPolarHBondContact CG-O 3.44Å; Q282-T284 PolarHBondContact NE2-O 2.89Å; Q282-R286 WeakPolarHBondContact O-CB 3.48Å; Q282-F291 HydrophobicContact CB-CE1 3.99Å; Q282-F291 HydrophobicContact CB-CE2 3.62Å; Q282-F291 HydrophobicContact CB-CZ 3.25Å; Q282-F291 HydrophobicContact CG-CE2 4.24Å; Q282-F291 HydrophobicContact CG-CZ 4.25Å
283	A	70.3	Confident	87	Confident	89 Å²	89	68.8 Å²	68.8	74%	0.736	35%	0.348	S	S	*	.	S	Bend	trans	-85.3	-55.1	-179.8	0	0	0	0	0	111
284	T	74.6	Confident	86.9	Confident	121 Å²	121	73 Å²	73	74%	0.742	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	144.2	176.1	-49.9	0	0	0	0	110.9	Q282 R286	Q282-T284 VanDerWaalsContact CG-O 3.27Å; Q282-T284 WeakPolarHBondContact CG-O 3.44Å; Q282-T284 PolarHBondContact NE2-O 2.89Å; T284-R286 PolarHBondContact O-N 2.76Å
285	G	78.9	Confident	86.8	Confident	18 Å²	18	74 Å²	74	19%	0.186	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	9.8	179.1	0	0	0	0	0	114.8	F287 E288	G285-F287 PolarHBondContact O-N 3.37Å; G285-E288 WeakPolarHBondContact CA-OE1 3.4Å; G285-E288 VanDerWaalsContact O-CB 3.31Å; G285-E288 WeakPolarHBondContact O-CB 3.45Å; G285-E288 WeakPolarHBondContact O-CG 3.39Å; G285-E288 PolarHBondContact O-N 3.22Å
286	R	78.9	Confident	86.7	Confident	110 Å²	110	75.9 Å²	75.9	42%	0.415	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-10.3	-176.8	73.2	180	-175.9	171.6	-2.7	115.6	Q282 T284 F291	Q282-R286 WeakPolarHBondContact O-CB 3.48Å; T284-R286 PolarHBondContact O-N 2.76Å; R286-F291 HydrophobicContact CB-CE1 4.41Å
287	F	83.9	Confident	86.8	Confident	80 Å²	80	78.1 Å²	78.1	35%	0.351	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	3.3	178.2	-60.9	-61.3	0	0	0	113.2	T237 I239 G285	T237-F287 WeakPolarHBondContact OG1-CZ 3.44Å; I239-F287 HydrophobicContact CD1-CD1 4Å; I239-F287 HydrophobicContact CD1-CE1 4.26Å; I239-F287 HydrophobicContact CG1-CD1 4.16Å; I239-F287 HydrophobicContact CG1-CE1 4.28Å; G285-F287 PolarHBondContact O-N 3.37Å
288	E	86.7	Confident	87	Confident	115 Å²	115	76.3 Å²	76.3	54%	0.537	38%	0.376	S	S	.	.			trans	-67.7	138.1	174.1	-69	171.4	-171.2	0	0	110	G285 F291 I292	G285-E288 WeakPolarHBondContact CA-OE1 3.4Å; G285-E288 VanDerWaalsContact O-CB 3.31Å; G285-E288 WeakPolarHBondContact O-CB 3.45Å; G285-E288 WeakPolarHBondContact O-CG 3.39Å; G285-E288 PolarHBondContact O-N 3.22Å; E288-F291 HydrophobicContact CB-CB 4.14Å; E288-F291 WeakPolarHBondContact O-CB 3.19Å; E288-F291 PolarHBondContact O-N 3.5Å; E288-I292 VanDerWaalsContact O-CG1 3.32Å; E288-I292 WeakPolarHBondContact O-CG1 3.45Å; E288-I292 PolarHBondContact O-N 2.93Å
289	E	87.4	Confident	87.1	Confident	160 Å²	160	75.3 Å²	75.3	75%	0.748	37%	0.371	S	S	*	.	H	α-helix	trans	-62.3	-49.6	-174.5	-171.9	169.3	-170	0	0	111.6	F291 I292 E293	E289-F291 PolarHBondContact O-N 3.45Å; E289-I292 PolarHBondContact O-N 2.73Å; E289-I292 VanDerWaalsContact O-N 3.1Å; E289-E293 WeakPolarHBondContact O-CB 3.27Å; E289-E293 PolarHBondContact O-N 2.92Å
290	D	86.6	Confident	87.3	Confident	129 Å²	129	77.1 Å²	77.1	69%	0.69	38%	0.379	S	S	*	.	H	α-helix	trans	-54.6	-40.4	177.1	-68.4	-9.9	0	0	0	112.3	K294	D290-K294 VanDerWaalsContact O-CB 3.25Å; D290-K294 WeakPolarHBondContact O-CB 3.41Å; D290-K294 PolarHBondContact O-N 3.41Å
291	F	89.6	Confident	88.1	Confident	26 Å²	26	70.9 Å²	70.9	11%	0.114	35%	0.351	C	S	.	.	H	α-helix	trans	-68.3	-47.6	178.5	176.1	-108.1	0	0	0	111.8	Q282 R286 E288 E289 E293 K294 R295	Q282-F291 HydrophobicContact CB-CE1 3.99Å; Q282-F291 HydrophobicContact CB-CE2 3.62Å; Q282-F291 HydrophobicContact CB-CZ 3.25Å; Q282-F291 HydrophobicContact CG-CE2 4.24Å; Q282-F291 HydrophobicContact CG-CZ 4.25Å; R286-F291 HydrophobicContact CB-CE1 4.41Å; E288-F291 HydrophobicContact CB-CB 4.14Å; E288-F291 WeakPolarHBondContact O-CB 3.19Å; E288-F291 PolarHBondContact O-N 3.5Å; E289-F291 PolarHBondContact O-N 3.45Å; F291-E293 VanDerWaalsContact C-N 3.3Å; F291-E293 PolarHBondContact O-N 3.35Å; F291-K294 PolarHBondContact O-N 3.47Å; F291-R295 VanDerWaalsContact O-CB 3.32Å; F291-R295 WeakPolarHBondContact O-CB 3.47Å; F291-R295 PolarHBondContact O-N 2.91Å
292	I	91	Very high	88.7	Confident	24 Å²	24	64.7 Å²	64.7	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-43.4	178.2	-72.2	170.7	0	0	0	110.3	P226 I239 E288 E289 R295 K296	P226-I292 HydrophobicContact CB-CG2 3.87Å; P226-I292 HydrophobicContact CG-CG2 3.17Å; I239-I292 HydrophobicContact CD1-CD1 3.83Å; I239-I292 HydrophobicContact CG1-CD1 3.98Å; I239-I292 HydrophobicContact CG1-CG1 4.29Å; E288-I292 VanDerWaalsContact O-CG1 3.32Å; E288-I292 WeakPolarHBondContact O-CG1 3.45Å; E288-I292 PolarHBondContact O-N 2.93Å; E289-I292 PolarHBondContact O-N 2.73Å; E289-I292 VanDerWaalsContact O-N 3.1Å; I292-R295 PolarHBondContact O-N 3.12Å; I292-K296 WeakPolarHBondContact O-CB 3.49Å; I292-K296 PolarHBondContact O-N 3.07Å
293	E	91.4	Very high	89.5	Confident	88 Å²	88	60.9 Å²	60.9	41%	0.411	31%	0.306	S	S	.	.	H	α-helix	trans	-66.4	-48.9	-179.6	-159.1	-157.5	148.2	0	0	111.3	E289 F291 R295 K296 R297	E289-E293 WeakPolarHBondContact O-CB 3.27Å; E289-E293 PolarHBondContact O-N 2.92Å; F291-E293 VanDerWaalsContact C-N 3.3Å; F291-E293 PolarHBondContact O-N 3.35Å; E293-R295 VanDerWaalsContact C-N 3.31Å; E293-R295 PolarHBondContact O-N 2.91Å; E293-K296 WeakPolarHBondContact O-CB 3.37Å; E293-K296 PolarHBondContact O-N 3.04Å; E293-K296 VanDerWaalsContact O-N 3.13Å; E293-R297 WeakPolarHBondContact O-CG 3.26Å; E293-R297 PolarHBondContact O-N 3.37Å; E293-R297 IonicContact OE1-NH1 3.96Å; E293-R297 PolarHBondContact OE1-NH1 3.27Å; E293-R297 IonicContact OE2-NH1 2.87Å
294	K	92.7	Very high	90.8	Very high	95 Å²	95	59.9 Å²	59.9	41%	0.413	29%	0.288	S	S	.	.	H	α-helix	trans	-57.2	-45	174.9	-177.8	179.6	178.3	-177.3	0	111.7	D290 F291 R297 R298	D290-K294 VanDerWaalsContact O-CB 3.25Å; D290-K294 WeakPolarHBondContact O-CB 3.41Å; D290-K294 PolarHBondContact O-N 3.41Å; F291-K294 PolarHBondContact O-N 3.47Å; K294-R297 PolarHBondContact O-N 3.32Å; K294-R298 WeakPolarHBondContact O-CG 3.41Å; K294-R298 PolarHBondContact O-N 3.18Å; K294-R298 VanDerWaalsContact O-N 3.1Å
295	R	94.4	Very high	91.9	Very high	22 Å²	22	54.6 Å²	54.6	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-43.7	176.2	178.8	178.9	-82	170	-9.2	111.4	Y241 Y256 P279 E280 F291 I292 E293 R298 L299	Y241-R295 WeakPolarHBondContact OH-CD 3.35Å; Y241-R295 WeakPolarHBondContact OH-CG 3.4Å; Y256-R295 HydrophobicContact CD2-CG 4.43Å; P279-R295 HydrophobicContact CG-CG 4.02Å; E280-R295 PolarHBondContact O-NH2 2.91Å; F291-R295 VanDerWaalsContact O-CB 3.32Å; F291-R295 WeakPolarHBondContact O-CB 3.47Å; F291-R295 PolarHBondContact O-N 2.91Å; I292-R295 PolarHBondContact O-N 3.12Å; E293-R295 VanDerWaalsContact C-N 3.31Å; E293-R295 PolarHBondContact O-N 2.91Å; R295-R298 PolarHBondContact O-N 3.02Å; R295-L299 HydrophobicContact CG-CD1 3.97Å; R295-L299 HydrophobicContact CG-CG 4.22Å; R295-L299 WeakPolarHBondContact O-CB 3.3Å; R295-L299 VanDerWaalsContact O-CG 3.3Å; R295-L299 WeakPolarHBondContact O-CG 3.45Å; R295-L299 PolarHBondContact O-N 3.28Å
296	K	94.7	Very high	92.8	Very high	40 Å²	40	53.8 Å²	53.8	17%	0.174	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-50.4	176.5	-177.1	-163.3	175.5	-171.2	0	110.9	D225 Y241 I292 E293 R298 L299 I300	D225-K296 IonicContact OD1-NZ 2.81Å; D225-K296 PolarHBondContact OD1-NZ 3.12Å; Y241-K296 HydrophobicContact CE1-CB 4.12Å; Y241-K296 HydrophobicContact CE1-CG 4.49Å; I292-K296 WeakPolarHBondContact O-CB 3.49Å; I292-K296 PolarHBondContact O-N 3.07Å; E293-K296 WeakPolarHBondContact O-CB 3.37Å; E293-K296 PolarHBondContact O-N 3.04Å; E293-K296 VanDerWaalsContact O-N 3.13Å; K296-R298 VanDerWaalsContact C-N 3.32Å; K296-R298 PolarHBondContact O-N 3.13Å; K296-L299 PolarHBondContact O-N 3.05Å; K296-L299 VanDerWaalsContact O-N 3.17Å; K296-I300 HydrophobicContact CG-CD1 4.08Å; K296-I300 WeakPolarHBondContact O-CG1 3.33Å; K296-I300 PolarHBondContact O-N 3.48Å
297	R	94.9	Very high	93.6	Very high	46 Å²	46	49.1 Å²	49.1	17%	0.174	23%	0.23	C	C	.	.	H	α-helix	trans	-56.2	-45.3	178.4	-68	-168.3	-54.4	-97.4	-0.5	111.8	E293 K294 I300 L301 D459	E293-R297 WeakPolarHBondContact O-CG 3.26Å; E293-R297 PolarHBondContact O-N 3.37Å; E293-R297 IonicContact OE1-NH1 3.96Å; E293-R297 PolarHBondContact OE1-NH1 3.27Å; E293-R297 IonicContact OE2-NH1 2.87Å; K294-R297 PolarHBondContact O-N 3.32Å; R297-I300 WeakPolarHBondContact O-CB 3.01Å; R297-I300 PolarHBondContact O-N 3.29Å; R297-L301 WeakPolarHBondContact O-CG 3.4Å; R297-L301 PolarHBondContact O-N 3.02Å; R297-L301 VanDerWaalsContact O-N 3.1Å; R297-D459 IonicContact CZ-OD2 3.89Å; R297-D459 IonicContact NE-OD2 3.6Å; R297-D459 PolarHBondContact NE-OD2 3.34Å; R297-D459 IonicContact NH2-OD2 2.7Å; R297-D459 PolarHBondContact NH2-OD2 3.15Å
298	R	96.8	Very high	94.2	Very high	43 Å²	43	47.7 Å²	47.7	16%	0.162	23%	0.231	C	C	.	.	H	α-helix	trans	-68.5	-36.3	177.3	-68.7	-177.7	177.8	-153.8	-8.8	113.6	P279 K294 R295 K296 I300 L301 W302 D459 S462	P279-R298 HydrophobicContact CB-CB 3.83Å; P279-R298 HydrophobicContact CB-CG 4.48Å; P279-R298 HydrophobicContact CG-CB 3.94Å; K294-R298 WeakPolarHBondContact O-CG 3.41Å; K294-R298 PolarHBondContact O-N 3.18Å; K294-R298 VanDerWaalsContact O-N 3.1Å; R295-R298 PolarHBondContact O-N 3.02Å; K296-R298 VanDerWaalsContact C-N 3.32Å; K296-R298 PolarHBondContact O-N 3.13Å; R298-I300 VanDerWaalsContact C-N 3.33Å; R298-L301 PolarHBondContact O-N 3.21Å; R298-W302 WeakPolarHBondContact O-CB 3.32Å; R298-W302 PolarHBondContact O-N 2.87Å; R298-D459 HydrophobicContact CG-CB 4.1Å; R298-D459 WeakPolarHBondContact CG-OD1 3.44Å; R298-D459 IonicContact CZ-OD1 2.7Å; R298-D459 IonicContact NE-OD1 2.98Å; R298-D459 PolarHBondContact NE-OD1 3.38Å; R298-D459 IonicContact NH2-OD1 2.65Å; R298-D459 PolarHBondContact NH2-OD1 2.94Å; R298-S462 PolarHBondContact NH1-OG 3.29Å; R298-S462 VanDerWaalsContact NH1-OG 3.16Å
299	L	97.3	Very high	94.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-35	173.3	-72.6	176.6	0	0	0	112	I223 Y241 F259 L278 P279 R295 K296 W302 M303	I223-L299 HydrophobicContact CD1-CB 4.04Å; I223-L299 WeakPolarHBondContact CD1-O 3.46Å; Y241-L299 HydrophobicContact CD1-CD1 4.41Å; Y241-L299 HydrophobicContact CD2-CD1 3.9Å; Y241-L299 HydrophobicContact CE1-CD1 4.13Å; Y241-L299 HydrophobicContact CE2-CD1 3.6Å; Y241-L299 HydrophobicContact CG-CD1 4.31Å; F259-L299 HydrophobicContact CB-CD2 4.47Å; F259-L299 HydrophobicContact CD1-CD2 3.93Å; F259-L299 HydrophobicContact CE1-CD2 4.26Å; F259-L299 HydrophobicContact CE2-CD1 4.34Å; F259-L299 HydrophobicContact CG-CD2 4.1Å; F259-L299 HydrophobicContact CZ-CD1 4.44Å; L278-L299 HydrophobicContact CD2-CD2 4.01Å; P279-L299 HydrophobicContact CG-CD2 3.96Å; P279-L299 HydrophobicContact CG-CG 4.07Å; R295-L299 HydrophobicContact CG-CD1 3.97Å; R295-L299 HydrophobicContact CG-CG 4.22Å; R295-L299 WeakPolarHBondContact O-CB 3.3Å; R295-L299 VanDerWaalsContact O-CG 3.3Å; R295-L299 WeakPolarHBondContact O-CG 3.45Å; R295-L299 PolarHBondContact O-N 3.28Å; K296-L299 PolarHBondContact O-N 3.05Å; K296-L299 VanDerWaalsContact O-N 3.17Å; L299-W302 PolarHBondContact O-N 3.41Å; L299-M303 VanDerWaalsContact O-CB 3.27Å; L299-M303 WeakPolarHBondContact O-CB 3.41Å; L299-M303 PolarHBondContact O-N 3.43Å
300	I	97.1	Very high	95.2	Very high	50 Å²	50	35.4 Å²	35.4	26%	0.256	17%	0.174	S	C	.	.	H	α-helix	trans	-62	-48.1	172.5	-69.5	161.8	0	0	0	110	I223 K296 R297 R298 W302 M303 N304	I223-I300 HydrophobicContact CB-CG1 3.81Å; I223-I300 HydrophobicContact CG2-CG1 4.48Å; K296-I300 HydrophobicContact CG-CD1 4.08Å; K296-I300 WeakPolarHBondContact O-CG1 3.33Å; K296-I300 PolarHBondContact O-N 3.48Å; R297-I300 WeakPolarHBondContact O-CB 3.01Å; R297-I300 PolarHBondContact O-N 3.29Å; R298-I300 VanDerWaalsContact C-N 3.33Å; I300-W302 VanDerWaalsContact C-N 3.34Å; I300-W302 PolarHBondContact O-N 3.35Å; I300-M303 PolarHBondContact O-N 3.19Å; I300-N304 WeakPolarHBondContact O-CB 3.48Å; I300-N304 PolarHBondContact O-N 2.96Å; I300-N304 PolarHBondContact O-OD1 3.4Å
301	L	97.4	Very high	95.7	Very high	21 Å²	21	29.3 Å²	29.3	11%	0.11	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-44.9	177	-67.2	-179	0	0	0	112.2	R297 R298 N304 H305 D459 K460 L463	R297-L301 WeakPolarHBondContact O-CG 3.4Å; R297-L301 PolarHBondContact O-N 3.02Å; R297-L301 VanDerWaalsContact O-N 3.1Å; R298-L301 PolarHBondContact O-N 3.21Å; L301-N304 PolarHBondContact O-N 2.96Å; L301-H305 PolarHBondContact O-N 3.5Å; L301-H305 VanDerWaalsContact O-N 3.08Å; L301-D459 VanDerWaalsContact CD1-C 3.46Å; L301-D459 HydrophobicContact CD1-CB 3.81Å; L301-D459 WeakPolarHBondContact CD1-O 3.46Å; L301-K460 HydrophobicContact CD1-CD 4.09Å; L301-K460 HydrophobicContact CD1-CG 4.22Å; L301-K460 HydrophobicContact CD2-CD 3.69Å; L301-K460 HydrophobicContact CD2-CG 4.41Å; L301-L463 HydrophobicContact CB-CD2 4.43Å
302	W	97.8	Very high	96.1	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-58.5	-50.8	175.3	-174.7	91	0	0	0	111.1	F259 L262 L266 P276 L278 R298 L299 I300 N304 H305 M306	F259-W302 HydrophobicContact CD1-CE3 4.18Å; F259-W302 AromaticContact CD1-CZ3 3.99Å; F259-W302 HydrophobicContact CD1-CZ3 3.99Å; F259-W302 HydrophobicContact CE1-CZ3 4.48Å; L262-W302 HydrophobicContact CD2-CH2 3.74Å; L262-W302 HydrophobicContact CD2-CZ3 4.35Å; L262-W302 HydrophobicContact CG-CH2 4.24Å; L266-W302 HydrophobicContact CD1-CH2 4.18Å; L266-W302 HydrophobicContact CD1-CZ2 3.88Å; P276-W302 HydrophobicContact CG-CG 4.4Å; P276-W302 VanDerWaalsContact O-CD1 3.25Å; P276-W302 PolarHBondContact O-NE1 3.07Å; L278-W302 HydrophobicContact CD2-CD2 3.79Å; L278-W302 HydrophobicContact CD2-CE3 4.43Å; L278-W302 HydrophobicContact CD2-CG 3.91Å; L278-W302 HydrophobicContact CD2-CZ2 4.24Å; R298-W302 WeakPolarHBondContact O-CB 3.32Å; R298-W302 PolarHBondContact O-N 2.87Å; L299-W302 PolarHBondContact O-N 3.41Å; I300-W302 VanDerWaalsContact C-N 3.34Å; I300-W302 PolarHBondContact O-N 3.35Å; W302-N304 PolarHBondContact O-N 3.25Å; W302-H305 WeakPolarHBondContact O-CB 3.08Å; W302-H305 PolarHBondContact O-N 2.99Å; W302-M306 HydrophobicContact CD2-CG 3.85Å; W302-M306 HydrophobicContact CE3-CG 3.75Å; W302-M306 HydrophobicContact CH2-CE 4.34Å; W302-M306 HydrophobicContact CH2-CG 3.62Å; W302-M306 HydrophobicContact CH2-SD 4.09Å; W302-M306 HydrophobicContact CZ2-CE 4.41Å; W302-M306 HydrophobicContact CZ2-CG 3.73Å; W302-M306 HydrophobicContact CZ2-SD 3.76Å; W302-M306 HydrophobicContact CZ3-CG 3.63Å; W302-M306 VanDerWaalsContact O-CG 3.26Å; W302-M306 WeakPolarHBondContact O-CG 3.26Å; W302-M306 PolarHBondContact O-N 2.89Å
303	M	97.8	Very high	96.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-43.5	179.4	-177.7	59.4	67.3	0	0	112.4	C221 I223 V243 F259 L299 I300 H305 M306 T307 F318 F321 L322	C221-M303 HydrophobicContact CB-CG 3.67Å; C221-M303 HydrophobicContact CB-SD 3.77Å; I223-M303 HydrophobicContact CD1-CB 3.71Å; I223-M303 HydrophobicContact CD1-CE 4.22Å; I223-M303 HydrophobicContact CD1-CG 4.12Å; I223-M303 HydrophobicContact CG1-CB 4.31Å; I223-M303 HydrophobicContact CG1-CG 4.28Å; V243-M303 HydrophobicContact CG1-CE 4.19Å; F259-M303 HydrophobicContact CE1-CE 3.93Å; L299-M303 VanDerWaalsContact O-CB 3.27Å; L299-M303 WeakPolarHBondContact O-CB 3.41Å; L299-M303 PolarHBondContact O-N 3.43Å; I300-M303 PolarHBondContact O-N 3.19Å; M303-H305 VanDerWaalsContact C-N 3.32Å; M303-H305 PolarHBondContact O-N 3.3Å; M303-M306 WeakPolarHBondContact O-CB 3.45Å; M303-M306 PolarHBondContact O-N 2.84Å; M303-T307 HydrophobicContact CG-CG2 4.5Å; M303-T307 WeakPolarHBondContact O-CG2 3.11Å; M303-T307 PolarHBondContact O-N 2.99Å; M303-T307 PolarHBondContact O-OG1 2.89Å; M303-T307 VanDerWaalsContact O-OG1 3.12Å; M303-T307 HydrophobicContact SD-CG2 4.12Å; M303-F318 HydrophobicContact CE-CE2 4.06Å; M303-F318 HydrophobicContact SD-CE2 3.71Å; M303-F318 HydrophobicContact SD-CZ 3.56Å; M303-F318 VanDerWaalsContact SD-CZ 3.56Å; M303-F321 HydrophobicContact CE-CE1 3.84Å; M303-L322 HydrophobicContact CE-CD2 4.16Å; M303-L322 HydrophobicContact SD-CD2 4.2Å
304	N	96.9	Very high	96.5	Very high	67 Å²	67	26.8 Å²	26.8	36%	0.358	13%	0.131	S	C	.	.	H	α-helix	trans	-58.7	-46.5	177.2	-72.6	-11.6	0	0	0	110.9	I300 L301 W302 M306 T307 S308	I300-N304 WeakPolarHBondContact O-CB 3.48Å; I300-N304 PolarHBondContact O-N 2.96Å; I300-N304 PolarHBondContact O-OD1 3.4Å; L301-N304 PolarHBondContact O-N 2.96Å; W302-N304 PolarHBondContact O-N 3.25Å; N304-M306 PolarHBondContact O-N 3.31Å; N304-T307 PolarHBondContact O-N 2.74Å; N304-T307 PolarHBondContact O-OG1 3.19Å; N304-S308 WeakPolarHBondContact O-CB 3.38Å; N304-S308 PolarHBondContact O-N 3.2Å; N304-S308 PolarHBondContact O-OG 2.87Å; N304-S308 VanDerWaalsContact O-OG 3.12Å
305	H	97.3	Very high	96.6	Very high	11 Å²	11	22.5 Å²	22.5	5%	0.051	11%	0.112	C	C	.	.	H	α-helix	trans	-60.3	-44.6	175.8	-176.3	92.1	0	0	0	112	P276 L301 W302 M303 T307 S308 H309	P276-H305 WeakPolarHBondContact CD-CD2 3.25Å; P276-H305 HydrophobicContact CG-CB 4.22Å; P276-H305 VanDerWaalsContact CG-CD2 3.41Å; P276-H305 WeakPolarHBondContact CG-CD2 3.24Å; L301-H305 PolarHBondContact O-N 3.5Å; L301-H305 VanDerWaalsContact O-N 3.08Å; W302-H305 WeakPolarHBondContact O-CB 3.08Å; W302-H305 PolarHBondContact O-N 2.99Å; M303-H305 VanDerWaalsContact C-N 3.32Å; M303-H305 PolarHBondContact O-N 3.3Å; H305-T307 VanDerWaalsContact C-N 3.33Å; H305-T307 PolarHBondContact O-N 2.85Å; H305-S308 WeakPolarHBondContact CA-OG 3.43Å; H305-S308 PolarHBondContact O-N 3.03Å; H305-S308 PolarHBondContact O-OG 2.97Å; H305-S308 VanDerWaalsContact O-OG 3.07Å; H305-H309 WeakPolarHBondContact O-CB 3.44Å; H305-H309 PolarHBondContact O-N 3.42Å
306	M	97.4	Very high	96.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.5	-42.7	176.8	-67.8	-56.6	-57	0	0	112.3	L266 P276 W302 M303 N304 L312 S313 F318	L266-M306 HydrophobicContact CD1-CE 3.23Å; L266-M306 HydrophobicContact CD1-SD 3.91Å; L266-M306 HydrophobicContact CD2-CE 3.87Å; L266-M306 HydrophobicContact CG-CE 4.18Å; P276-M306 HydrophobicContact CG-SD 4.47Å; W302-M306 HydrophobicContact CD2-CG 3.85Å; W302-M306 HydrophobicContact CE3-CG 3.75Å; W302-M306 HydrophobicContact CH2-CE 4.34Å; W302-M306 HydrophobicContact CH2-CG 3.62Å; W302-M306 HydrophobicContact CH2-SD 4.09Å; W302-M306 HydrophobicContact CZ2-CE 4.41Å; W302-M306 HydrophobicContact CZ2-CG 3.73Å; W302-M306 HydrophobicContact CZ2-SD 3.76Å; W302-M306 HydrophobicContact CZ3-CG 3.63Å; W302-M306 VanDerWaalsContact O-CG 3.26Å; W302-M306 WeakPolarHBondContact O-CG 3.26Å; W302-M306 PolarHBondContact O-N 2.89Å; M303-M306 WeakPolarHBondContact O-CB 3.45Å; M303-M306 PolarHBondContact O-N 2.84Å; N304-M306 PolarHBondContact O-N 3.31Å; M306-L312 HydrophobicContact CE-CB 3.62Å; M306-L312 HydrophobicContact CE-CD1 3.92Å; M306-L312 HydrophobicContact CE-CG 4.23Å; M306-L312 HydrophobicContact SD-CB 4.46Å; M306-L312 HydrophobicContact SD-CD1 3.76Å; M306-S313 WeakPolarHBondContact O-CB 3.15Å; M306-S313 PolarHBondContact O-N 3.49Å; M306-F318 HydrophobicContact CB-CE1 4.16Å; M306-F318 HydrophobicContact CB-CE2 4.39Å; M306-F318 HydrophobicContact CB-CZ 3.83Å
307	T	96.9	Very high	96.6	Very high	12 Å²	12	24.7 Å²	24.7	7%	0.074	13%	0.125	C	C	.	.	H	α-helix	trans	-75.8	-28.4	-180	55.6	0	0	0	0	113.8	F219 C221 M303 N304 H305 S313 F318	F219-T307 HydrophobicContact CD2-CG2 4.12Å; F219-T307 HydrophobicContact CE2-CG2 3.61Å; F219-T307 HydrophobicContact CZ-CG2 4.28Å; F219-T307 WeakPolarHBondContact O-CB 3.49Å; C221-T307 HydrophobicContact CB-CG2 3.82Å; M303-T307 HydrophobicContact CG-CG2 4.5Å; M303-T307 WeakPolarHBondContact O-CG2 3.11Å; M303-T307 PolarHBondContact O-N 2.99Å; M303-T307 PolarHBondContact O-OG1 2.89Å; M303-T307 VanDerWaalsContact O-OG1 3.12Å; M303-T307 HydrophobicContact SD-CG2 4.12Å; N304-T307 PolarHBondContact O-N 2.74Å; N304-T307 PolarHBondContact O-OG1 3.19Å; H305-T307 VanDerWaalsContact C-N 3.33Å; H305-T307 PolarHBondContact O-N 2.85Å; T307-S313 WeakPolarHBondContact O-CB 3.5Å; T307-F318 HydrophobicContact CG2-CE1 4.11Å; T307-F318 HydrophobicContact CG2-CZ 3.91Å
308	S	96.1	Very high	96.7	Very high	51 Å²	51	22.5 Å²	22.5	36%	0.357	12%	0.116	S	C	.	.	H	α-helix	trans	-81.8	-22.5	177.7	63.4	0	0	0	0	113.1	N304 H305 P310	N304-S308 WeakPolarHBondContact O-CB 3.38Å; N304-S308 PolarHBondContact O-N 3.2Å; N304-S308 PolarHBondContact O-OG 2.87Å; N304-S308 VanDerWaalsContact O-OG 3.12Å; H305-S308 WeakPolarHBondContact CA-OG 3.43Å; H305-S308 PolarHBondContact O-N 3.03Å; H305-S308 PolarHBondContact O-OG 2.97Å; H305-S308 VanDerWaalsContact O-OG 3.07Å; S308-P310 WeakPolarHBondContact O-CD 3.46Å
309	H	97.9	Very high	96.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-73.1	123.9	-178.7	-169.2	-60.5	0	0	0	111.1	W212 I273 H305 V311 L312 S313 E519 H522	W212-H309 AromaticContact NE1-CE1 3.91Å; I273-H309 WeakPolarHBondContact CG2-NE2 3.39Å; H305-H309 WeakPolarHBondContact O-CB 3.44Å; H305-H309 PolarHBondContact O-N 3.42Å; H309-V311 VanDerWaalsContact C-N 3.34Å; H309-V311 PolarHBondContact ND1-N 3.02Å; H309-V311 PolarHBondContact O-N 3.49Å; H309-L312 HydrophobicContact CB-CB 3.96Å; H309-L312 HydrophobicContact CB-CD1 3.93Å; H309-L312 HydrophobicContact CB-CG 4Å; H309-L312 PolarHBondContact ND1-N 3.11Å; H309-S313 VanDerWaalsContact O-CB 3.28Å; H309-S313 WeakPolarHBondContact O-CB 3.45Å; H309-S313 PolarHBondContact O-N 2.99Å; H309-S313 VanDerWaalsContact O-N 3.11Å; H309-S313 PolarHBondContact O-OG 3.37Å; H309-E519 IonicContact CE1-OE2 3.54Å; H309-E519 IonicContact NE2-OE1 2.72Å; H309-E519 IonicContact NE2-OE2 3.52Å; H309-E519 PolarHBondContact NE2-OE2 2.91Å; H309-H522 AromaticContact CD2-CD2 3.32Å; H309-H522 PolarHBondContact CD2-CD2 3.36Å; H309-H522 AromaticContact CD2-NE2 3.37Å; H309-H522 PolarHBondContact CD2-NE2 3.37Å; H309-H522 AromaticContact CG-NE2 3.8Å; H309-H522 AromaticContact NE2-CD2 3.66Å
310	P	97.3	Very high	96.5	Very high	16 Å²	16	27 Å²	27	10%	0.104	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-37.6	-174.5	-26.3	35.5	0	0	0	114.2	W212 K213 S308 Q314	W212-P310 HydrophobicContact CB-CB 3.86Å; W212-P310 HydrophobicContact CB-CG 3.88Å; K213-P310 VanDerWaalsContact O-CB 3.3Å; K213-P310 WeakPolarHBondContact O-CB 3.43Å; S308-P310 WeakPolarHBondContact O-CD 3.46Å; P310-Q314 PolarHBondContact O-NE2 3.26Å
311	V	96.9	Very high	96.5	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-56.3	175.6	179.7	0	0	0	0	112.8	Y201 W212 F270 I273 H309 S313 Q314 F347	Y201-V311 HydrophobicContact CD1-CB 4.1Å; Y201-V311 HydrophobicContact CD1-CG1 3.62Å; Y201-V311 HydrophobicContact CD1-CG2 4.08Å; Y201-V311 HydrophobicContact CD2-CG1 4.28Å; Y201-V311 HydrophobicContact CE1-CB 4.4Å; Y201-V311 HydrophobicContact CE1-CG1 3.65Å; Y201-V311 HydrophobicContact CE2-CG1 4.34Å; Y201-V311 HydrophobicContact CG-CG1 3.94Å; Y201-V311 HydrophobicContact CG-CG2 4.27Å; W212-V311 HydrophobicContact CD2-CG2 3.67Å; W212-V311 HydrophobicContact CE3-CG2 3.56Å; W212-V311 HydrophobicContact CG-CG2 4.24Å; W212-V311 HydrophobicContact CH2-CG2 4.22Å; W212-V311 HydrophobicContact CZ2-CG2 4.3Å; W212-V311 HydrophobicContact CZ3-CG2 3.84Å; F270-V311 HydrophobicContact CD1-CG1 4.14Å; F270-V311 HydrophobicContact CE1-CG1 3.62Å; F270-V311 HydrophobicContact CZ-CG1 4.16Å; I273-V311 HydrophobicContact CD1-CB 3.63Å; I273-V311 HydrophobicContact CD1-CG1 3.35Å; I273-V311 HydrophobicContact CD1-CG2 4.06Å; H309-V311 VanDerWaalsContact C-N 3.34Å; H309-V311 PolarHBondContact ND1-N 3.02Å; H309-V311 PolarHBondContact O-N 3.49Å; V311-S313 VanDerWaalsContact C-N 3.29Å; V311-S313 PolarHBondContact O-N 2.97Å; V311-Q314 PolarHBondContact O-N 2.88Å; V311-F347 HydrophobicContact CG1-CZ 4.43Å
312	L	97.1	Very high	96.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-61.4	-34.7	-172.5	-53.8	174.9	0	0	0	113.5	L266 F270 I273 V275 M306 H309 Q314 Y315	L266-L312 HydrophobicContact CD2-CD2 4.22Å; F270-L312 HydrophobicContact CD2-CD2 3.5Å; F270-L312 VanDerWaalsContact CD2-CD2 3.5Å; F270-L312 HydrophobicContact CE2-CD2 3.68Å; F270-L312 HydrophobicContact CG-CD2 4.08Å; F270-L312 HydrophobicContact CZ-CD2 4.38Å; I273-L312 HydrophobicContact CD1-CD2 4.39Å; I273-L312 HydrophobicContact CG2-CD1 4.1Å; I273-L312 HydrophobicContact CG2-CD2 3.89Å; I273-L312 HydrophobicContact CG2-CG 4.05Å; V275-L312 HydrophobicContact CG2-CD2 4.31Å; M306-L312 HydrophobicContact CE-CB 3.62Å; M306-L312 HydrophobicContact CE-CD1 3.92Å; M306-L312 HydrophobicContact CE-CG 4.23Å; M306-L312 HydrophobicContact SD-CB 4.46Å; M306-L312 HydrophobicContact SD-CD1 3.76Å; H309-L312 HydrophobicContact CB-CB 3.96Å; H309-L312 HydrophobicContact CB-CD1 3.93Å; H309-L312 HydrophobicContact CB-CG 4Å; H309-L312 PolarHBondContact ND1-N 3.11Å; L312-Q314 PolarHBondContact O-N 3.35Å; L312-Y315 WeakPolarHBondContact O-CB 3.28Å; L312-Y315 PolarHBondContact O-N 3.01Å
313	S	96.4	Very high	96.2	Very high	8 Å²	8	27.3 Å²	27.3	6%	0.056	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-65.6	-18	178.6	60.6	0	0	0	0	114.1	N215 M306 T307 H309 V311	N215-S313 PolarHBondContact ND2-OG 3.32Å; M306-S313 WeakPolarHBondContact O-CB 3.15Å; M306-S313 PolarHBondContact O-N 3.49Å; T307-S313 WeakPolarHBondContact O-CB 3.5Å; H309-S313 VanDerWaalsContact O-CB 3.28Å; H309-S313 WeakPolarHBondContact O-CB 3.45Å; H309-S313 PolarHBondContact O-N 2.99Å; H309-S313 VanDerWaalsContact O-N 3.11Å; H309-S313 PolarHBondContact O-OG 3.37Å; V311-S313 VanDerWaalsContact C-N 3.29Å; V311-S313 PolarHBondContact O-N 2.97Å
314	Q	95.2	Very high	96	Very high	77 Å²	77	27.9 Å²	27.9	36%	0.36	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-98.8	1	-179.9	-64.3	-176.9	75.7	0	0	113.1	Y201 N215 P310 V311 L312 E316	Y201-Q314 HydrophobicContact CE1-CB 4.19Å; N215-Q314 HydrophobicContact CB-CG 4.33Å; P310-Q314 PolarHBondContact O-NE2 3.26Å; V311-Q314 PolarHBondContact O-N 2.88Å; L312-Q314 PolarHBondContact O-N 3.35Å; Q314-E316 PolarHBondContact O-N 3.45Å
315	Y	95.1	Very high	95.6	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.016	16%	0.159	C	C	.	.			trans	-69.2	124.9	-178.1	172.8	-132.4	0	0	0	112	L262 R265 L266 K269 F270 L312 G317 F318 E319	L262-Y315 HydrophobicContact CD1-CD1 4.17Å; L262-Y315 HydrophobicContact CD1-CE1 3.85Å; R265-Y315 HydrophobicContact CB-CE1 4.49Å; L266-Y315 HydrophobicContact CD2-CD1 3.53Å; L266-Y315 HydrophobicContact CD2-CE1 3.96Å; L266-Y315 HydrophobicContact CD2-CG 4.32Å; K269-Y315 HydrophobicContact CD-CD2 3.79Å; K269-Y315 HydrophobicContact CD-CE2 3.5Å; K269-Y315 VanDerWaalsContact CD-CE2 3.5Å; F270-Y315 HydrophobicContact CE2-CD2 4.45Å; F270-Y315 HydrophobicContact CE2-CG 4.17Å; F270-Y315 HydrophobicContact CZ-CD2 4.28Å; F270-Y315 HydrophobicContact CZ-CG 4.25Å; L312-Y315 WeakPolarHBondContact O-CB 3.28Å; L312-Y315 PolarHBondContact O-N 3.01Å; Y315-G317 PolarHBondContact O-N 3.4Å; Y315-F318 HydrophobicContact CD1-CB 3.85Å; Y315-F318 HydrophobicContact CG-CB 4.39Å; Y315-F318 WeakPolarHBondContact O-CA 3.5Å; Y315-F318 WeakPolarHBondContact O-CB 3.46Å; Y315-F318 PolarHBondContact O-N 3.16Å; Y315-E319 PolarHBondContact O-N 2.95Å
316	E	93.9	Very high	95.4	Very high	105 Å²	105	31.5 Å²	31.5	49%	0.491	18%	0.175	S	C	.	.	H	α-helix	trans	-54.8	-38.1	179.2	-171.3	-171.1	165.7	0	0	112.4	Q314 F318 E319 H320 R336	Q314-E316 PolarHBondContact O-N 3.45Å; E316-F318 VanDerWaalsContact C-N 3.29Å; E316-F318 PolarHBondContact O-N 2.69Å; E316-E319 PolarHBondContact O-N 3.33Å; E316-H320 WeakPolarHBondContact O-CB 3.19Å; E316-H320 PolarHBondContact O-N 3.22Å; E316-R336 WeakPolarHBondContact OE1-CD 3.34Å; E316-R336 IonicContact OE1-CZ 3.93Å; E316-R336 IonicContact OE1-NH1 2.92Å; E316-R336 PolarHBondContact OE1-NH1 3.5Å
317	G	95	Very high	95	Very high	3 Å²	3	37 Å²	37	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-68	-29	177.1	0	0	0	0	0	113.2	Y315 F321	Y315-G317 PolarHBondContact O-N 3.4Å; G317-F321 WeakPolarHBondContact O-CB 3.47Å; G317-F321 PolarHBondContact O-N 3.11Å
318	F	96.6	Very high	94.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-76.3	-40.3	172.5	-178.8	-136.9	0	0	0	111.3	F219 L262 M303 M306 T307 Y315 E316 H320 F321 L322	F219-F318 HydrophobicContact CE2-CE1 4.44Å; F219-F318 HydrophobicContact CZ-CE1 4.02Å; L262-F318 HydrophobicContact CD1-CB 4.36Å; L262-F318 HydrophobicContact CD2-CD2 3.57Å; L262-F318 HydrophobicContact CD2-CE2 4.23Å; L262-F318 HydrophobicContact CD2-CG 4.47Å; M303-F318 HydrophobicContact CE-CE2 4.06Å; M303-F318 HydrophobicContact SD-CE2 3.71Å; M303-F318 HydrophobicContact SD-CZ 3.56Å; M303-F318 VanDerWaalsContact SD-CZ 3.56Å; M306-F318 HydrophobicContact CB-CE1 4.16Å; M306-F318 HydrophobicContact CB-CE2 4.39Å; M306-F318 HydrophobicContact CB-CZ 3.83Å; T307-F318 HydrophobicContact CG2-CE1 4.11Å; T307-F318 HydrophobicContact CG2-CZ 3.91Å; Y315-F318 HydrophobicContact CD1-CB 3.85Å; Y315-F318 HydrophobicContact CG-CB 4.39Å; Y315-F318 WeakPolarHBondContact O-CA 3.5Å; Y315-F318 WeakPolarHBondContact O-CB 3.46Å; Y315-F318 PolarHBondContact O-N 3.16Å; E316-F318 VanDerWaalsContact C-N 3.29Å; E316-F318 PolarHBondContact O-N 2.69Å; F318-H320 PolarHBondContact O-N 3.49Å; F318-F321 HydrophobicContact CD2-CB 4.47Å; F318-F321 HydrophobicContact CD2-CD1 4.23Å; F318-F321 HydrophobicContact CE2-CD1 4.31Å; F318-F321 CarbonylContact O-C 3.37Å; F318-F321 WeakPolarHBondContact O-CA 3.4Å; F318-F321 VanDerWaalsContact O-CB 3.29Å; F318-F321 WeakPolarHBondContact O-CB 3.27Å; F318-F321 PolarHBondContact O-N 2.73Å; F318-F321 VanDerWaalsContact O-N 3.11Å; F318-L322 HydrophobicContact CD1-CD1 4.24Å; F318-L322 HydrophobicContact CD2-CD1 4.23Å; F318-L322 HydrophobicContact CD2-CG 4.1Å; F318-L322 HydrophobicContact CE1-CD1 3.87Å; F318-L322 HydrophobicContact CE2-CD1 3.87Å; F318-L322 HydrophobicContact CE2-CD2 3.92Å; F318-L322 HydrophobicContact CE2-CG 3.85Å; F318-L322 HydrophobicContact CG-CD1 4.43Å; F318-L322 HydrophobicContact CZ-CD1 3.7Å; F318-L322 HydrophobicContact CZ-CD2 4.28Å; F318-L322 HydrophobicContact CZ-CG 4.19Å; F318-L322 WeakPolarHBondContact O-CG 3.47Å; F318-L322 PolarHBondContact O-N 3.4Å
319	E	94.6	Very high	94.6	Very high	100 Å²	100	48.4 Å²	48.4	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-57.5	-50.1	171.9	-170.8	-179.5	-160.1	0	0	110.9	Y315 E316 F321 L322 M323	Y315-E319 PolarHBondContact O-N 2.95Å; E316-E319 PolarHBondContact O-N 3.33Å; E319-F321 VanDerWaalsContact C-N 3.27Å; E319-F321 PolarHBondContact O-N 3Å; E319-L322 PolarHBondContact O-N 3.44Å; E319-M323 HydrophobicContact CG-CE 3.46Å; E319-M323 VanDerWaalsContact CG-CE 3.46Å; E319-M323 HydrophobicContact CG-CG 4.12Å; E319-M323 HydrophobicContact CG-SD 3.65Å; E319-M323 WeakPolarHBondContact O-CB 3.48Å; E319-M323 VanDerWaalsContact O-CG 3.25Å; E319-M323 WeakPolarHBondContact O-CG 3.3Å; E319-M323 PolarHBondContact O-N 3.13Å; E319-M323 VanDerWaalsContact OE1-CE 3.32Å; E319-M323 WeakPolarHBondContact OE1-CE 3.32Å
320	H	95.9	Very high	94.4	Very high	37 Å²	37	49.4 Å²	49.4	17%	0.171	25%	0.252	C	S	.	.	H	α-helix	trans	-57.2	-41	173.4	179.8	70.2	0	0	0	112.1	E316 F318 L322 M323 C324 Q329 W330	E316-H320 WeakPolarHBondContact O-CB 3.19Å; E316-H320 PolarHBondContact O-N 3.22Å; F318-H320 PolarHBondContact O-N 3.49Å; H320-L322 VanDerWaalsContact C-N 3.27Å; H320-L322 PolarHBondContact O-N 2.67Å; H320-M323 PolarHBondContact O-N 2.81Å; H320-C324 VanDerWaalsContact CE1-CB 3.46Å; H320-C324 WeakPolarHBondContact CE1-CB 3.37Å; H320-C324 VanDerWaalsContact CE1-SG 3.56Å; H320-C324 VanDerWaalsContact O-CB 3.26Å; H320-C324 WeakPolarHBondContact O-CB 3.21Å; H320-C324 PolarHBondContact O-N 2.88Å; H320-C324 VanDerWaalsContact O-N 3.12Å; H320-Q329 PolarHBondContact CE1-O 2.79Å; H320-W330 AromaticContact NE2-CE3 3.61Å; H320-W330 PolarHBondContact NE2-O 2.89Å; H320-W330 VanDerWaalsContact NE2-O 3.15Å
321	F	97	Very high	94.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.9	-37.9	173.6	177	-85.3	0	0	0	112.5	V243 R254 H258 F259 L262 M303 G317 F318 E319 W330	V243-F321 HydrophobicContact CG1-CE1 4.46Å; R254-F321 HydrophobicContact CB-CE2 4.15Å; R254-F321 HydrophobicContact CB-CZ 3.79Å; R254-F321 HydrophobicContact CG-CE1 4.01Å; R254-F321 HydrophobicContact CG-CE2 3.83Å; R254-F321 HydrophobicContact CG-CZ 3.53Å; R254-F321 PolarHBondContact NE-O 2.92Å; R254-F321 PolarHBondContact NH2-O 3.08Å; H258-F321 HydrophobicContact CB-CE2 3.9Å; F259-F321 HydrophobicContact CD1-CE1 4.48Å; F259-F321 HydrophobicContact CD1-CE2 4.47Å; F259-F321 AromaticContact CD1-CZ 3.76Å; F259-F321 HydrophobicContact CD1-CZ 3.76Å; F259-F321 HydrophobicContact CD2-CZ 4.13Å; F259-F321 HydrophobicContact CE1-CE1 4.15Å; F259-F321 AromaticContact CE1-CZ 3.67Å; F259-F321 HydrophobicContact CE1-CZ 3.67Å; F259-F321 HydrophobicContact CE2-CZ 4.04Å; F259-F321 HydrophobicContact CG-CE2 4.37Å; F259-F321 AromaticContact CG-CZ 4Å; F259-F321 HydrophobicContact CG-CZ 4Å; F259-F321 HydrophobicContact CZ-CE1 4.44Å; F259-F321 AromaticContact CZ-CZ 3.81Å; F259-F321 HydrophobicContact CZ-CZ 3.81Å; L262-F321 HydrophobicContact CB-CD2 4.15Å; L262-F321 HydrophobicContact CD2-CB 3.89Å; L262-F321 HydrophobicContact CD2-CD1 3.96Å; L262-F321 HydrophobicContact CD2-CD2 3.88Å; L262-F321 HydrophobicContact CD2-CE2 4.43Å; L262-F321 HydrophobicContact CD2-CG 3.64Å; M303-F321 HydrophobicContact CE-CE1 3.84Å; G317-F321 WeakPolarHBondContact O-CB 3.47Å; G317-F321 PolarHBondContact O-N 3.11Å; F318-F321 HydrophobicContact CD2-CB 4.47Å; F318-F321 HydrophobicContact CD2-CD1 4.23Å; F318-F321 HydrophobicContact CE2-CD1 4.31Å; F318-F321 CarbonylContact O-C 3.37Å; F318-F321 WeakPolarHBondContact O-CA 3.4Å; F318-F321 VanDerWaalsContact O-CB 3.29Å; F318-F321 WeakPolarHBondContact O-CB 3.27Å; F318-F321 PolarHBondContact O-N 2.73Å; F318-F321 VanDerWaalsContact O-N 3.11Å; E319-F321 VanDerWaalsContact C-N 3.27Å; E319-F321 PolarHBondContact O-N 3Å; F321-W330 AromaticContact CD2-CH2 3.92Å; F321-W330 HydrophobicContact CD2-CH2 3.92Å
322	L	95.7	Very high	94	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-85.7	-28.7	-177.7	-65.9	176.1	0	0	0	113.8	F219 V243 P245 V252 M303 F318 E319 H320	F219-L322 HydrophobicContact CE2-CD1 3.47Å; F219-L322 VanDerWaalsContact CE2-CD1 3.47Å; F219-L322 HydrophobicContact CZ-CD1 3.72Å; V243-L322 HydrophobicContact CG1-CD2 3.71Å; P245-L322 HydrophobicContact CG-CB 4.34Å; V252-L322 VanDerWaalsContact CG1-O 3.27Å; V252-L322 WeakPolarHBondContact CG1-O 3.48Å; V252-L322 WeakPolarHBondContact CG2-O 3.42Å; M303-L322 HydrophobicContact CE-CD2 4.16Å; M303-L322 HydrophobicContact SD-CD2 4.2Å; F318-L322 HydrophobicContact CD1-CD1 4.24Å; F318-L322 HydrophobicContact CD2-CD1 4.23Å; F318-L322 HydrophobicContact CD2-CG 4.1Å; F318-L322 HydrophobicContact CE1-CD1 3.87Å; F318-L322 HydrophobicContact CE2-CD1 3.87Å; F318-L322 HydrophobicContact CE2-CD2 3.92Å; F318-L322 HydrophobicContact CE2-CG 3.85Å; F318-L322 HydrophobicContact CG-CD1 4.43Å; F318-L322 HydrophobicContact CZ-CD1 3.7Å; F318-L322 HydrophobicContact CZ-CD2 4.28Å; F318-L322 HydrophobicContact CZ-CG 4.19Å; F318-L322 WeakPolarHBondContact O-CG 3.47Å; F318-L322 PolarHBondContact O-N 3.4Å; E319-L322 PolarHBondContact O-N 3.44Å; H320-L322 VanDerWaalsContact C-N 3.27Å; H320-L322 PolarHBondContact O-N 2.67Å
323	M	92.6	Very high	93.9	Very high	79 Å²	79	59 Å²	59	39%	0.389	30%	0.3	S	S	.	.	H	α-helix	trans	-103.2	-29.1	-167.8	-60.6	-162.3	-180	0	0	114.6	H247 I248 E319 H320 A325	H247-M323 WeakPolarHBondContact NE2-CE 3.49Å; I248-M323 HydrophobicContact CD1-CB 4.36Å; I248-M323 HydrophobicContact CD1-CE 3.44Å; I248-M323 VanDerWaalsContact CD1-CE 3.44Å; I248-M323 HydrophobicContact CD1-CG 3.37Å; I248-M323 HydrophobicContact CD1-SD 3.71Å; I248-M323 HydrophobicContact CG1-CE 4.25Å; E319-M323 HydrophobicContact CG-CE 3.46Å; E319-M323 VanDerWaalsContact CG-CE 3.46Å; E319-M323 HydrophobicContact CG-CG 4.12Å; E319-M323 HydrophobicContact CG-SD 3.65Å; E319-M323 WeakPolarHBondContact O-CB 3.48Å; E319-M323 VanDerWaalsContact O-CG 3.25Å; E319-M323 WeakPolarHBondContact O-CG 3.3Å; E319-M323 PolarHBondContact O-N 3.13Å; E319-M323 VanDerWaalsContact OE1-CE 3.32Å; E319-M323 WeakPolarHBondContact OE1-CE 3.32Å; H320-M323 PolarHBondContact O-N 2.81Å; M323-A325 PolarHBondContact O-N 3.09Å
324	C	93.2	Very high	93.8	Very high	11 Å²	11	61.9 Å²	61.9	7%	0.074	31%	0.312	C	S	.	.			trans	-80.6	108.2	-168.4	-175.5	0	0	0	0	113	R254 H320 D326 W330	R254-C324 PolarHBondContact NH1-O 2.79Å; R254-C324 VanDerWaalsContact NH1-O 3.12Å; R254-C324 PolarHBondContact NH2-O 3.38Å; H320-C324 VanDerWaalsContact CE1-CB 3.46Å; H320-C324 WeakPolarHBondContact CE1-CB 3.37Å; H320-C324 VanDerWaalsContact CE1-SG 3.56Å; H320-C324 VanDerWaalsContact O-CB 3.26Å; H320-C324 WeakPolarHBondContact O-CB 3.21Å; H320-C324 PolarHBondContact O-N 2.88Å; H320-C324 VanDerWaalsContact O-N 3.12Å; C324-D326 PolarHBondContact SG-O 3.11Å; C324-D326 VanDerWaalsContact SG-O 3.4Å; C324-W330 HydrophobicContact CB-CE3 4.16Å; C324-W330 PolarHBondContact SG-N 2.87Å
325	A	90.2	Very high	93.8	Very high	81 Å²	81	65.3 Å²	65.3	67%	0.669	32%	0.321	S	S	*	.			trans	-91.6	-22.1	176.9	0	0	0	0	0	113.8	V252 M323	V252-A325 HydrophobicContact CG1-CB 4.43Å; M323-A325 PolarHBondContact O-N 3.09Å
326	D	92.3	Very high	93.7	Very high	73 Å²	73	72 Å²	72	39%	0.39	35%	0.347	S	S	.	.			trans	-87.7	131.5	-175.6	176.8	-93.5	0	0	0	112.4	C324 K328 Q329 W330	C324-D326 PolarHBondContact SG-O 3.11Å; C324-D326 VanDerWaalsContact SG-O 3.4Å; D326-K328 PolarHBondContact O-N 2.99Å; D326-K328 WeakPolarHBondContact OD1-CA 3.4Å; D326-K328 WeakPolarHBondContact OD1-CB 3.46Å; D326-K328 PolarHBondContact OD1-N 2.95Å; D326-Q329 HydrophobicContact CB-CB 4.09Å; D326-Q329 HydrophobicContact CB-CG 4.16Å; D326-Q329 PolarHBondContact O-N 3.15Å; D326-Q329 WeakPolarHBondContact OD1-CG 3.42Å; D326-Q329 PolarHBondContact OD1-N 2.85Å; D326-W330 VanDerWaalsContact O-CB 3.3Å; D326-W330 WeakPolarHBondContact O-CB 3.45Å; D326-W330 PolarHBondContact O-N 3.46Å
327	D	88.1	Confident	93.7	Very high	116 Å²	116	67.7 Å²	67.7	62%	0.62	33%	0.328	S	S	*	.	H	α-helix	trans	-67	-31.6	-175.6	-87.6	-7.6	0	0	0	113.4	K331	D327-K331 PolarHBondContact O-N 2.75Å
328	K	91.3	Very high	93.7	Very high	175 Å²	175	70.8 Å²	70.8	76%	0.761	34%	0.342	S	S	*	.	H	α-helix	trans	-75	-46.5	178.2	-66.3	178.8	179.6	174.7	0	110.1	D326 W330 K331 L332	D326-K328 PolarHBondContact O-N 2.99Å; D326-K328 WeakPolarHBondContact OD1-CA 3.4Å; D326-K328 WeakPolarHBondContact OD1-CB 3.46Å; D326-K328 PolarHBondContact OD1-N 2.95Å; K328-W330 VanDerWaalsContact C-N 3.25Å; K328-W330 PolarHBondContact O-N 3.5Å; K328-K331 PolarHBondContact O-N 3.12Å; K328-L332 PolarHBondContact O-N 2.9Å
329	Q	93.3	Very high	93.5	Very high	127 Å²	127	78.8 Å²	78.8	59%	0.593	38%	0.377	S	S	*	.	H	α-helix	trans	-62.7	-34.6	175	-67	-174.5	-4.6	0	0	111.5	H320 D326 K331 L332 G333	H320-Q329 PolarHBondContact CE1-O 2.79Å; D326-Q329 HydrophobicContact CB-CB 4.09Å; D326-Q329 HydrophobicContact CB-CG 4.16Å; D326-Q329 PolarHBondContact O-N 3.15Å; D326-Q329 WeakPolarHBondContact OD1-CG 3.42Å; D326-Q329 PolarHBondContact OD1-N 2.85Å; Q329-K331 PolarHBondContact O-N 3Å; Q329-L332 PolarHBondContact O-N 2.95Å; Q329-G333 PolarHBondContact O-N 3.06Å
330	W	93.7	Very high	93.3	Very high	22 Å²	22	75.9 Å²	75.9	8%	0.083	37%	0.365	C	S	.	.	H	α-helix	trans	-55.3	-51.3	174.3	176	-100.6	0	0	0	111.5	R254 H258 W261 H320 F321 C324 D326 K328 L332 G333 K334	R254-W330 VanDerWaalsContact CZ-CZ3 3.47Å; H258-W330 HydrophobicContact CB-CH2 4.41Å; H258-W330 HydrophobicContact CB-CZ2 4.11Å; W261-W330 HydrophobicContact CE3-CH2 4.15Å; W261-W330 HydrophobicContact CE3-CZ2 4.08Å; W261-W330 AromaticContact CZ3-CH2 3.91Å; W261-W330 HydrophobicContact CZ3-CH2 3.91Å; W261-W330 HydrophobicContact CZ3-CZ2 4.19Å; H320-W330 AromaticContact NE2-CE3 3.61Å; H320-W330 PolarHBondContact NE2-O 2.89Å; H320-W330 VanDerWaalsContact NE2-O 3.15Å; F321-W330 AromaticContact CD2-CH2 3.92Å; F321-W330 HydrophobicContact CD2-CH2 3.92Å; C324-W330 HydrophobicContact CB-CE3 4.16Å; C324-W330 PolarHBondContact SG-N 2.87Å; D326-W330 VanDerWaalsContact O-CB 3.3Å; D326-W330 WeakPolarHBondContact O-CB 3.45Å; D326-W330 PolarHBondContact O-N 3.46Å; K328-W330 VanDerWaalsContact C-N 3.25Å; K328-W330 PolarHBondContact O-N 3.5Å; W330-L332 VanDerWaalsContact C-N 3.33Å; W330-L332 PolarHBondContact O-N 2.76Å; W330-G333 PolarHBondContact O-N 3.47Å; W330-K334 WeakPolarHBondContact O-CB 3.43Å; W330-K334 PolarHBondContact O-N 3.5Å
331	K	93.6	Very high	92.9	Very high	96 Å²	96	80.3 Å²	80.3	42%	0.417	39%	0.385	S	S	.	.	H	α-helix	trans	-60.7	-41.3	178.9	-69.2	177.9	-179.9	-177.5	0	111.8	D113 D327 K328 Q329 R335	D113-K331 IonicContact OD2-NZ 2.59Å; D113-K331 PolarHBondContact OD2-NZ 2.86Å; D327-K331 PolarHBondContact O-N 2.75Å; K328-K331 PolarHBondContact O-N 3.12Å; Q329-K331 PolarHBondContact O-N 3Å; K331-R335 WeakPolarHBondContact O-CG 3.29Å; K331-R335 PolarHBondContact O-N 3.48Å
332	L	94.1	Very high	92.5	Very high	113 Å²	113	81.4 Å²	81.4	59%	0.592	39%	0.391	S	S	*	.	H	α-helix	trans	-67.2	-48	179.7	-175.5	63.7	0	0	0	112	K328 Q329 W330 K334 R335 R336	K328-L332 PolarHBondContact O-N 2.9Å; Q329-L332 PolarHBondContact O-N 2.95Å; W330-L332 VanDerWaalsContact C-N 3.33Å; W330-L332 PolarHBondContact O-N 2.76Å; L332-K334 VanDerWaalsContact C-N 3.34Å; L332-R335 PolarHBondContact O-N 3.25Å; L332-R336 PolarHBondContact O-N 3.42Å
333	G	94.7	Very high	92.1	Very high	11 Å²	11	82.6 Å²	82.6	11%	0.113	40%	0.398	C	S	.	.	H	α-helix	trans	-67.2	-35	177.6	0	0	0	0	0	112.7	Q329 W330 R336 A337	Q329-G333 PolarHBondContact O-N 3.06Å; W330-G333 PolarHBondContact O-N 3.47Å; G333-R336 WeakPolarHBondContact O-CB 3.36Å; G333-R336 PolarHBondContact O-N 2.94Å; G333-A337 PolarHBondContact O-N 3.24Å
334	K	94.3	Very high	91.8	Very high	68 Å²	68	79.4 Å²	79.4	30%	0.296	39%	0.386	S	S	.	.	H	α-helix	trans	-56.7	-51.6	170.5	172.7	171.9	-173.9	-68.6	0	111.5	W261 W330 L332 R336 A337 E338	W261-K334 HydrophobicContact CZ2-CB 4.05Å; W261-K334 HydrophobicContact CZ2-CG 3.86Å; W330-K334 WeakPolarHBondContact O-CB 3.43Å; W330-K334 PolarHBondContact O-N 3.5Å; L332-K334 VanDerWaalsContact C-N 3.34Å; K334-R336 VanDerWaalsContact C-N 3.3Å; K334-R336 PolarHBondContact O-N 3.47Å; K334-A337 PolarHBondContact O-N 3.08Å; K334-E338 WeakPolarHBondContact CE-OE1 3.31Å; K334-E338 WeakPolarHBondContact CG-OE1 3.49Å; K334-E338 IonicContact NZ-OE1 2.69Å; K334-E338 PolarHBondContact NZ-OE1 3.07Å; K334-E338 IonicContact NZ-OE2 2.71Å; K334-E338 WeakPolarHBondContact O-CB 3.35Å; K334-E338 VanDerWaalsContact O-CG 3.3Å; K334-E338 WeakPolarHBondContact O-CG 3.45Å; K334-E338 PolarHBondContact O-N 3.41Å
335	R	94.8	Very high	91.4	Very high	149 Å²	149	79.4 Å²	79.4	56%	0.562	39%	0.386	S	S	*	.	H	α-helix	trans	-63.6	-34.4	177.7	-73.7	176.1	-178.4	173.6	-0.4	112.5	K331 L332 E338 K339	K331-R335 WeakPolarHBondContact O-CG 3.29Å; K331-R335 PolarHBondContact O-N 3.48Å; L332-R335 PolarHBondContact O-N 3.25Å; R335-E338 PolarHBondContact O-N 2.95Å; R335-K339 WeakPolarHBondContact O-CG 3.45Å; R335-K339 PolarHBondContact O-N 3.31Å; R335-K339 VanDerWaalsContact O-N 3.17Å
336	R	93.5	Very high	91.4	Very high	145 Å²	145	77.6 Å²	77.6	55%	0.547	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-51.3	174.5	-174.8	-167.9	-61.5	174.6	-0.2	110.8	E316 L332 G333 K334 E338 K339 D340	E316-R336 WeakPolarHBondContact OE1-CD 3.34Å; E316-R336 IonicContact OE1-CZ 3.93Å; E316-R336 IonicContact OE1-NH1 2.92Å; E316-R336 PolarHBondContact OE1-NH1 3.5Å; L332-R336 PolarHBondContact O-N 3.42Å; G333-R336 WeakPolarHBondContact O-CB 3.36Å; G333-R336 PolarHBondContact O-N 2.94Å; K334-R336 VanDerWaalsContact C-N 3.3Å; K334-R336 PolarHBondContact O-N 3.47Å; R336-E338 VanDerWaalsContact C-N 3.25Å; R336-E338 PolarHBondContact O-N 2.9Å; R336-K339 CarbonylContact O-C 3.59Å; R336-K339 PolarHBondContact O-N 2.92Å; R336-K339 VanDerWaalsContact O-N 3.09Å; R336-D340 PolarHBondContact O-N 3.38Å
337	A	94.1	Very high	91.3	Very high	13 Å²	13	74.1 Å²	74.1	11%	0.107	35%	0.345	C	S	.	.	H	α-helix	trans	-65.1	-28.2	178.3	0	0	0	0	0	112.9	W261 G333 K334 K339 D340	W261-A337 HydrophobicContact CH2-CB 4.28Å; W261-A337 HydrophobicContact CZ2-CB 3.98Å; G333-A337 PolarHBondContact O-N 3.24Å; K334-A337 PolarHBondContact O-N 3.08Å; A337-K339 VanDerWaalsContact C-N 3.33Å; A337-D340 WeakPolarHBondContact O-CB 3.45Å
338	E	93.9	Very high	91.6	Very high	69 Å²	69	68.7 Å²	68.7	32%	0.322	32%	0.316	S	S	.	.	H	α-helix	trans	-72.6	-24.9	173.6	-75.3	166	176.2	0	0	113.6	W261 K334 R335 R336	W261-E338 PolarHBondContact NE1-OE1 3.39Å; K334-E338 WeakPolarHBondContact CE-OE1 3.31Å; K334-E338 WeakPolarHBondContact CG-OE1 3.49Å; K334-E338 IonicContact NZ-OE1 2.69Å; K334-E338 PolarHBondContact NZ-OE1 3.07Å; K334-E338 IonicContact NZ-OE2 2.71Å; K334-E338 WeakPolarHBondContact O-CB 3.35Å; K334-E338 VanDerWaalsContact O-CG 3.3Å; K334-E338 WeakPolarHBondContact O-CG 3.45Å; K334-E338 PolarHBondContact O-N 3.41Å; R335-E338 PolarHBondContact O-N 2.95Å; R336-E338 VanDerWaalsContact C-N 3.25Å; R336-E338 PolarHBondContact O-N 2.9Å
339	K	93.3	Very high	91.6	Very high	168 Å²	168	62 Å²	62	73%	0.73	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	9	177.1	-69.5	-180	178.1	-170.6	0	113.3	R335 R336 A337 E341	R335-K339 WeakPolarHBondContact O-CG 3.45Å; R335-K339 PolarHBondContact O-N 3.31Å; R335-K339 VanDerWaalsContact O-N 3.17Å; R336-K339 CarbonylContact O-C 3.59Å; R336-K339 PolarHBondContact O-N 2.92Å; R336-K339 VanDerWaalsContact O-N 3.09Å; A337-K339 VanDerWaalsContact C-N 3.33Å; K339-E341 PolarHBondContact O-N 2.63Å
340	D	89.5	Confident	91.6	Very high	39 Å²	39	56 Å²	56	21%	0.209	26%	0.261	C	S	.	.			trans	-60.6	120.6	177.2	-174.7	2.4	0	0	0	110.2	K269 R336 A337 M342 V343	K269-D340 IonicContact NZ-OD1 2.71Å; K269-D340 IonicContact NZ-OD2 3Å; K269-D340 PolarHBondContact NZ-OD2 3.33Å; R336-D340 PolarHBondContact O-N 3.38Å; A337-D340 WeakPolarHBondContact O-CB 3.45Å; D340-M342 WeakPolarHBondContact OD1-CB 3.46Å; D340-M342 PolarHBondContact OD1-N 3.48Å; D340-V343 HydrophobicContact CB-CG1 4.23Å; D340-V343 WeakPolarHBondContact O-CG1 3.23Å
341	E	88.3	Confident	91.7	Very high	129 Å²	129	55.7 Å²	55.7	60%	0.603	26%	0.261	S	S	*	.	S	Bend	trans	-84.7	-18.8	179.3	-63.1	-177.6	175.2	0	0	111.9	K339 V343 H346	K339-E341 PolarHBondContact O-N 2.63Å; E341-V343 PolarHBondContact O-N 3.3Å; E341-H346 WeakPolarHBondContact O-CB 3.38Å
342	M	87.4	Confident	91.8	Very high	23 Å²	23	55.9 Å²	55.9	11%	0.113	26%	0.263	C	S	.	.	S	Bend	trans	-82.5	49.3	-178	-61.3	-55.4	-64.3	0	0	112	M194 I197 E199 D340 H346 L349 T350	M194-M342 HydrophobicContact CG-SD 4.33Å; I197-M342 HydrophobicContact CG1-CE 4.38Å; I197-M342 HydrophobicContact CG2-CE 4.32Å; E199-M342 VanDerWaalsContact OE1-CB 3.22Å; E199-M342 WeakPolarHBondContact OE1-CB 3.41Å; D340-M342 WeakPolarHBondContact OD1-CB 3.46Å; D340-M342 PolarHBondContact OD1-N 3.48Å; M342-H346 HydrophobicContact CE-CB 4.31Å; M342-H346 VanDerWaalsContact CE-O 3.23Å; M342-H346 WeakPolarHBondContact CE-O 3.48Å; M342-H346 HydrophobicContact SD-CB 4.22Å; M342-L349 HydrophobicContact CE-CB 4.4Å; M342-T350 HydrophobicContact CE-CG2 3.37Å
343	V	88.3	Confident	91.9	Very high	28 Å²	28	52.4 Å²	52.4	17%	0.17	25%	0.245	C	C	.	.			trans	-116.2	156.1	-175.9	-62.4	0	0	0	0	111	K269 D340 E341 A345 H346	K269-V343 HydrophobicContact CB-CG1 4.13Å; K269-V343 HydrophobicContact CG-CG1 4.28Å; D340-V343 HydrophobicContact CB-CG1 4.23Å; D340-V343 WeakPolarHBondContact O-CG1 3.23Å; E341-V343 PolarHBondContact O-N 3.3Å; V343-A345 PolarHBondContact O-N 2.91Å; V343-A345 VanDerWaalsContact O-N 3.11Å; V343-H346 PolarHBondContact O-N 3.44Å; V343-H346 VanDerWaalsContact O-N 3.16Å
344	G	85.1	Confident	91.9	Very high	12 Å²	12	52.8 Å²	52.8	12%	0.124	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	-113.7	175.9	0	0	0	0	0	113	S181 H268 K269 F347	S181-G344 CarbonylContact O-C 3.59Å; S181-G344 WeakPolarHBondContact O-CA 3.41Å; H268-G344 PolarHBondContact O-N 2.86Å; K269-G344 PolarHBondContact O-N 3.44Å; G344-F347 WeakPolarHBondContact O-CB 3.17Å
345	A	85.1	Confident	91.7	Very high	11 Å²	11	57.4 Å²	57.4	9%	0.091	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-37.4	178.6	0	0	0	0	0	113.3	S181 G182 F186 V191 V343 F347 M348	S181-A345 PolarHBondContact O-N 3.45Å; G182-A345 WeakPolarHBondContact O-CB 3.4Å; F186-A345 HydrophobicContact CB-CB 4.24Å; V191-A345 HydrophobicContact CG2-CB 3.6Å; V343-A345 PolarHBondContact O-N 2.91Å; V343-A345 VanDerWaalsContact O-N 3.11Å; A345-F347 PolarHBondContact O-N 2.91Å; A345-M348 WeakPolarHBondContact O-CB 3.47Å; A345-M348 PolarHBondContact O-N 3.08Å; A345-M348 VanDerWaalsContact O-N 3.12Å
346	H	90	Very high	91.4	Very high	42 Å²	42	55.3 Å²	55.3	19%	0.194	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-68.8	-27	-177.7	-67.2	91.2	0	0	0	111.6	V191 E341 M342 V343 M348 L349	V191-H346 VanDerWaalsContact CG1-CD2 3.47Å; V191-H346 WeakPolarHBondContact CG1-CD2 3.41Å; E341-H346 WeakPolarHBondContact O-CB 3.38Å; M342-H346 HydrophobicContact CE-CB 4.31Å; M342-H346 VanDerWaalsContact CE-O 3.23Å; M342-H346 WeakPolarHBondContact CE-O 3.48Å; M342-H346 HydrophobicContact SD-CB 4.22Å; V343-H346 PolarHBondContact O-N 3.44Å; V343-H346 VanDerWaalsContact O-N 3.16Å; H346-M348 PolarHBondContact O-N 3.45Å; H346-L349 VanDerWaalsContact O-CB 3.3Å; H346-L349 WeakPolarHBondContact O-CB 3.36Å; H346-L349 PolarHBondContact O-N 3.34Å
347	F	92	Very high	91.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-55.3	-35.3	171.6	169.9	-109.6	0	0	0	111.9	Y201 K269 F270 V272 I273 V311 G344 A345 L349 T350 L351	Y201-F347 AromaticContact CD2-CE2 3.72Å; Y201-F347 HydrophobicContact CD2-CE2 3.72Å; Y201-F347 HydrophobicContact CD2-CZ 4.46Å; Y201-F347 HydrophobicContact CE2-CD2 4.4Å; Y201-F347 AromaticContact CE2-CE2 3.76Å; Y201-F347 HydrophobicContact CE2-CE2 3.76Å; K269-F347 WeakPolarHBondContact O-CB 3.41Å; F270-F347 HydrophobicContact CD1-CD1 4.45Å; F270-F347 AromaticContact CD1-CD2 3.8Å; F270-F347 HydrophobicContact CD1-CD2 3.8Å; F270-F347 HydrophobicContact CD1-CE1 4.09Å; F270-F347 AromaticContact CD1-CE2 3.4Å; F270-F347 HydrophobicContact CD1-CE2 3.4Å; F270-F347 VanDerWaalsContact CD1-CE2 3.4Å; F270-F347 HydrophobicContact CD1-CG 4.32Å; F270-F347 AromaticContact CD1-CZ 3.56Å; F270-F347 HydrophobicContact CD1-CZ 3.56Å; F270-F347 AromaticContact CE1-CD2 3.92Å; F270-F347 HydrophobicContact CE1-CD2 3.92Å; F270-F347 AromaticContact CE1-CE2 3.45Å; F270-F347 HydrophobicContact CE1-CE2 3.45Å; F270-F347 VanDerWaalsContact CE1-CE2 3.45Å; F270-F347 HydrophobicContact CE1-CZ 4Å; V272-F347 HydrophobicContact CG2-CE1 3.87Å; I273-F347 HydrophobicContact CD1-CZ 4.06Å; V311-F347 HydrophobicContact CG1-CZ 4.43Å; G344-F347 WeakPolarHBondContact O-CB 3.17Å; A345-F347 PolarHBondContact O-N 2.91Å; F347-L349 PolarHBondContact O-N 3.1Å; F347-L349 VanDerWaalsContact O-N 3.16Å; F347-T350 WeakPolarHBondContact CD2-OG1 3.3Å; F347-T350 WeakPolarHBondContact O-CB 3.35Å; F347-T350 PolarHBondContact O-N 3.25Å; F347-T350 PolarHBondContact O-OG1 3.34Å; F347-L351 HydrophobicContact CE1-CD1 4.41Å; F347-L351 HydrophobicContact CE1-CD2 4.2Å; F347-L351 HydrophobicContact CE2-CD2 4.26Å; F347-L351 HydrophobicContact CZ-CD2 3.76Å
348	M	92.6	Very high	90.8	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62.1	-26.3	178.1	-59.8	-60.6	157.5	0	0	113.3	V183 F186 T271 V272 A345 H346 T350 L351	V183-M348 HydrophobicContact CG2-CE 3.95Å; F186-M348 HydrophobicContact CD1-CB 3.72Å; F186-M348 HydrophobicContact CD1-CG 3.77Å; F186-M348 HydrophobicContact CD2-CB 3.67Å; F186-M348 HydrophobicContact CD2-CG 4.4Å; F186-M348 HydrophobicContact CE1-CB 3.61Å; F186-M348 HydrophobicContact CE1-CG 4Å; F186-M348 HydrophobicContact CE2-CB 3.59Å; F186-M348 HydrophobicContact CG-CB 3.74Å; F186-M348 HydrophobicContact CG-CG 3.97Å; F186-M348 HydrophobicContact CZ-CB 3.55Å; F186-M348 HydrophobicContact CZ-CG 4.44Å; T271-M348 WeakPolarHBondContact OG1-CE 3.48Å; V272-M348 HydrophobicContact CB-CE 4.23Å; V272-M348 HydrophobicContact CG1-CE 3.43Å; V272-M348 VanDerWaalsContact CG1-CE 3.43Å; V272-M348 HydrophobicContact CG1-SD 4.45Å; V272-M348 HydrophobicContact CG2-CE 3.82Å; V272-M348 HydrophobicContact CG2-SD 4.41Å; A345-M348 WeakPolarHBondContact O-CB 3.47Å; A345-M348 PolarHBondContact O-N 3.08Å; A345-M348 VanDerWaalsContact O-N 3.12Å; H346-M348 PolarHBondContact O-N 3.45Å; M348-T350 PolarHBondContact O-N 2.86Å; M348-L351 WeakPolarHBondContact O-CB 3.41Å; M348-L351 PolarHBondContact O-N 3.1Å; M348-L351 HydrophobicContact SD-CD1 3.83Å
349	L	92.7	Very high	90.6	Very high	34 Å²	34	57 Å²	57	18%	0.178	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-71.6	-18.8	176.9	-56.2	177.9	0	0	0	112.8	F186 V191 M193 I197 M342 H346 F347 L351	F186-L349 HydrophobicContact CD2-CD2 4.14Å; F186-L349 HydrophobicContact CE2-CD2 3.77Å; V191-L349 HydrophobicContact CG1-CD1 3.88Å; V191-L349 HydrophobicContact CG1-CG 4.47Å; M193-L349 HydrophobicContact CE-CD2 4.12Å; I197-L349 HydrophobicContact CD1-CB 3.95Å; M342-L349 HydrophobicContact CE-CB 4.4Å; H346-L349 VanDerWaalsContact O-CB 3.3Å; H346-L349 WeakPolarHBondContact O-CB 3.36Å; H346-L349 PolarHBondContact O-N 3.34Å; F347-L349 PolarHBondContact O-N 3.1Å; F347-L349 VanDerWaalsContact O-N 3.16Å; L349-L351 VanDerWaalsContact C-N 3.27Å
350	T	93.8	Very high	90.4	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-80.3	-12.3	177.2	73.2	0	0	0	0	112.3	I197 E199 S200 Y201 M342 F347 M348	I197-T350 HydrophobicContact CG2-CG2 4.23Å; E199-T350 HydrophobicContact CG-CG2 3.64Å; S200-T350 CarbonylContact C-O 3.56Å; S200-T350 VanDerWaalsContact CA-O 3.26Å; S200-T350 WeakPolarHBondContact CA-O 3.36Å; Y201-T350 WeakPolarHBondContact CD2-OG1 3.48Å; Y201-T350 PolarHBondContact N-O 3.36Å; M342-T350 HydrophobicContact CE-CG2 3.37Å; F347-T350 WeakPolarHBondContact CD2-OG1 3.3Å; F347-T350 WeakPolarHBondContact O-CB 3.35Å; F347-T350 PolarHBondContact O-N 3.25Å; F347-T350 PolarHBondContact O-OG1 3.34Å; M348-T350 PolarHBondContact O-N 2.86Å
351	L	95.3	Very high	90.5	Very high	16 Å²	16	55.7 Å²	55.7	8%	0.084	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126	-174.2	-58.2	-176.9	0	0	0	111.3	Y201 W212 F347 M348 L349 T511 A515	Y201-L351 WeakPolarHBondContact O-CA 3.49Å; W212-L351 HydrophobicContact CH2-CD2 4.05Å; W212-L351 HydrophobicContact CZ3-CD2 3.94Å; F347-L351 HydrophobicContact CE1-CD1 4.41Å; F347-L351 HydrophobicContact CE1-CD2 4.2Å; F347-L351 HydrophobicContact CE2-CD2 4.26Å; F347-L351 HydrophobicContact CZ-CD2 3.76Å; M348-L351 WeakPolarHBondContact O-CB 3.41Å; M348-L351 PolarHBondContact O-N 3.1Å; M348-L351 HydrophobicContact SD-CD1 3.83Å; L349-L351 VanDerWaalsContact C-N 3.27Å; L351-T511 HydrophobicContact CB-CG2 3.93Å; L351-T511 HydrophobicContact CD1-CG2 4.1Å; L351-A515 HydrophobicContact CD1-CB 3.74Å
352	Q	95.8	Very high	90.7	Very high	99 Å²	99	54.6 Å²	54.6	46%	0.463	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.5	171	-65	176.6	-2.9	0	0	108.8	Y201 T202 I203	Y201-Q352 PolarHBondContact O-N 3.49Å; T202-Q352 HydrophobicContact CG2-CB 4.36Å; T202-Q352 PolarHBondContact OG1-OE1 2.94Å; I203-Q352 PolarHBondContact N-O 3.4Å
353	I	95.8	Very high	91.1	Very high	41 Å²	41	53.9 Å²	53.9	21%	0.21	28%	0.275	C	S	.	.			trans	-99.8	155.1	-179	63.2	171.1	0	0	0	112.3	I203 R510 T511 F514	I203-I353 HydrophobicContact CD1-CG2 4.28Å; I353-R510 HydrophobicContact CD1-CB 4.31Å; I353-T511 HydrophobicContact CG2-CG2 4.13Å; I353-F514 HydrophobicContact CB-CB 4.34Å; I353-F514 HydrophobicContact CB-CD2 3.92Å; I353-F514 HydrophobicContact CB-CG 4.21Å; I353-F514 HydrophobicContact CD1-CD2 3.92Å; I353-F514 HydrophobicContact CD1-CE2 4.25Å; I353-F514 HydrophobicContact CG1-CD2 4.48Å; I353-F514 HydrophobicContact CG2-CB 3.79Å; I353-F514 HydrophobicContact CG2-CD2 4.12Å; I353-F514 HydrophobicContact CG2-CG 4.19Å
354	P	94.6	Very high	91.3	Very high	19 Å²	19	54.9 Å²	54.9	12%	0.123	28%	0.278	C	S	.	.			trans	-60.2	153.6	171.1	-21.5	33.3	0	0	0	112.6	I203 M205 E356 F514	I203-P354 HydrophobicContact CG2-CG 4.45Å; I203-P354 WeakPolarHBondContact O-CD 3.47Å; I203-P354 WeakPolarHBondContact O-CG 3.42Å; M205-P354 HydrophobicContact CG-CB 3.85Å; M205-P354 HydrophobicContact CG-CG 3.72Å; M205-P354 HydrophobicContact SD-CG 4.14Å; P354-E356 PolarHBondContact O-N 3.13Å; P354-F514 HydrophobicContact CB-CE1 4.41Å; P354-F514 HydrophobicContact CG-CD1 4.29Å; P354-F514 HydrophobicContact CG-CE1 4.05Å
355	N	90.2	Very high	91.9	Very high	164 Å²	164	59.6 Å²	59.6	88%	0.877	30%	0.297	S	S	*	.	S	Bend	trans	-75.6	-15.5	174.7	-70.6	-28.8	0	0	0	113	H357	N355-H357 PolarHBondContact O-N 3.17Å
356	E	89	Confident	92.4	Very high	105 Å²	105	62.6 Å²	62.6	49%	0.491	31%	0.306	S	S	.	.			trans	-57.7	135	-178.3	-69.8	174.4	-153.9	0	0	112.2	M205 P354 R510	M205-E356 VanDerWaalsContact CE-OE2 3.3Å; M205-E356 WeakPolarHBondContact CE-OE2 3.16Å; M205-E356 WeakPolarHBondContact CG-OE2 3.37Å; P354-E356 PolarHBondContact O-N 3.13Å; E356-R510 PolarHBondContact O-NH2 2.88Å
357	H	85.6	Confident	92.7	Very high	146 Å²	146	60.7 Å²	60.7	68%	0.676	30%	0.297	S	S	*	.			trans	-84.6	129	177.2	-168.8	78.4	0	0	0	109.4	N355	N355-H357 PolarHBondContact O-N 3.17Å
358	Q	88.4	Confident	92.9	Very high	40 Å²	40	63.4 Å²	63.4	19%	0.187	31%	0.311	C	S	.	.			trans	-112.1	136.8	170.6	-64	-171.2	-68.9	0	0	108.3	L360 V363 F514	Q358-L360 PolarHBondContact O-N 2.86Å; Q358-V363 HydrophobicContact CB-CG2 3.8Å; Q358-F514 HydrophobicContact CG-CE1 4.28Å; Q358-F514 HydrophobicContact CG-CZ 3.99Å
359	D	90.3	Very high	93.2	Very high	78 Å²	78	67.9 Å²	67.9	42%	0.417	34%	0.335	S	S	.	.			trans	-64.6	131.7	170.2	-174.4	-81	0	0	0	109.6	Q361 D362 V363	D359-Q361 VanDerWaalsContact C-N 3.31Å; D359-Q361 PolarHBondContact O-N 2.82Å; D359-Q361 WeakPolarHBondContact OD1-CA 3.32Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.36Å; D359-Q361 PolarHBondContact OD1-N 3.37Å; D359-D362 HydrophobicContact CB-CB 4.21Å; D359-D362 PolarHBondContact O-N 2.8Å; D359-D362 PolarHBondContact OD1-N 3.29Å; D359-V363 WeakPolarHBondContact O-CG2 3.45Å; D359-V363 PolarHBondContact O-N 3.26Å; D359-V363 VanDerWaalsContact O-N 3.17Å
360	L	88.3	Confident	93.4	Very high	37 Å²	37	66.5 Å²	66.5	19%	0.194	33%	0.328	C	S	.	.	H	α-helix	trans	-70.7	-29	-174.6	-65.3	176.7	0	0	0	112.4	Q358 V363 E364 F482 V485 R506	Q358-L360 PolarHBondContact O-N 2.86Å; L360-V363 PolarHBondContact O-N 3.44Å; L360-E364 WeakPolarHBondContact O-CB 3.32Å; L360-E364 PolarHBondContact O-N 3.46Å; L360-F482 HydrophobicContact CB-CE1 4.32Å; L360-F482 HydrophobicContact CD2-CE1 4.07Å; L360-V485 HydrophobicContact CD1-CG1 3.81Å; L360-R506 HydrophobicContact CD1-CG 4.39Å
361	Q	91.6	Very high	93.6	Very high	142 Å²	142	71.6 Å²	71.6	66%	0.664	35%	0.35	S	S	*	.	H	α-helix	trans	-69.1	-43.6	176.6	-172.9	177.8	-8.5	0	0	110.1	D359 V363 E364 E365	D359-Q361 VanDerWaalsContact C-N 3.31Å; D359-Q361 PolarHBondContact O-N 2.82Å; D359-Q361 WeakPolarHBondContact OD1-CA 3.32Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.36Å; D359-Q361 PolarHBondContact OD1-N 3.37Å; Q361-V363 VanDerWaalsContact C-N 3.3Å; Q361-V363 PolarHBondContact O-N 3.24Å; Q361-E364 PolarHBondContact O-N 2.95Å; Q361-E365 PolarHBondContact O-N 3.31Å
362	D	93.8	Very high	93.8	Very high	105 Å²	105	75.6 Å²	75.6	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-59.9	-41.2	175	-69.6	-12.6	0	0	0	111.5	D359 R366	D359-D362 HydrophobicContact CB-CB 4.21Å; D359-D362 PolarHBondContact O-N 2.8Å; D359-D362 PolarHBondContact OD1-N 3.29Å; D362-R366 WeakPolarHBondContact O-CB 3.34Å; D362-R366 PolarHBondContact O-N 3.21Å
363	V	94.3	Very high	93.9	Very high	8 Å²	8	73.6 Å²	73.6	5%	0.048	37%	0.365	C	S	.	.	H	α-helix	trans	-68.1	-41.3	176.7	-177.9	0	0	0	0	111	Q358 D359 L360 Q361 R366 V367 F482	Q358-V363 HydrophobicContact CB-CG2 3.8Å; D359-V363 WeakPolarHBondContact O-CG2 3.45Å; D359-V363 PolarHBondContact O-N 3.26Å; D359-V363 VanDerWaalsContact O-N 3.17Å; L360-V363 PolarHBondContact O-N 3.44Å; Q361-V363 VanDerWaalsContact C-N 3.3Å; Q361-V363 PolarHBondContact O-N 3.24Å; V363-R366 PolarHBondContact O-N 3.01Å; V363-V367 HydrophobicContact CG1-CG2 4.47Å; V363-V367 VanDerWaalsContact O-CG2 3.28Å; V363-V367 WeakPolarHBondContact O-CG2 3.49Å; V363-V367 PolarHBondContact O-N 3.48Å; V363-F482 HydrophobicContact CB-CZ 4.06Å; V363-F482 HydrophobicContact CG1-CZ 3.8Å
364	E	93.8	Very high	94	Very high	49 Å²	49	72 Å²	72	23%	0.229	36%	0.358	C	S	.	.	H	α-helix	trans	-61.4	-45.4	176.6	-170.9	169.8	-154.1	0	0	111.3	L360 Q361 R366 V367 D368 F482 K486	L360-E364 WeakPolarHBondContact O-CB 3.32Å; L360-E364 PolarHBondContact O-N 3.46Å; Q361-E364 PolarHBondContact O-N 2.95Å; E364-R366 PolarHBondContact O-N 3.39Å; E364-V367 PolarHBondContact O-N 3.49Å; E364-D368 PolarHBondContact O-N 3.36Å; E364-F482 HydrophobicContact CB-CD2 4.24Å; E364-F482 HydrophobicContact CB-CE2 3.8Å; E364-F482 HydrophobicContact CB-CZ 4.04Å; E364-F482 HydrophobicContact CG-CD2 4.11Å; E364-F482 HydrophobicContact CG-CE2 4.09Å; E364-K486 IonicContact OE1-NZ 2.81Å; E364-K486 PolarHBondContact OE1-NZ 3.38Å; E364-K486 IonicContact OE2-NZ 3.23Å; E364-K486 PolarHBondContact OE2-NZ 3.18Å
365	E	96.1	Very high	94.2	Very high	112 Å²	112	76.5 Å²	76.5	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-44.2	175.1	-173.8	-178.2	168.4	0	0	111.6	Q361 V367 D368 N369	Q361-E365 PolarHBondContact O-N 3.31Å; E365-V367 VanDerWaalsContact C-N 3.31Å; E365-V367 PolarHBondContact O-N 2.92Å; E365-D368 PolarHBondContact O-N 3.27Å; E365-N369 WeakPolarHBondContact O-CB 3.32Å; E365-N369 VanDerWaalsContact O-CG 3.3Å; E365-N369 PolarHBondContact O-N 3Å; E365-N369 PolarHBondContact O-ND2 3.33Å
366	R	95.6	Very high	94.6	Very high	74 Å²	74	75.2 Å²	75.2	28%	0.279	36%	0.362	S	S	.	.	H	α-helix	trans	-60.3	-41.1	176.6	-171.7	178.3	-174.3	-171.9	8.2	112.1	L208 D362 V363 E364 F370 M520	L208-R366 PolarHBondContact O-NH2 3.02Å; D362-R366 WeakPolarHBondContact O-CB 3.34Å; D362-R366 PolarHBondContact O-N 3.21Å; V363-R366 PolarHBondContact O-N 3.01Å; E364-R366 PolarHBondContact O-N 3.39Å; R366-F370 WeakPolarHBondContact O-CB 3.49Å; R366-F370 PolarHBondContact O-N 3.48Å; R366-M520 HydrophobicContact CG-CE 4.12Å
367	V	96.3	Very high	95	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.012	34%	0.344	C	S	.	.	H	α-helix	trans	-66.6	-38.7	177.2	170.1	0	0	0	0	111.1	V363 E364 E365 F370 K371 I475 Q478 L516	V363-V367 HydrophobicContact CG1-CG2 4.47Å; V363-V367 VanDerWaalsContact O-CG2 3.28Å; V363-V367 WeakPolarHBondContact O-CG2 3.49Å; V363-V367 PolarHBondContact O-N 3.48Å; E364-V367 PolarHBondContact O-N 3.49Å; E365-V367 VanDerWaalsContact C-N 3.31Å; E365-V367 PolarHBondContact O-N 2.92Å; V367-F370 PolarHBondContact O-N 3.09Å; V367-K371 WeakPolarHBondContact O-CB 3.46Å; V367-K371 PolarHBondContact O-N 3.4Å; V367-I475 HydrophobicContact CG1-CG2 3.83Å; V367-Q478 HydrophobicContact CG2-CG 4.24Å; V367-L516 HydrophobicContact CG1-CD2 4.21Å; V367-L516 HydrophobicContact CG2-CD2 3.88Å
368	D	97.1	Very high	95.6	Very high	56 Å²	56	65.8 Å²	65.8	30%	0.299	32%	0.32	S	S	.	.	H	α-helix	trans	-69.4	-39.6	176.5	-82	-21.4	0	0	0	113.2	E364 E365 F370 K371 T372 K479	E364-D368 PolarHBondContact O-N 3.36Å; E365-D368 PolarHBondContact O-N 3.27Å; D368-F370 VanDerWaalsContact C-N 3.32Å; D368-F370 PolarHBondContact O-N 2.91Å; D368-K371 WeakPolarHBondContact O-CB 3.26Å; D368-K371 PolarHBondContact O-N 3.09Å; D368-T372 PolarHBondContact O-N 2.99Å; D368-T372 PolarHBondContact O-OG1 3.28Å; D368-K479 WeakPolarHBondContact OD1-CE 3.3Å; D368-K479 IonicContact OD1-NZ 2.63Å; D368-K479 PolarHBondContact OD1-NZ 3.44Å; D368-K479 IonicContact OD2-NZ 3Å
369	N	97.9	Very high	96.1	Very high	96 Å²	96	67.1 Å²	67.1	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-60	-44.9	171.8	-74	-25.6	0	0	0	110.7	E365 T372 F373	E365-N369 WeakPolarHBondContact O-CB 3.32Å; E365-N369 VanDerWaalsContact O-CG 3.3Å; E365-N369 PolarHBondContact O-N 3Å; E365-N369 PolarHBondContact O-ND2 3.33Å; N369-T372 PolarHBondContact O-N 3.19Å; N369-F373 WeakPolarHBondContact O-CB 3.31Å; N369-F373 PolarHBondContact O-N 2.83Å
370	F	98.2	Very high	96.5	Very high	6 Å²	6	65.7 Å²	65.7	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-39.4	176.5	-177.3	-95.8	0	0	0	112.8	R366 V367 D368 T372 F373 A374 F471 I475 M520 F523 H524	R366-F370 WeakPolarHBondContact O-CB 3.49Å; R366-F370 PolarHBondContact O-N 3.48Å; V367-F370 PolarHBondContact O-N 3.09Å; D368-F370 VanDerWaalsContact C-N 3.32Å; D368-F370 PolarHBondContact O-N 2.91Å; F370-T372 VanDerWaalsContact C-N 3.3Å; F370-T372 PolarHBondContact O-N 3.34Å; F370-F373 AromaticContact CD2-CD1 3.82Å; F370-F373 HydrophobicContact CD2-CD1 3.82Å; F370-F373 HydrophobicContact CD2-CE1 4.37Å; F370-F373 AromaticContact CE2-CD1 3.84Å; F370-F373 HydrophobicContact CE2-CD1 3.84Å; F370-F373 AromaticContact CE2-CE1 3.95Å; F370-F373 HydrophobicContact CE2-CE1 3.95Å; F370-F373 PolarHBondContact O-N 3.15Å; F370-A374 HydrophobicContact CD1-CB 4.48Å; F370-A374 HydrophobicContact CE1-CB 4.12Å; F370-A374 HydrophobicContact CZ-CB 4.41Å; F370-A374 VanDerWaalsContact O-CB 3.3Å; F370-A374 WeakPolarHBondContact O-CB 3.4Å; F370-A374 PolarHBondContact O-N 3.46Å; F370-F471 HydrophobicContact CE1-CB 4.27Å; F370-F471 AromaticContact CE1-CD1 3.45Å; F370-F471 HydrophobicContact CE1-CD1 3.45Å; F370-F471 VanDerWaalsContact CE1-CD1 3.45Å; F370-F471 HydrophobicContact CE1-CD2 4.21Å; F370-F471 AromaticContact CE1-CE1 3.72Å; F370-F471 HydrophobicContact CE1-CE1 3.72Å; F370-F471 HydrophobicContact CE1-CE2 4.45Å; F370-F471 AromaticContact CE1-CG 3.72Å; F370-F471 HydrophobicContact CE1-CG 3.72Å; F370-F471 HydrophobicContact CE1-CZ 4.23Å; F370-F471 AromaticContact CZ-CD1 3.89Å; F370-F471 HydrophobicContact CZ-CD1 3.89Å; F370-F471 HydrophobicContact CZ-CD2 4.15Å; F370-F471 AromaticContact CZ-CE1 3.72Å; F370-F471 HydrophobicContact CZ-CE1 3.72Å; F370-F471 HydrophobicContact CZ-CE2 4.01Å; F370-F471 HydrophobicContact CZ-CG 4.1Å; F370-F471 AromaticContact CZ-CZ 3.79Å; F370-F471 HydrophobicContact CZ-CZ 3.79Å; F370-I475 HydrophobicContact CD1-CD1 3.98Å; F370-I475 HydrophobicContact CE1-CD1 4.3Å; F370-M520 HydrophobicContact CB-CE 3.31Å; F370-M520 HydrophobicContact CB-SD 4Å; F370-M520 HydrophobicContact CD1-CE 4.26Å; F370-M520 HydrophobicContact CD1-CG 3.79Å; F370-M520 HydrophobicContact CD1-SD 3.95Å; F370-M520 HydrophobicContact CD2-CB 4.18Å; F370-M520 HydrophobicContact CD2-CE 3.73Å; F370-M520 HydrophobicContact CD2-CG 3.83Å; F370-M520 HydrophobicContact CD2-SD 4.31Å; F370-M520 HydrophobicContact CE1-CG 3.84Å; F370-M520 HydrophobicContact CE2-CB 4.09Å; F370-M520 HydrophobicContact CE2-CG 3.85Å; F370-M520 HydrophobicContact CG-CE 3.49Å; F370-M520 VanDerWaalsContact CG-CE 3.49Å; F370-M520 HydrophobicContact CG-CG 3.8Å; F370-M520 HydrophobicContact CG-SD 3.81Å; F370-M520 HydrophobicContact CZ-CB 4.46Å; F370-M520 HydrophobicContact CZ-CG 3.86Å; F370-F523 HydrophobicContact CE2-CD1 4.22Å; F370-F523 HydrophobicContact CZ-CD1 4.32Å; F370-H524 AromaticContact CD2-NE2 3.52Å; F370-H524 AromaticContact CE2-CE1 3.91Å; F370-H524 AromaticContact CE2-NE2 3.56Å
371	K	98.1	Very high	97	Very high	108 Å²	108	64.2 Å²	64.2	47%	0.47	32%	0.317	S	S	.	.	H	α-helix	trans	-55.7	-47.4	174	-176.9	-174.7	173.4	-175.3	0	111.1	V367 D368 A374 K375 I475	V367-K371 WeakPolarHBondContact O-CB 3.46Å; V367-K371 PolarHBondContact O-N 3.4Å; D368-K371 WeakPolarHBondContact O-CB 3.26Å; D368-K371 PolarHBondContact O-N 3.09Å; K371-A374 PolarHBondContact O-N 2.98Å; K371-K375 PolarHBondContact O-N 2.93Å; K371-I475 HydrophobicContact CB-CD1 3.96Å; K371-I475 HydrophobicContact CB-CG2 4.47Å; K371-I475 HydrophobicContact CD-CG2 4.45Å; K371-I475 HydrophobicContact CG-CD1 4.26Å
372	T	98.5	Very high	97.3	Very high	100 Å²	100	62.4 Å²	62.4	61%	0.613	31%	0.31	S	S	*	.	H	α-helix	trans	-64	-45.3	179.1	-56	0	0	0	0	111.1	D368 N369 F370 K376	D368-T372 PolarHBondContact O-N 2.99Å; D368-T372 PolarHBondContact O-OG1 3.28Å; N369-T372 PolarHBondContact O-N 3.19Å; F370-T372 VanDerWaalsContact C-N 3.3Å; F370-T372 PolarHBondContact O-N 3.34Å; T372-K376 PolarHBondContact O-N 3.05Å
373	F	98.6	Very high	97.5	Very high	57 Å²	57	63.6 Å²	63.6	25%	0.25	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-50.8	174.6	158.9	-95.3	0	0	0	112.3	N369 F370 K375 K376 M377 F523 H524	N369-F373 WeakPolarHBondContact O-CB 3.31Å; N369-F373 PolarHBondContact O-N 2.83Å; F370-F373 AromaticContact CD2-CD1 3.82Å; F370-F373 HydrophobicContact CD2-CD1 3.82Å; F370-F373 HydrophobicContact CD2-CE1 4.37Å; F370-F373 AromaticContact CE2-CD1 3.84Å; F370-F373 HydrophobicContact CE2-CD1 3.84Å; F370-F373 AromaticContact CE2-CE1 3.95Å; F370-F373 HydrophobicContact CE2-CE1 3.95Å; F370-F373 PolarHBondContact O-N 3.15Å; F373-K375 VanDerWaalsContact C-N 3.32Å; F373-K375 PolarHBondContact O-N 2.55Å; F373-K376 PolarHBondContact O-N 3.46Å; F373-M377 HydrophobicContact CE1-SD 4.14Å; F373-M377 HydrophobicContact CE2-CB 4.27Å; F373-M377 HydrophobicContact CE2-SD 4.23Å; F373-M377 HydrophobicContact CZ-CB 4.14Å; F373-M377 HydrophobicContact CZ-CG 4.36Å; F373-M377 HydrophobicContact CZ-SD 3.46Å; F373-M377 WeakPolarHBondContact CZ-SD 3.5Å; F373-M377 WeakPolarHBondContact O-CB 3.27Å; F373-M377 PolarHBondContact O-N 3.08Å; F373-F523 HydrophobicContact CE1-CD1 4.43Å; F373-F523 AromaticContact CE1-CE1 3.83Å; F373-F523 HydrophobicContact CE1-CE1 3.83Å; F373-F523 HydrophobicContact CZ-CE1 4.15Å; F373-H524 AromaticContact CD1-CE1 3.74Å; F373-H524 AromaticContact CE1-CE1 3.36Å; F373-H524 WeakPolarHBondContact CE1-CE1 3.27Å; F373-H524 AromaticContact CZ-CE1 3.72Å
374	A	98.3	Very high	97.7	Very high	8 Å²	8	66.4 Å²	66.4	7%	0.066	33%	0.326	C	S	.	.	H	α-helix	trans	-61.5	-42.2	-176.7	0	0	0	0	0	110.8	F370 K371 M377 D378 L468	F370-A374 HydrophobicContact CD1-CB 4.48Å; F370-A374 HydrophobicContact CE1-CB 4.12Å; F370-A374 HydrophobicContact CZ-CB 4.41Å; F370-A374 VanDerWaalsContact O-CB 3.3Å; F370-A374 WeakPolarHBondContact O-CB 3.4Å; F370-A374 PolarHBondContact O-N 3.46Å; K371-A374 PolarHBondContact O-N 2.98Å; A374-M377 PolarHBondContact O-N 3.1Å; A374-D378 WeakPolarHBondContact O-CB 3.45Å; A374-D378 PolarHBondContact O-N 3.49Å; A374-L468 HydrophobicContact CB-CD2 4.17Å
375	K	98.2	Very high	97.9	Very high	113 Å²	113	65.1 Å²	65.1	49%	0.491	32%	0.322	S	S	.	.	H	α-helix	trans	-62.8	-46.9	175.4	-179.6	53.8	-176.9	146.3	0	112	K371 F373 M377 D378 D379	K371-K375 PolarHBondContact O-N 2.93Å; F373-K375 VanDerWaalsContact C-N 3.32Å; F373-K375 PolarHBondContact O-N 2.55Å; K375-M377 VanDerWaalsContact C-N 3.31Å; K375-M377 PolarHBondContact O-N 3.07Å; K375-D378 IonicContact NZ-OD2 3.88Å; K375-D378 PolarHBondContact O-N 2.99Å; K375-D379 IonicContact NZ-OD1 3.53Å; K375-D379 PolarHBondContact NZ-OD1 2.91Å; K375-D379 IonicContact NZ-OD2 3.68Å; K375-D379 PolarHBondContact O-N 3.01Å; K375-D379 VanDerWaalsContact O-N 3.13Å
376	K	98.6	Very high	98	Very high	137 Å²	137	65.4 Å²	65.4	60%	0.596	32%	0.323	S	S	*	.	H	α-helix	trans	-63.5	-39.7	178.4	-178.2	58.5	179.8	178.4	0	111.9	T372 F373 S380	T372-K376 PolarHBondContact O-N 3.05Å; F373-K376 PolarHBondContact O-N 3.46Å; K376-S380 WeakPolarHBondContact O-CB 3.44Å; K376-S380 PolarHBondContact O-N 3.3Å; K376-S380 PolarHBondContact O-OG 3.41Å
377	M	98.5	Very high	98.1	Very high	22 Å²	22	65.5 Å²	65.5	11%	0.108	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-43.2	177.2	-173.9	178.9	176	0	0	111.3	F373 A374 K375 S380 V381 Y464 L468 F523 R527 F531	F373-M377 HydrophobicContact CE1-SD 4.14Å; F373-M377 HydrophobicContact CE2-CB 4.27Å; F373-M377 HydrophobicContact CE2-SD 4.23Å; F373-M377 HydrophobicContact CZ-CB 4.14Å; F373-M377 HydrophobicContact CZ-CG 4.36Å; F373-M377 HydrophobicContact CZ-SD 3.46Å; F373-M377 WeakPolarHBondContact CZ-SD 3.5Å; F373-M377 WeakPolarHBondContact O-CB 3.27Å; F373-M377 PolarHBondContact O-N 3.08Å; A374-M377 PolarHBondContact O-N 3.1Å; K375-M377 VanDerWaalsContact C-N 3.31Å; K375-M377 PolarHBondContact O-N 3.07Å; M377-S380 PolarHBondContact O-N 2.64Å; M377-V381 HydrophobicContact CE-CG2 4.32Å; M377-V381 HydrophobicContact CG-CG2 4.15Å; M377-V381 WeakPolarHBondContact O-CB 3.31Å; M377-V381 VanDerWaalsContact O-CG2 3.28Å; M377-V381 WeakPolarHBondContact O-CG2 3.41Å; M377-V381 PolarHBondContact O-N 2.82Å; M377-Y464 HydrophobicContact CE-CD1 3.75Å; M377-Y464 HydrophobicContact CE-CE1 4.3Å; M377-Y464 HydrophobicContact CE-CG 4.3Å; M377-L468 HydrophobicContact CB-CD1 4.32Å; M377-L468 HydrophobicContact CB-CD2 4.45Å; M377-L468 HydrophobicContact CE-CD1 4.48Å; M377-L468 HydrophobicContact CG-CD1 3.91Å; M377-L468 HydrophobicContact SD-CD1 4.21Å; M377-L468 HydrophobicContact SD-CD2 4.24Å; M377-F523 HydrophobicContact CE-CZ 4.1Å; M377-F523 HydrophobicContact SD-CE1 3.89Å; M377-F523 HydrophobicContact SD-CZ 3.77Å; M377-R527 HydrophobicContact CE-CG 3.76Å; M377-F531 HydrophobicContact CE-CE2 3.66Å; M377-F531 HydrophobicContact CE-CZ 3.79Å
378	D	98.2	Very high	98.2	Very high	32 Å²	32	65.7 Å²	65.7	17%	0.171	33%	0.333	C	S	.	.	H	α-helix	trans	-56.9	-50.3	176.3	-178.2	55.5	0	0	0	111.5	A374 K375 S380 V381 M382 L468	A374-D378 WeakPolarHBondContact O-CB 3.45Å; A374-D378 PolarHBondContact O-N 3.49Å; K375-D378 IonicContact NZ-OD2 3.88Å; K375-D378 PolarHBondContact O-N 2.99Å; D378-S380 VanDerWaalsContact C-N 3.33Å; D378-S380 PolarHBondContact O-N 2.92Å; D378-V381 PolarHBondContact O-N 3.13Å; D378-M382 WeakPolarHBondContact O-CB 3.29Å; D378-M382 WeakPolarHBondContact O-CG 3.03Å; D378-M382 PolarHBondContact O-N 2.87Å; D378-L468 HydrophobicContact CB-CB 4.35Å; D378-L468 HydrophobicContact CB-CD1 4.18Å
379	D	98.3	Very high	98.2	Very high	67 Å²	67	65.6 Å²	65.6	36%	0.358	34%	0.337	S	S	.	.	H	α-helix	trans	-58.7	-43.6	177	-65.9	-27.2	0	0	0	111.9	K375 M382 Q383	K375-D379 IonicContact NZ-OD1 3.53Å; K375-D379 PolarHBondContact NZ-OD1 2.91Å; K375-D379 IonicContact NZ-OD2 3.68Å; K375-D379 PolarHBondContact O-N 3.01Å; K375-D379 VanDerWaalsContact O-N 3.13Å; D379-M382 PolarHBondContact O-N 3.36Å; D379-Q383 WeakPolarHBondContact O-CB 3.12Å; D379-Q383 PolarHBondContact O-N 2.76Å
380	S	98.5	Very high	98.2	Very high	49 Å²	49	64.2 Å²	64.2	34%	0.343	33%	0.327	S	S	.	.	H	α-helix	trans	-70.4	-37.3	179.5	-69.2	0	0	0	0	113.3	K376 M377 D378 Q383 L384	K376-S380 WeakPolarHBondContact O-CB 3.44Å; K376-S380 PolarHBondContact O-N 3.3Å; K376-S380 PolarHBondContact O-OG 3.41Å; M377-S380 PolarHBondContact O-N 2.64Å; D378-S380 VanDerWaalsContact C-N 3.33Å; D378-S380 PolarHBondContact O-N 2.92Å; S380-Q383 PolarHBondContact O-N 2.9Å; S380-L384 WeakPolarHBondContact O-CB 3.49Å; S380-L384 PolarHBondContact O-N 3.46Å
381	V	98.4	Very high	98.2	Very high	6 Å²	6	66.2 Å²	66.2	4%	0.036	34%	0.338	C	S	.	.	H	α-helix	trans	-66.2	-41.3	174.1	168.5	0	0	0	0	110.1	M377 D378 L384 T385 L461 Q465 L468 F531	M377-V381 HydrophobicContact CE-CG2 4.32Å; M377-V381 HydrophobicContact CG-CG2 4.15Å; M377-V381 WeakPolarHBondContact O-CB 3.31Å; M377-V381 VanDerWaalsContact O-CG2 3.28Å; M377-V381 WeakPolarHBondContact O-CG2 3.41Å; M377-V381 PolarHBondContact O-N 2.82Å; D378-V381 PolarHBondContact O-N 3.13Å; V381-L384 PolarHBondContact O-N 3.18Å; V381-T385 VanDerWaalsContact O-CB 3.3Å; V381-T385 WeakPolarHBondContact O-CB 3.29Å; V381-T385 PolarHBondContact O-N 2.78Å; V381-T385 PolarHBondContact O-OG1 3.13Å; V381-L461 HydrophobicContact CG1-CB 4.13Å; V381-L461 HydrophobicContact CG1-CD2 4.08Å; V381-L461 HydrophobicContact CG2-CD2 4.48Å; V381-Q465 HydrophobicContact CG1-CG 3.58Å; V381-L468 HydrophobicContact CG2-CD1 4.43Å; V381-F531 HydrophobicContact CG2-CZ 4.25Å
382	M	97.3	Very high	98.1	Very high	104 Å²	104	61.9 Å²	61.9	51%	0.512	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-46.9	173.5	-77.9	-159.9	160.6	0	0	112	D378 D379 L384 T385 H386	D378-M382 WeakPolarHBondContact O-CB 3.29Å; D378-M382 WeakPolarHBondContact O-CG 3.03Å; D378-M382 PolarHBondContact O-N 2.87Å; D379-M382 PolarHBondContact O-N 3.36Å; M382-L384 PolarHBondContact O-N 2.97Å; M382-T385 PolarHBondContact O-N 2.78Å; M382-H386 PolarHBondContact O-N 2.76Å
383	Q	98.4	Very high	98	Very high	130 Å²	130	63.5 Å²	63.5	61%	0.607	32%	0.316	S	S	*	.	H	α-helix	trans	-59.4	-48.1	177.2	-175.8	-176.3	1.2	0	0	111.7	D379 S380 T385 H386 V387	D379-Q383 WeakPolarHBondContact O-CB 3.12Å; D379-Q383 PolarHBondContact O-N 2.76Å; S380-Q383 PolarHBondContact O-N 2.9Å; Q383-T385 VanDerWaalsContact C-N 3.34Å; Q383-T385 PolarHBondContact O-N 3.05Å; Q383-H386 WeakPolarHBondContact O-CB 3.26Å; Q383-H386 PolarHBondContact O-N 3.07Å; Q383-V387 WeakPolarHBondContact O-CG2 3.33Å; Q383-V387 PolarHBondContact O-N 3.24Å
384	L	98.4	Very high	98	Very high	66 Å²	66	65.6 Å²	65.6	35%	0.346	32%	0.324	S	S	.	.	H	α-helix	trans	-63.8	-40.8	178.6	-179.5	58.8	0	0	0	111.7	S380 V381 M382 H386 V387 A388 L461	S380-L384 WeakPolarHBondContact O-CB 3.49Å; S380-L384 PolarHBondContact O-N 3.46Å; V381-L384 PolarHBondContact O-N 3.18Å; M382-L384 PolarHBondContact O-N 2.97Å; L384-H386 VanDerWaalsContact C-N 3.3Å; L384-H386 PolarHBondContact O-N 2.78Å; L384-V387 PolarHBondContact O-N 3.39Å; L384-A388 VanDerWaalsContact O-CB 3.25Å; L384-A388 WeakPolarHBondContact O-CB 3.29Å; L384-A388 PolarHBondContact O-N 2.8Å; L384-L461 HydrophobicContact CB-CD1 4.31Å; L384-L461 HydrophobicContact CD2-CD1 3.92Å; L384-L461 HydrophobicContact CD2-CD2 3.86Å; L384-L461 HydrophobicContact CG-CD1 3.75Å; L384-L461 HydrophobicContact CG-CD2 4.48Å
385	T	98.3	Very high	97.9	Very high	23 Å²	23	65.5 Å²	65.5	14%	0.141	32%	0.323	C	S	.	.	H	α-helix	trans	-59.2	-43	175.6	-59.6	0	0	0	0	111.2	V381 M382 Q383 S389 L458 L461	V381-T385 VanDerWaalsContact O-CB 3.3Å; V381-T385 WeakPolarHBondContact O-CB 3.29Å; V381-T385 PolarHBondContact O-N 2.78Å; V381-T385 PolarHBondContact O-OG1 3.13Å; M382-T385 PolarHBondContact O-N 2.78Å; Q383-T385 VanDerWaalsContact C-N 3.34Å; Q383-T385 PolarHBondContact O-N 3.05Å; T385-S389 VanDerWaalsContact O-CB 3.3Å; T385-S389 WeakPolarHBondContact O-CB 3.5Å; T385-S389 PolarHBondContact O-N 2.91Å; T385-S389 PolarHBondContact O-OG 3.15Å; T385-L458 HydrophobicContact CG2-CD2 3.92Å; T385-L461 WeakPolarHBondContact OG1-CB 3.32Å
386	H	98.3	Very high	97.6	Very high	118 Å²	118	64.2 Å²	64.2	55%	0.546	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-55.9	176.3	-176.9	76.1	0	0	0	111	M382 Q383 L384 A388 S389 E390	M382-H386 PolarHBondContact O-N 2.76Å; Q383-H386 WeakPolarHBondContact O-CB 3.26Å; Q383-H386 PolarHBondContact O-N 3.07Å; L384-H386 VanDerWaalsContact C-N 3.3Å; L384-H386 PolarHBondContact O-N 2.78Å; H386-A388 VanDerWaalsContact C-N 3.35Å; H386-A388 PolarHBondContact O-N 2.55Å; H386-S389 WeakPolarHBondContact O-CB 3.44Å; H386-S389 PolarHBondContact O-N 3.21Å; H386-S389 VanDerWaalsContact O-N 3.13Å; H386-E390 IonicContact CD2-OE2 3.97Å; H386-E390 IonicContact NE2-OE2 3.24Å; H386-E390 WeakPolarHBondContact O-CG 3.4Å; H386-E390 PolarHBondContact O-N 3.42Å
387	V	98.5	Very high	97.4	Very high	76 Å²	76	58.8 Å²	58.8	46%	0.461	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-43.1	-178.3	175	0	0	0	0	111.9	Q383 L384 E390 L391	Q383-V387 WeakPolarHBondContact O-CG2 3.33Å; Q383-V387 PolarHBondContact O-N 3.24Å; L384-V387 PolarHBondContact O-N 3.39Å; V387-E390 PolarHBondContact O-N 3.44Å; V387-L391 WeakPolarHBondContact O-CB 3.42Å; V387-L391 PolarHBondContact O-N 3.03Å
388	A	98.2	Very high	97.2	Very high	5 Å²	5	59.4 Å²	59.4	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-41.4	177.2	0	0	0	0	0	111.6	L384 H386 E390 L391 V392 L454 L458	L384-A388 VanDerWaalsContact O-CB 3.25Å; L384-A388 WeakPolarHBondContact O-CB 3.29Å; L384-A388 PolarHBondContact O-N 2.8Å; H386-A388 VanDerWaalsContact C-N 3.35Å; H386-A388 PolarHBondContact O-N 2.55Å; A388-E390 VanDerWaalsContact C-N 3.35Å; A388-E390 PolarHBondContact O-N 2.85Å; A388-L391 WeakPolarHBondContact O-CB 3.43Å; A388-L391 PolarHBondContact O-N 2.99Å; A388-V392 WeakPolarHBondContact O-CG2 3.11Å; A388-V392 PolarHBondContact O-N 2.69Å; A388-L454 HydrophobicContact CB-CD2 4.39Å; A388-L458 HydrophobicContact CB-CD2 3.75Å; A388-L458 HydrophobicContact CB-CG 4.16Å
389	S	97.3	Very high	97.1	Very high	54 Å²	54	61.2 Å²	61.2	38%	0.378	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-38.8	176.1	-59.5	0	0	0	0	112.2	T385 H386 L391 V392 R393 L458	T385-S389 VanDerWaalsContact O-CB 3.3Å; T385-S389 WeakPolarHBondContact O-CB 3.5Å; T385-S389 PolarHBondContact O-N 2.91Å; T385-S389 PolarHBondContact O-OG 3.15Å; H386-S389 WeakPolarHBondContact O-CB 3.44Å; H386-S389 PolarHBondContact O-N 3.21Å; H386-S389 VanDerWaalsContact O-N 3.13Å; S389-L391 VanDerWaalsContact C-N 3.33Å; S389-V392 WeakPolarHBondContact O-CB 3.43Å; S389-V392 PolarHBondContact O-N 2.87Å; S389-R393 PolarHBondContact O-N 3.02Å; S389-L458 WeakPolarHBondContact OG-CD2 2.98Å
390	E	97.6	Very high	96.9	Very high	67 Å²	67	62.3 Å²	62.3	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-63.4	-40.9	172.9	-64.9	-152	90.4	0	0	112.3	H386 V387 A388 R393 K394	H386-E390 IonicContact CD2-OE2 3.97Å; H386-E390 IonicContact NE2-OE2 3.24Å; H386-E390 WeakPolarHBondContact O-CG 3.4Å; H386-E390 PolarHBondContact O-N 3.42Å; V387-E390 PolarHBondContact O-N 3.44Å; A388-E390 VanDerWaalsContact C-N 3.35Å; A388-E390 PolarHBondContact O-N 2.85Å; E390-R393 VanDerWaalsContact CG-NH2 3.25Å; E390-R393 PolarHBondContact O-N 3.41Å; E390-R393 IonicContact OE1-NH2 3.05Å; E390-R393 PolarHBondContact OE1-NH2 3.46Å; E390-K394 PolarHBondContact O-N 3.23Å
391	L	97.5	Very high	96.9	Very high	49 Å²	49	66.9 Å²	66.9	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-41.1	178.6	-172.5	59	0	0	0	111.4	V387 A388 S389 R393 K394 H395 F399 L454	V387-L391 WeakPolarHBondContact O-CB 3.42Å; V387-L391 PolarHBondContact O-N 3.03Å; A388-L391 WeakPolarHBondContact O-CB 3.43Å; A388-L391 PolarHBondContact O-N 2.99Å; S389-L391 VanDerWaalsContact C-N 3.33Å; L391-R393 VanDerWaalsContact C-N 3.34Å; L391-R393 PolarHBondContact O-N 2.88Å; L391-K394 PolarHBondContact O-N 3.37Å; L391-H395 VanDerWaalsContact CD1-CE1 3.48Å; L391-H395 WeakPolarHBondContact CD1-CE1 3.43Å; L391-H395 VanDerWaalsContact CG-CE1 3.5Å; L391-H395 WeakPolarHBondContact CG-CE1 3.13Å; L391-H395 PolarHBondContact O-N 2.95Å; L391-H395 PolarHBondContact O-ND1 3.38Å; L391-F399 HydrophobicContact CD1-CE2 4.15Å; L391-F399 HydrophobicContact CD1-CZ 4.49Å; L391-L454 HydrophobicContact CB-CD1 4.28Å; L391-L454 HydrophobicContact CD2-CD1 4.04Å; L391-L454 HydrophobicContact CD2-CD2 4.13Å; L391-L454 HydrophobicContact CG-CD1 3.94Å
392	V	97.4	Very high	96.8	Very high	16 Å²	16	71.1 Å²	71.1	10%	0.097	36%	0.355	C	S	.	.	H	α-helix	trans	-53.7	-50.7	171.2	166.4	0	0	0	0	110.8	A388 S389 K394 H395 L396 P450 L454 F455 L458	A388-V392 WeakPolarHBondContact O-CG2 3.11Å; A388-V392 PolarHBondContact O-N 2.69Å; S389-V392 WeakPolarHBondContact O-CB 3.43Å; S389-V392 PolarHBondContact O-N 2.87Å; V392-K394 VanDerWaalsContact C-N 3.28Å; V392-K394 PolarHBondContact O-N 3.38Å; V392-H395 WeakPolarHBondContact O-CB 3.35Å; V392-H395 PolarHBondContact O-N 3.31Å; V392-H395 VanDerWaalsContact O-N 3.11Å; V392-L396 HydrophobicContact CG1-CD1 3.79Å; V392-L396 HydrophobicContact CG1-CG 4.35Å; V392-L396 WeakPolarHBondContact O-CG 3.48Å; V392-L396 PolarHBondContact O-N 3.3Å; V392-P450 HydrophobicContact CG1-CB 4.43Å; V392-P450 HydrophobicContact CG2-CB 4.21Å; V392-L454 HydrophobicContact CG2-CB 3.67Å; V392-L454 HydrophobicContact CG2-CD1 3.83Å; V392-L454 HydrophobicContact CG2-CG 4.36Å; V392-F455 HydrophobicContact CG1-CE1 3.63Å; V392-F455 HydrophobicContact CG1-CZ 4.37Å; V392-F455 HydrophobicContact CG2-CD1 4.22Å; V392-F455 HydrophobicContact CG2-CE1 4.04Å; V392-L458 HydrophobicContact CG2-CD1 3.89Å
393	R	96.3	Very high	96.9	Very high	135 Å²	135	68.6 Å²	68.6	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-37.4	179.4	173.5	176.8	40.2	70	-2.2	112.2	S389 E390 L391 G397	S389-R393 PolarHBondContact O-N 3.02Å; E390-R393 VanDerWaalsContact CG-NH2 3.25Å; E390-R393 PolarHBondContact O-N 3.41Å; E390-R393 IonicContact OE1-NH2 3.05Å; E390-R393 PolarHBondContact OE1-NH2 3.46Å; L391-R393 VanDerWaalsContact C-N 3.34Å; L391-R393 PolarHBondContact O-N 2.88Å; R393-G397 PolarHBondContact O-N 3Å; R393-G397 VanDerWaalsContact O-N 3.16Å
394	K	97	Very high	96.8	Very high	100 Å²	100	65 Å²	65	44%	0.435	32%	0.324	S	S	.	.	I	π-helix	trans	-66	-39.8	174.1	-72.7	180	-179.2	176.2	0	112	E390 L391 V392 G398 F399	E390-K394 PolarHBondContact O-N 3.23Å; L391-K394 PolarHBondContact O-N 3.37Å; V392-K394 VanDerWaalsContact C-N 3.28Å; V392-K394 PolarHBondContact O-N 3.38Å; K394-G398 CarbonylContact O-C 3.58Å; K394-G398 WeakPolarHBondContact O-CA 3.35Å; K394-G398 PolarHBondContact O-N 2.9Å; K394-F399 HydrophobicContact CB-CD2 4.44Å; K394-F399 HydrophobicContact CB-CE2 4.09Å; K394-F399 HydrophobicContact CB-CZ 4.15Å; K394-F399 PolarHBondContact O-N 3.41Å
395	H	96.6	Very high	96.7	Very high	6 Å²	6	69.3 Å²	69.3	3%	0.028	34%	0.336	C	S	.	.	I	π-helix	trans	-63.4	-51.9	176.1	-79.7	75.3	0	0	0	112.2	L391 V392 G397 F399 F446 A447 P450	L391-H395 VanDerWaalsContact CD1-CE1 3.48Å; L391-H395 WeakPolarHBondContact CD1-CE1 3.43Å; L391-H395 VanDerWaalsContact CG-CE1 3.5Å; L391-H395 WeakPolarHBondContact CG-CE1 3.13Å; L391-H395 PolarHBondContact O-N 2.95Å; L391-H395 PolarHBondContact O-ND1 3.38Å; V392-H395 WeakPolarHBondContact O-CB 3.35Å; V392-H395 PolarHBondContact O-N 3.31Å; V392-H395 VanDerWaalsContact O-N 3.11Å; H395-G397 VanDerWaalsContact C-N 3.29Å; H395-G397 PolarHBondContact O-N 3Å; H395-F399 HydrophobicContact CB-CD2 4.5Å; H395-F399 AromaticContact CE1-CE2 3.68Å; H395-F399 AromaticContact CG-CD2 3.95Å; H395-F399 AromaticContact ND1-CD2 3.88Å; H395-F399 AromaticContact ND1-CE2 3.71Å; H395-F446 WeakPolarHBondContact CB-O 3.47Å; H395-F446 AromaticContact CD2-CD1 3.73Å; H395-F446 PolarHBondContact CD2-O 3.4Å; H395-F446 AromaticContact NE2-CD1 3.89Å; H395-A447 WeakPolarHBondContact O-CA 3.44Å; H395-P450 HydrophobicContact CB-CG 3.47Å; H395-P450 VanDerWaalsContact CB-CG 3.47Å
396	L	93	Very high	96.7	Very high	86 Å²	86	71.5 Å²	71.5	45%	0.45	35%	0.346	S	S	.	.	I	π-helix	trans	-64.4	-32.2	-177.1	-65.6	174.3	0	0	0	113.3	V392 A447	V392-L396 HydrophobicContact CG1-CD1 3.79Å; V392-L396 HydrophobicContact CG1-CG 4.35Å; V392-L396 WeakPolarHBondContact O-CG 3.48Å; V392-L396 PolarHBondContact O-N 3.3Å; L396-A447 VanDerWaalsContact CD2-O 3.24Å; L396-A447 WeakPolarHBondContact CD2-O 3.32Å
397	G	94.3	Very high	96.7	Very high	24 Å²	24	65.9 Å²	65.9	25%	0.247	32%	0.32	C	S	.	.	I	π-helix	trans	-118.1	-68.2	-175	0	0	0	0	0	114	R393 H395 K401	R393-G397 PolarHBondContact O-N 3Å; R393-G397 VanDerWaalsContact O-N 3.16Å; H395-G397 VanDerWaalsContact C-N 3.29Å; H395-G397 PolarHBondContact O-N 3Å; G397-K401 WeakPolarHBondContact O-CB 3.36Å; G397-K401 VanDerWaalsContact O-CG 3.26Å; G397-K401 WeakPolarHBondContact O-CG 3.49Å; G397-K401 PolarHBondContact O-N 3.23Å
398	G	94.1	Very high	96.7	Very high	35 Å²	35	66.2 Å²	66.2	36%	0.361	32%	0.319	S	S	.	.	I	π-helix	trans	-58.9	-57.7	-168.8	0	0	0	0	0	113.7	K394 K401 E402	K394-G398 CarbonylContact O-C 3.58Å; K394-G398 WeakPolarHBondContact O-CA 3.35Å; K394-G398 PolarHBondContact O-N 2.9Å; G398-K401 PolarHBondContact O-N 3.42Å; G398-E402 WeakPolarHBondContact O-CG 3.28Å; G398-E402 PolarHBondContact O-N 3.5Å
399	F	94.8	Very high	96.7	Very high	69 Å²	69	68.3 Å²	68.3	30%	0.303	34%	0.337	S	S	.	.	I	π-helix	trans	-63.3	-45.3	-178.4	-61.8	-31.2	0	0	0	111.7	L391 K394 H395 K401 E402 F403 F446	L391-F399 HydrophobicContact CD1-CE2 4.15Å; L391-F399 HydrophobicContact CD1-CZ 4.49Å; K394-F399 HydrophobicContact CB-CD2 4.44Å; K394-F399 HydrophobicContact CB-CE2 4.09Å; K394-F399 HydrophobicContact CB-CZ 4.15Å; K394-F399 PolarHBondContact O-N 3.41Å; H395-F399 HydrophobicContact CB-CD2 4.5Å; H395-F399 AromaticContact CE1-CE2 3.68Å; H395-F399 AromaticContact CG-CD2 3.95Å; H395-F399 AromaticContact ND1-CD2 3.88Å; H395-F399 AromaticContact ND1-CE2 3.71Å; F399-K401 VanDerWaalsContact C-N 3.32Å; F399-K401 PolarHBondContact O-N 3.08Å; F399-E402 PolarHBondContact O-N 2.87Å; F399-F403 HydrophobicContact CB-CD2 4.5Å; F399-F403 WeakPolarHBondContact O-CD2 3.4Å; F399-F403 PolarHBondContact O-N 3.39Å; F399-F446 HydrophobicContact CB-CB 4.07Å; F399-F446 HydrophobicContact CB-CD1 4.12Å; F399-F446 HydrophobicContact CB-CG 4.07Å; F399-F446 AromaticContact CD2-CD1 3.78Å; F399-F446 HydrophobicContact CD2-CD1 3.78Å; F399-F446 HydrophobicContact CD2-CE1 4.21Å; F399-F446 HydrophobicContact CG-CD1 4.27Å
400	R	95.7	Very high	96.8	Very high	91 Å²	91	68.4 Å²	68.4	34%	0.343	33%	0.331	S	S	.	.	H	α-helix	trans	-51.6	-51.1	174.9	-173.7	-174.5	-175.8	175	1.1	111.9	F403 Q404 E444 A447	R400-F403 PolarHBondContact O-N 3.49Å; R400-Q404 WeakPolarHBondContact O-CB 3.33Å; R400-Q404 VanDerWaalsContact O-CG 3.27Å; R400-Q404 WeakPolarHBondContact O-CG 3.48Å; R400-Q404 PolarHBondContact O-N 3.17Å; R400-E444 IonicContact CZ-OE1 2.8Å; R400-E444 IonicContact CZ-OE2 3.92Å; R400-E444 VanDerWaalsContact NE-CD 3.31Å; R400-E444 IonicContact NE-OE1 3.92Å; R400-E444 PolarHBondContact NE-OE1 3.5Å; R400-E444 IonicContact NE-OE2 2.76Å; R400-E444 PolarHBondContact NE-OE2 3.42Å; R400-E444 VanDerWaalsContact NE-OE2 3.15Å; R400-E444 IonicContact NH1-OE2 2.78Å; R400-E444 IonicContact NH2-OE1 3.7Å; R400-E444 PolarHBondContact NH2-OE1 2.87Å; R400-E444 IonicContact NH2-OE2 3.16Å; R400-E444 PolarHBondContact NH2-OE2 2.97Å; R400-A447 HydrophobicContact CB-CB 4.24Å; R400-A447 HydrophobicContact CG-CB 4.24Å
401	K	96.9	Very high	96.8	Very high	144 Å²	144	67 Å²	67	63%	0.626	32%	0.324	S	S	*	.	H	α-helix	trans	-64.6	-42.3	-178.7	-74.3	176.9	-179.2	-175.5	0	112.9	G397 G398 F399 Q404 R405	G397-K401 WeakPolarHBondContact O-CB 3.36Å; G397-K401 VanDerWaalsContact O-CG 3.26Å; G397-K401 WeakPolarHBondContact O-CG 3.49Å; G397-K401 PolarHBondContact O-N 3.23Å; G398-K401 PolarHBondContact O-N 3.42Å; F399-K401 VanDerWaalsContact C-N 3.32Å; F399-K401 PolarHBondContact O-N 3.08Å; K401-Q404 PolarHBondContact O-N 2.71Å; K401-R405 WeakPolarHBondContact O-CB 3.41Å; K401-R405 PolarHBondContact O-N 3.44Å
402	E	97.6	Very high	96.8	Very high	95 Å²	95	68 Å²	68	44%	0.444	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-44.2	179.7	-72	-62.8	132.2	0	0	111.5	G398 F399 R405 L406	G398-E402 WeakPolarHBondContact O-CG 3.28Å; G398-E402 PolarHBondContact O-N 3.5Å; F399-E402 PolarHBondContact O-N 2.87Å; E402-R405 PolarHBondContact O-N 2.78Å; E402-R405 IonicContact OE1-CZ 3.58Å; E402-R405 IonicContact OE1-NH1 2.8Å; E402-R405 PolarHBondContact OE1-NH1 3.45Å; E402-R405 IonicContact OE1-NH2 3.69Å; E402-R405 IonicContact OE2-CZ 3.23Å; E402-R405 VanDerWaalsContact OE2-CZ 3.23Å; E402-R405 IonicContact OE2-NH1 3.28Å; E402-R405 PolarHBondContact OE2-NH1 2.92Å; E402-R405 IonicContact OE2-NH2 2.69Å; E402-R405 PolarHBondContact OE2-NH2 2.98Å; E402-L406 PolarHBondContact O-N 2.86Å
403	F	98	Very high	96.8	Very high	52 Å²	52	71 Å²	71	23%	0.228	35%	0.349	C	S	.	.	H	α-helix	trans	-68.8	-38.1	177.3	-77.1	-61.4	0	0	0	113	F399 R400 L406 G407 Y439 I442 F446	F399-F403 HydrophobicContact CB-CD2 4.5Å; F399-F403 WeakPolarHBondContact O-CD2 3.4Å; F399-F403 PolarHBondContact O-N 3.39Å; R400-F403 PolarHBondContact O-N 3.49Å; F403-L406 PolarHBondContact O-N 3.49Å; F403-G407 PolarHBondContact O-N 3.47Å; F403-Y439 WeakPolarHBondContact CB-O 3.38Å; F403-Y439 AromaticContact CD1-CD1 3.69Å; F403-Y439 HydrophobicContact CD1-CD1 3.69Å; F403-Y439 HydrophobicContact CD1-CE1 4.24Å; F403-Y439 HydrophobicContact CE1-CD1 4.09Å; F403-Y439 HydrophobicContact CE1-CE1 4.2Å; F403-I442 HydrophobicContact CD1-CG2 4.19Å; F403-I442 HydrophobicContact CD2-CG2 4.26Å; F403-I442 HydrophobicContact CE1-CG2 4.15Å; F403-I442 HydrophobicContact CE2-CG2 4.27Å; F403-I442 HydrophobicContact CG-CG2 4.23Å; F403-I442 HydrophobicContact CZ-CG2 4.2Å; F403-F446 AromaticContact CD2-CD2 3.73Å; F403-F446 HydrophobicContact CD2-CD2 3.73Å; F403-F446 HydrophobicContact CD2-CE2 4.01Å; F403-F446 AromaticContact CE2-CD2 3.4Å; F403-F446 HydrophobicContact CE2-CD2 3.4Å; F403-F446 AromaticContact CE2-CE2 3.21Å; F403-F446 HydrophobicContact CE2-CE2 3.21Å; F403-F446 HydrophobicContact CE2-CG 4.26Å; F403-F446 AromaticContact CE2-CZ 3.94Å; F403-F446 HydrophobicContact CE2-CZ 3.94Å; F403-F446 HydrophobicContact CZ-CD2 4.28Å; F403-F446 AromaticContact CZ-CE2 3.69Å; F403-F446 HydrophobicContact CZ-CE2 3.69Å; F403-F446 HydrophobicContact CZ-CZ 4.33Å
404	Q	96.4	Very high	96.9	Very high	55 Å²	55	65 Å²	65	26%	0.257	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-40.8	171.1	-75.3	174.6	-13.3	0	0	111.9	R400 K401 L406 G407 N408 E444	R400-Q404 WeakPolarHBondContact O-CB 3.33Å; R400-Q404 VanDerWaalsContact O-CG 3.27Å; R400-Q404 WeakPolarHBondContact O-CG 3.48Å; R400-Q404 PolarHBondContact O-N 3.17Å; K401-Q404 PolarHBondContact O-N 2.71Å; Q404-L406 VanDerWaalsContact C-N 3.34Å; Q404-L406 PolarHBondContact O-N 2.87Å; Q404-G407 PolarHBondContact O-N 3.2Å; Q404-N408 WeakPolarHBondContact O-CB 3.48Å; Q404-N408 PolarHBondContact O-N 3.05Å; Q404-N408 PolarHBondContact O-ND2 3.37Å; Q404-E444 PolarHBondContact NE2-OE1 2.87Å
405	R	98.1	Very high	96.8	Very high	156 Å²	156	65.8 Å²	65.8	59%	0.589	33%	0.334	S	S	*	.	H	α-helix	trans	-62.2	-43.4	177.2	-169.1	176.8	78.4	-135.1	-6.9	111.3	K401 E402 A409	K401-R405 WeakPolarHBondContact O-CB 3.41Å; K401-R405 PolarHBondContact O-N 3.44Å; E402-R405 PolarHBondContact O-N 2.78Å; E402-R405 IonicContact OE1-CZ 3.58Å; E402-R405 IonicContact OE1-NH1 2.8Å; E402-R405 PolarHBondContact OE1-NH1 3.45Å; E402-R405 IonicContact OE1-NH2 3.69Å; E402-R405 IonicContact OE2-CZ 3.23Å; E402-R405 VanDerWaalsContact OE2-CZ 3.23Å; E402-R405 IonicContact OE2-NH1 3.28Å; E402-R405 PolarHBondContact OE2-NH1 2.92Å; E402-R405 IonicContact OE2-NH2 2.69Å; E402-R405 PolarHBondContact OE2-NH2 2.98Å; R405-A409 PolarHBondContact O-N 3.18Å; R405-A409 VanDerWaalsContact O-N 3.14Å
406	L	98.3	Very high	96.9	Very high	69 Å²	69	68.1 Å²	68.1	36%	0.361	35%	0.354	S	S	.	.	H	α-helix	trans	-63.6	-44.7	175.3	-179.8	59.4	0	0	0	111.7	E402 F403 Q404 N408 A409 F410 Y439	E402-L406 PolarHBondContact O-N 2.86Å; F403-L406 PolarHBondContact O-N 3.49Å; Q404-L406 VanDerWaalsContact C-N 3.34Å; Q404-L406 PolarHBondContact O-N 2.87Å; L406-N408 PolarHBondContact O-N 3.38Å; L406-A409 WeakPolarHBondContact O-CB 3.47Å; L406-A409 PolarHBondContact O-N 2.81Å; L406-F410 HydrophobicContact CD1-CD2 4.21Å; L406-F410 HydrophobicContact CD1-CE2 3.61Å; L406-F410 HydrophobicContact CD1-CZ 4.1Å; L406-F410 HydrophobicContact CD2-CE2 4.26Å; L406-F410 HydrophobicContact CG-CD2 4.16Å; L406-F410 HydrophobicContact CG-CE2 3.68Å; L406-F410 VanDerWaalsContact O-CD2 3.31Å; L406-F410 WeakPolarHBondContact O-CD2 3.34Å; L406-F410 PolarHBondContact O-N 2.85Å; L406-Y439 HydrophobicContact CD2-CD1 3.73Å; L406-Y439 HydrophobicContact CD2-CD2 4.26Å; L406-Y439 HydrophobicContact CD2-CE1 3.67Å; L406-Y439 HydrophobicContact CD2-CE2 4.24Å; L406-Y439 HydrophobicContact CD2-CG 4.01Å; L406-Y439 HydrophobicContact CG-CD1 4.48Å; L406-Y439 HydrophobicContact CG-CD2 4.45Å; L406-Y439 HydrophobicContact CG-CG 4.3Å
407	G	98.2	Very high	97	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-58.8	-46.4	177.4	0	0	0	0	0	113.1	F403 Q404 A409 F410 Q411 G436	F403-G407 PolarHBondContact O-N 3.47Å; Q404-G407 PolarHBondContact O-N 3.2Å; G407-A409 VanDerWaalsContact C-N 3.32Å; G407-A409 PolarHBondContact O-N 3.16Å; G407-F410 PolarHBondContact O-N 3.26Å; G407-Q411 WeakPolarHBondContact O-CG 3.39Å; G407-Q411 PolarHBondContact O-N 3.23Å; G407-Q411 VanDerWaalsContact O-N 3.13Å; G407-G436 WeakPolarHBondContact CA-O 3.32Å; G407-G436 VanDerWaalsContact O-CA 3.24Å; G407-G436 WeakPolarHBondContact O-CA 3.15Å
408	N	98.1	Very high	97.1	Very high	82 Å²	82	70.8 Å²	70.8	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-59.9	-40.2	175.3	-77.2	-48.8	0	0	0	112.4	Q404 L406 F410 Q411 S412 E440	Q404-N408 WeakPolarHBondContact O-CB 3.48Å; Q404-N408 PolarHBondContact O-N 3.05Å; Q404-N408 PolarHBondContact O-ND2 3.37Å; L406-N408 PolarHBondContact O-N 3.38Å; N408-F410 PolarHBondContact O-N 3.42Å; N408-Q411 PolarHBondContact O-N 3.32Å; N408-S412 PolarHBondContact O-N 3.23Å; N408-S412 PolarHBondContact O-OG 3.38Å; N408-S412 VanDerWaalsContact O-OG 3.12Å; N408-E440 PolarHBondContact OD1-OE1 3.39Å
409	A	98.6	Very high	97.1	Very high	49 Å²	49	76 Å²	76	41%	0.405	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-42.3	178.3	0	0	0	0	0	112.2	R405 L406 G407 Q411 S412 I413	R405-A409 PolarHBondContact O-N 3.18Å; R405-A409 VanDerWaalsContact O-N 3.14Å; L406-A409 WeakPolarHBondContact O-CB 3.47Å; L406-A409 PolarHBondContact O-N 2.81Å; G407-A409 VanDerWaalsContact C-N 3.32Å; G407-A409 PolarHBondContact O-N 3.16Å; A409-Q411 PolarHBondContact O-N 3.49Å; A409-S412 PolarHBondContact O-N 3.27Å; A409-I413 WeakPolarHBondContact O-CG1 3.34Å; A409-I413 PolarHBondContact O-N 3.35Å; A409-I413 VanDerWaalsContact O-N 3.13Å
410	F	98.4	Very high	97.1	Very high	57 Å²	57	76.9 Å²	76.9	25%	0.25	39%	0.388	C	S	.	.	H	α-helix	trans	-62.3	-41.7	173.9	-73.7	-59.1	0	0	0	112.2	L406 G407 N408 S412 I413 S414 I432 T435 Y439	L406-F410 HydrophobicContact CD1-CD2 4.21Å; L406-F410 HydrophobicContact CD1-CE2 3.61Å; L406-F410 HydrophobicContact CD1-CZ 4.1Å; L406-F410 HydrophobicContact CD2-CE2 4.26Å; L406-F410 HydrophobicContact CG-CD2 4.16Å; L406-F410 HydrophobicContact CG-CE2 3.68Å; L406-F410 VanDerWaalsContact O-CD2 3.31Å; L406-F410 WeakPolarHBondContact O-CD2 3.34Å; L406-F410 PolarHBondContact O-N 2.85Å; G407-F410 PolarHBondContact O-N 3.26Å; N408-F410 PolarHBondContact O-N 3.42Å; F410-S412 VanDerWaalsContact C-N 3.34Å; F410-S412 PolarHBondContact O-N 3.34Å; F410-I413 PolarHBondContact O-N 2.83Å; F410-S414 PolarHBondContact O-N 2.86Å; F410-I432 HydrophobicContact CB-CG2 4.34Å; F410-I432 HydrophobicContact CD1-CG2 4.44Å; F410-I432 WeakPolarHBondContact O-CG2 3.34Å; F410-T435 HydrophobicContact CD1-CG2 4.39Å; F410-T435 HydrophobicContact CD2-CG2 3.85Å; F410-T435 HydrophobicContact CE1-CG2 4.4Å; F410-T435 HydrophobicContact CE2-CG2 3.84Å; F410-T435 HydrophobicContact CG-CG2 4.13Å; F410-T435 HydrophobicContact CZ-CG2 4.13Å; F410-Y439 AromaticContact CD2-CD2 3.97Å; F410-Y439 HydrophobicContact CD2-CD2 3.97Å; F410-Y439 HydrophobicContact CD2-CE2 4.4Å; F410-Y439 AromaticContact CE2-CD2 3.64Å; F410-Y439 HydrophobicContact CE2-CD2 3.64Å; F410-Y439 AromaticContact CE2-CE2 3.64Å; F410-Y439 HydrophobicContact CE2-CE2 3.64Å; F410-Y439 HydrophobicContact CZ-CE2 4.38Å
411	Q	97.4	Very high	96.8	Very high	38 Å²	38	76.6 Å²	76.6	18%	0.178	40%	0.397	C	S	.	.	H	α-helix	trans	-63.6	-40.3	177.3	-67.6	-179.1	45.8	0	0	112	G407 N408 A409 I413 S414 Q415 E440	G407-Q411 WeakPolarHBondContact O-CG 3.39Å; G407-Q411 PolarHBondContact O-N 3.23Å; G407-Q411 VanDerWaalsContact O-N 3.13Å; N408-Q411 PolarHBondContact O-N 3.32Å; A409-Q411 PolarHBondContact O-N 3.49Å; Q411-I413 VanDerWaalsContact C-N 3.33Å; Q411-I413 PolarHBondContact O-N 3.38Å; Q411-S414 WeakPolarHBondContact O-CB 3.27Å; Q411-S414 PolarHBondContact O-N 3.2Å; Q411-Q415 VanDerWaalsContact O-CG 3.29Å; Q411-Q415 WeakPolarHBondContact O-CG 3.27Å; Q411-Q415 PolarHBondContact O-N 3.16Å; Q411-E440 PolarHBondContact NE2-OE1 2.99Å; Q411-E440 PolarHBondContact NE2-OE2 2.87Å
412	S	98.2	Very high	96.7	Very high	68 Å²	68	74.8 Å²	74.8	48%	0.476	40%	0.4	S	S	.	.	H	α-helix	trans	-61.3	-39.7	174.9	-62.8	0	0	0	0	112.6	N408 A409 F410 Q415 A416	N408-S412 PolarHBondContact O-N 3.23Å; N408-S412 PolarHBondContact O-OG 3.38Å; N408-S412 VanDerWaalsContact O-OG 3.12Å; A409-S412 PolarHBondContact O-N 3.27Å; F410-S412 VanDerWaalsContact C-N 3.34Å; F410-S412 PolarHBondContact O-N 3.34Å; S412-Q415 PolarHBondContact O-N 2.99Å; S412-A416 PolarHBondContact O-N 3.16Å
413	I	97.8	Very high	96.4	Very high	80 Å²	80	79.7 Å²	79.7	41%	0.41	42%	0.416	S	S	.	.	H	α-helix	trans	-64.6	-47.6	174.7	-67.4	169.3	0	0	0	110.5	A409 F410 Q411 Q415 A416 F417 I432	A409-I413 WeakPolarHBondContact O-CG1 3.34Å; A409-I413 PolarHBondContact O-N 3.35Å; A409-I413 VanDerWaalsContact O-N 3.13Å; F410-I413 PolarHBondContact O-N 2.83Å; Q411-I413 VanDerWaalsContact C-N 3.33Å; Q411-I413 PolarHBondContact O-N 3.38Å; I413-Q415 VanDerWaalsContact C-N 3.28Å; I413-Q415 PolarHBondContact O-N 3.09Å; I413-A416 WeakPolarHBondContact O-CB 3.15Å; I413-A416 PolarHBondContact O-N 3.37Å; I413-A416 VanDerWaalsContact O-N 3.15Å; I413-F417 HydrophobicContact CG2-CD1 4.45Å; I413-F417 HydrophobicContact CG2-CE1 4.04Å; I413-F417 HydrophobicContact CG2-CE2 4.18Å; I413-F417 HydrophobicContact CG2-CZ 3.89Å; I413-F417 PolarHBondContact O-N 2.9Å; I413-I432 HydrophobicContact CG2-CG2 4.42Å
414	S	97.1	Very high	96.2	Very high	10 Å²	10	81.1 Å²	81.1	7%	0.07	42%	0.422	C	S	.	.	H	α-helix	trans	-56.3	-44.3	176.5	175.3	0	0	0	0	111.4	F410 Q411 F417 T418 N429 S433	F410-S414 PolarHBondContact O-N 2.86Å; Q411-S414 WeakPolarHBondContact O-CB 3.27Å; Q411-S414 PolarHBondContact O-N 3.2Å; S414-F417 PolarHBondContact O-N 2.95Å; S414-T418 WeakPolarHBondContact O-CG2 3.12Å; S414-T418 PolarHBondContact O-N 3.29Å; S414-N429 PolarHBondContact OG-O 3.22Å; S414-S433 WeakPolarHBondContact OG-CB 3.46Å
415	Q	96.4	Very high	96.1	Very high	116 Å²	116	80.9 Å²	80.9	54%	0.542	43%	0.427	S	S	.	.	H	α-helix	trans	-60.5	-46.4	175.4	-72.9	170.4	13.1	0	0	111.8	Q411 S412 I413 F417 T418	Q411-Q415 VanDerWaalsContact O-CG 3.29Å; Q411-Q415 WeakPolarHBondContact O-CG 3.27Å; Q411-Q415 PolarHBondContact O-N 3.16Å; S412-Q415 PolarHBondContact O-N 2.99Å; I413-Q415 VanDerWaalsContact C-N 3.28Å; I413-Q415 PolarHBondContact O-N 3.09Å; Q415-F417 VanDerWaalsContact C-N 3.26Å; Q415-F417 PolarHBondContact O-N 2.84Å; Q415-T418 PolarHBondContact O-N 3.11Å; Q415-T418 PolarHBondContact O-OG1 3.28Å
416	A	97.5	Very high	95.8	Very high	55 Å²	55	77.3 Å²	77.3	46%	0.455	42%	0.419	S	S	.	.	H	α-helix	trans	-57.8	-39.9	178	0	0	0	0	0	112.1	S412 I413 T418 L419	S412-A416 PolarHBondContact O-N 3.16Å; I413-A416 WeakPolarHBondContact O-CB 3.15Å; I413-A416 PolarHBondContact O-N 3.37Å; I413-A416 VanDerWaalsContact O-N 3.15Å; A416-T418 PolarHBondContact O-N 3.36Å; A416-L419 WeakPolarHBondContact O-CB 3.25Å; A416-L419 PolarHBondContact O-N 3.5Å; A416-L419 VanDerWaalsContact O-N 3.16Å
417	F	96.4	Very high	95.7	Very high	101 Å²	101	76.6 Å²	76.6	44%	0.443	42%	0.423	S	S	.	.	H	α-helix	trans	-70.1	-11.7	178.3	-70.3	4.3	0	0	0	114	I413 S414 Q415 K424 L428 N429 I432	I413-F417 HydrophobicContact CG2-CD1 4.45Å; I413-F417 HydrophobicContact CG2-CE1 4.04Å; I413-F417 HydrophobicContact CG2-CE2 4.18Å; I413-F417 HydrophobicContact CG2-CZ 3.89Å; I413-F417 PolarHBondContact O-N 2.9Å; S414-F417 PolarHBondContact O-N 2.95Å; Q415-F417 VanDerWaalsContact C-N 3.26Å; Q415-F417 PolarHBondContact O-N 2.84Å; F417-K424 WeakPolarHBondContact O-CB 3.43Å; F417-L428 HydrophobicContact CE2-CD2 4.49Å; F417-N429 WeakPolarHBondContact CB-OD1 3.42Å; F417-N429 WeakPolarHBondContact CD2-OD1 3.25Å; F417-N429 PolarHBondContact O-ND2 3.11Å; F417-I432 HydrophobicContact CD2-CD1 4.08Å; F417-I432 HydrophobicContact CE2-CD1 3.84Å
418	T	94.7	Very high	95.6	Very high	65 Å²	65	79.4 Å²	79.4	40%	0.399	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-12.6	173.4	66	0	0	0	0	113.6	S414 Q415 A416 D420 N429	S414-T418 WeakPolarHBondContact O-CG2 3.12Å; S414-T418 PolarHBondContact O-N 3.29Å; Q415-T418 PolarHBondContact O-N 3.11Å; Q415-T418 PolarHBondContact O-OG1 3.28Å; A416-T418 PolarHBondContact O-N 3.36Å; T418-D420 VanDerWaalsContact C-N 3.31Å; T418-D420 PolarHBondContact O-N 3.06Å; T418-N429 HydrophobicContact CG2-CB 4.47Å
419	L	95.5	Very high	95.5	Very high	145 Å²	145	75.7 Å²	75.7	76%	0.759	42%	0.418	S	S	*	.	S	Bend	trans	-77.2	-12.2	-172.6	-61.8	178.5	0	0	0	114.3	A416 P421	A416-L419 WeakPolarHBondContact O-CB 3.25Å; A416-L419 PolarHBondContact O-N 3.5Å; A416-L419 VanDerWaalsContact O-N 3.16Å; L419-P421 WeakPolarHBondContact O-CD 3.41Å
420	D	94.1	Very high	95.3	Very high	87 Å²	87	78.2 Å²	78.2	47%	0.465	43%	0.425	S	S	.	.			trans	-121.6	80.8	177.7	-170.4	10.2	0	0	0	111.3	T418 P422 Y423 K424	T418-D420 VanDerWaalsContact C-N 3.31Å; T418-D420 PolarHBondContact O-N 3.06Å; D420-P422 VanDerWaalsContact C-CD 3.46Å; D420-P422 WeakPolarHBondContact OD1-CD 3.45Å; D420-Y423 PolarHBondContact O-N 2.97Å; D420-Y423 VanDerWaalsContact O-N 3.15Å; D420-Y423 VanDerWaalsContact OD2-CD2 3.31Å; D420-Y423 WeakPolarHBondContact OD2-CD2 3.36Å; D420-K424 PolarHBondContact O-N 3.12Å
421	P	90.4	Very high	95.3	Very high	85 Å²	85	75.5 Å²	75.5	55%	0.552	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-58.4	-34.7	-167.3	-25.6	34.3	0	0	0	117.1	L419 Y423 K424	L419-P421 WeakPolarHBondContact O-CD 3.41Å; P421-Y423 PolarHBondContact O-N 3.49Å; P421-K424 WeakPolarHBondContact O-CG 3.38Å
422	P	93.2	Very high	95.3	Very high	106 Å²	106	74.6 Å²	74.6	69%	0.688	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-64.4	-25.5	177.7	-24.7	35.6	0	0	0	114.4	D420	D420-P422 VanDerWaalsContact C-CD 3.46Å; D420-P422 WeakPolarHBondContact OD1-CD 3.45Å
423	Y	92.3	Very high	95.3	Very high	197 Å²	197	72.3 Å²	72.3	77%	0.773	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-113.4	4.7	-176.4	-59.4	-78.1	0	0	0	113.4	D420 P421	D420-Y423 PolarHBondContact O-N 2.97Å; D420-Y423 VanDerWaalsContact O-N 3.15Å; D420-Y423 VanDerWaalsContact OD2-CD2 3.31Å; D420-Y423 WeakPolarHBondContact OD2-CD2 3.36Å; P421-Y423 PolarHBondContact O-N 3.49Å
424	K	92.7	Very high	95.3	Very high	83 Å²	83	71.9 Å²	71.9	36%	0.361	39%	0.389	S	S	.	.			trans	-72.1	144.5	179.6	79.7	-179.8	175.4	136.6	0	111.4	F417 D420 P421 D426	F417-K424 WeakPolarHBondContact O-CB 3.43Å; D420-K424 PolarHBondContact O-N 3.12Å; P421-K424 WeakPolarHBondContact O-CG 3.38Å; K424-D426 WeakPolarHBondContact CD-OD1 3.42Å; K424-D426 WeakPolarHBondContact CE-OD1 3.34Å; K424-D426 IonicContact NZ-OD1 2.74Å; K424-D426 PolarHBondContact NZ-OD1 3.05Å; K424-D426 IonicContact NZ-OD2 2.95Å; K424-D426 PolarHBondContact NZ-OD2 2.86Å
425	S	94.8	Very high	95.4	Very high	50 Å²	50	72 Å²	72	35%	0.35	39%	0.39	S	S	.	.			trans	-110.2	104.9	164	173.3	0	0	0	0	108.9	A427 L428 N429	S425-A427 PolarHBondContact O-N 3.44Å; S425-L428 PolarHBondContact O-N 2.88Å; S425-L428 PolarHBondContact OG-N 2.79Å; S425-N429 WeakPolarHBondContact O-CB 3.38Å; S425-N429 PolarHBondContact O-N 2.81Å; S425-N429 PolarHBondContact O-ND2 3Å; S425-N429 PolarHBondContact O-OD1 3.43Å
426	D	92.5	Very high	95.5	Very high	81 Å²	81	66.5 Å²	66.5	43%	0.433	36%	0.364	S	S	.	.	H	α-helix	trans	-61	-35	-179.5	-74	-40.1	0	0	0	111.7	K424 N430	K424-D426 WeakPolarHBondContact CD-OD1 3.42Å; K424-D426 WeakPolarHBondContact CE-OD1 3.34Å; K424-D426 IonicContact NZ-OD1 2.74Å; K424-D426 PolarHBondContact NZ-OD1 3.05Å; K424-D426 IonicContact NZ-OD2 2.95Å; K424-D426 PolarHBondContact NZ-OD2 2.86Å; D426-N430 VanDerWaalsContact O-CB 3.24Å; D426-N430 WeakPolarHBondContact O-CB 3.16Å; D426-N430 PolarHBondContact O-N 3.08Å; D426-N430 PolarHBondContact O-ND2 3.33Å
427	A	95	Very high	95.6	Very high	54 Å²	54	71.1 Å²	71.1	45%	0.446	37%	0.37	S	S	.	.	H	α-helix	trans	-66.7	-46.5	179.2	0	0	0	0	0	111.8	S425 N430 A431 L563	S425-A427 PolarHBondContact O-N 3.44Å; A427-N430 PolarHBondContact O-N 3.08Å; A427-A431 PolarHBondContact O-N 3.47Å; A427-L563 HydrophobicContact CB-CD2 3.32Å
428	L	96.4	Very high	95.7	Very high	59 Å²	59	66.6 Å²	66.6	31%	0.309	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-43.7	175	179.5	62.9	0	0	0	112	F417 S425 N430 A431 I432 Y560 L563	F417-L428 HydrophobicContact CE2-CD2 4.49Å; S425-L428 PolarHBondContact O-N 2.88Å; S425-L428 PolarHBondContact OG-N 2.79Å; L428-N430 VanDerWaalsContact C-N 3.31Å; L428-N430 PolarHBondContact O-N 3.49Å; L428-A431 PolarHBondContact O-N 3.29Å; L428-I432 HydrophobicContact CD1-CD1 3.98Å; L428-I432 HydrophobicContact CD1-CG1 4.21Å; L428-I432 HydrophobicContact CG-CD1 3.89Å; L428-I432 HydrophobicContact CG-CG1 4.48Å; L428-I432 WeakPolarHBondContact O-CG1 3.33Å; L428-I432 PolarHBondContact O-N 3.5Å; L428-Y560 HydrophobicContact CD1-CD1 4.19Å; L428-Y560 HydrophobicContact CD1-CE1 4.01Å; L428-L563 HydrophobicContact CB-CD1 4.21Å; L428-L563 HydrophobicContact CD1-CD1 3.91Å
429	N	95.7	Very high	95.8	Very high	4 Å²	4	66.2 Å²	66.2	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-61.8	-42.1	179.8	-68	-7.7	0	0	0	111.2	S414 F417 T418 S425 I432 S433	S414-N429 PolarHBondContact OG-O 3.22Å; F417-N429 WeakPolarHBondContact CB-OD1 3.42Å; F417-N429 WeakPolarHBondContact CD2-OD1 3.25Å; F417-N429 PolarHBondContact O-ND2 3.11Å; T418-N429 HydrophobicContact CG2-CB 4.47Å; S425-N429 WeakPolarHBondContact O-CB 3.38Å; S425-N429 PolarHBondContact O-N 2.81Å; S425-N429 PolarHBondContact O-ND2 3Å; S425-N429 PolarHBondContact O-OD1 3.43Å; N429-I432 PolarHBondContact O-N 3.01Å; N429-S433 WeakPolarHBondContact O-CB 3.43Å; N429-S433 PolarHBondContact O-N 3.03Å
430	N	95.8	Very high	96	Very high	102 Å²	102	61.9 Å²	61.9	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-41.7	174.9	-73.6	-29.2	0	0	0	112.2	D426 A427 L428 S433 H434	D426-N430 VanDerWaalsContact O-CB 3.24Å; D426-N430 WeakPolarHBondContact O-CB 3.16Å; D426-N430 PolarHBondContact O-N 3.08Å; D426-N430 PolarHBondContact O-ND2 3.33Å; A427-N430 PolarHBondContact O-N 3.08Å; L428-N430 VanDerWaalsContact C-N 3.31Å; L428-N430 PolarHBondContact O-N 3.49Å; N430-S433 PolarHBondContact O-N 2.94Å; N430-H434 WeakPolarHBondContact O-CB 3.16Å; N430-H434 PolarHBondContact O-N 2.89Å
431	A	98.1	Very high	96.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-46.8	175.8	0	0	0	0	0	111.9	A427 L428 S433 H434 T435 M559 Y560 L563	A427-A431 PolarHBondContact O-N 3.47Å; L428-A431 PolarHBondContact O-N 3.29Å; A431-S433 PolarHBondContact O-N 3.11Å; A431-H434 PolarHBondContact O-N 2.88Å; A431-T435 PolarHBondContact O-N 3.41Å; A431-T435 PolarHBondContact O-OG1 3.18Å; A431-T435 VanDerWaalsContact O-OG1 3.14Å; A431-M559 HydrophobicContact CB-CB 3.87Å; A431-Y560 HydrophobicContact CB-CD1 3.97Å; A431-Y560 HydrophobicContact CB-CD2 4.29Å; A431-Y560 HydrophobicContact CB-CE1 3.72Å; A431-Y560 HydrophobicContact CB-CE2 4.06Å; A431-Y560 HydrophobicContact CB-CG 4.26Å; A431-Y560 PolarHBondContact O-OH 3.15Å; A431-L563 HydrophobicContact CB-CD1 4.12Å
432	I	98	Very high	96.5	Very high	18 Å²	18	57.1 Å²	57.1	9%	0.092	29%	0.288	C	S	.	.	H	α-helix	trans	-63.6	-42.6	176.6	-63	170.1	0	0	0	111.5	F410 I413 F417 L428 N429 H434 T435 G436 Y560	F410-I432 HydrophobicContact CB-CG2 4.34Å; F410-I432 HydrophobicContact CD1-CG2 4.44Å; F410-I432 WeakPolarHBondContact O-CG2 3.34Å; I413-I432 HydrophobicContact CG2-CG2 4.42Å; F417-I432 HydrophobicContact CD2-CD1 4.08Å; F417-I432 HydrophobicContact CE2-CD1 3.84Å; L428-I432 HydrophobicContact CD1-CD1 3.98Å; L428-I432 HydrophobicContact CD1-CG1 4.21Å; L428-I432 HydrophobicContact CG-CD1 3.89Å; L428-I432 HydrophobicContact CG-CG1 4.48Å; L428-I432 WeakPolarHBondContact O-CG1 3.33Å; L428-I432 PolarHBondContact O-N 3.5Å; N429-I432 PolarHBondContact O-N 3.01Å; I432-H434 VanDerWaalsContact C-N 3.3Å; I432-H434 PolarHBondContact O-N 2.99Å; I432-T435 WeakPolarHBondContact O-CB 3.4Å; I432-T435 PolarHBondContact O-N 3.46Å; I432-G436 PolarHBondContact O-N 2.99Å; I432-G436 VanDerWaalsContact O-N 3.08Å; I432-Y560 VanDerWaalsContact CA-OH 3.29Å; I432-Y560 WeakPolarHBondContact CA-OH 3.41Å; I432-Y560 HydrophobicContact CG1-CE1 4.1Å; I432-Y560 PolarHBondContact N-OH 3.16Å
433	S	97.9	Very high	96.8	Very high	21 Å²	21	52.1 Å²	52.1	15%	0.147	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-42.4	175.6	-167.8	0	0	0	0	111.4	S414 N429 N430 A431 G436 R437	S414-S433 WeakPolarHBondContact OG-CB 3.46Å; N429-S433 WeakPolarHBondContact O-CB 3.43Å; N429-S433 PolarHBondContact O-N 3.03Å; N430-S433 PolarHBondContact O-N 2.94Å; A431-S433 PolarHBondContact O-N 3.11Å; S433-G436 WeakPolarHBondContact O-CA 3.49Å; S433-G436 PolarHBondContact O-N 3.47Å; S433-G436 VanDerWaalsContact O-N 3.15Å; S433-R437 PolarHBondContact O-N 2.88Å; S433-R437 VanDerWaalsContact O-N 3.13Å
434	H	98	Very high	97	Very high	70 Å²	70	45.5 Å²	45.5	32%	0.324	23%	0.231	S	C	.	.	H	α-helix	trans	-65.4	-38.9	177.4	-167.2	89.9	0	0	0	112.4	N430 A431 I432 G436 R437 T438 M559	N430-H434 WeakPolarHBondContact O-CB 3.16Å; N430-H434 PolarHBondContact O-N 2.89Å; A431-H434 PolarHBondContact O-N 2.88Å; I432-H434 VanDerWaalsContact C-N 3.3Å; I432-H434 PolarHBondContact O-N 2.99Å; H434-G436 PolarHBondContact O-N 3.34Å; H434-R437 PolarHBondContact O-N 3.19Å; H434-T438 WeakPolarHBondContact O-CB 3.38Å; H434-T438 PolarHBondContact O-N 3.11Å; H434-T438 PolarHBondContact O-OG1 3.41Å; H434-M559 HydrophobicContact CB-CE 3.76Å; H434-M559 HydrophobicContact CB-SD 3.32Å; H434-M559 WeakPolarHBondContact CB-SD 3.49Å; H434-M559 PolarHBondContact CD2-SD 3.01Å
435	T	98.6	Very high	97.3	Very high	13 Å²	13	42.8 Å²	42.8	8%	0.08	22%	0.22	C	C	.	.	H	α-helix	trans	-55.5	-43.2	170.5	-61.4	0	0	0	0	111.3	F410 A431 I432 R437 T438 Y439 T556 Y560	F410-T435 HydrophobicContact CD1-CG2 4.39Å; F410-T435 HydrophobicContact CD2-CG2 3.85Å; F410-T435 HydrophobicContact CE1-CG2 4.4Å; F410-T435 HydrophobicContact CE2-CG2 3.84Å; F410-T435 HydrophobicContact CG-CG2 4.13Å; F410-T435 HydrophobicContact CZ-CG2 4.13Å; A431-T435 PolarHBondContact O-N 3.41Å; A431-T435 PolarHBondContact O-OG1 3.18Å; A431-T435 VanDerWaalsContact O-OG1 3.14Å; I432-T435 WeakPolarHBondContact O-CB 3.4Å; I432-T435 PolarHBondContact O-N 3.46Å; T435-R437 PolarHBondContact O-N 2.86Å; T435-T438 WeakPolarHBondContact O-CB 3.38Å; T435-T438 PolarHBondContact O-N 3.08Å; T435-Y439 HydrophobicContact CG2-CD2 3.91Å; T435-Y439 HydrophobicContact CG2-CE2 3.84Å; T435-Y439 WeakPolarHBondContact O-CD2 3.1Å; T435-Y439 PolarHBondContact O-N 3.25Å; T435-Y439 VanDerWaalsContact O-N 3.1Å; T435-T556 HydrophobicContact CG2-CG2 4.35Å; T435-T556 WeakPolarHBondContact OG1-CG2 3.39Å; T435-Y560 WeakPolarHBondContact OG1-CE2 3.46Å; T435-Y560 PolarHBondContact OG1-OH 3.18Å
436	G	98.4	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.3	-51.5	174.3	0	0	0	0	0	113.5	G407 I432 S433 H434 T438 Y439 E440	G407-G436 WeakPolarHBondContact CA-O 3.32Å; G407-G436 VanDerWaalsContact O-CA 3.24Å; G407-G436 WeakPolarHBondContact O-CA 3.15Å; I432-G436 PolarHBondContact O-N 2.99Å; I432-G436 VanDerWaalsContact O-N 3.08Å; S433-G436 WeakPolarHBondContact O-CA 3.49Å; S433-G436 PolarHBondContact O-N 3.47Å; S433-G436 VanDerWaalsContact O-N 3.15Å; H434-G436 PolarHBondContact O-N 3.34Å; G436-T438 VanDerWaalsContact C-N 3.29Å; G436-T438 PolarHBondContact O-N 3.39Å; G436-Y439 PolarHBondContact O-N 2.76Å; G436-E440 PolarHBondContact O-N 3.39Å; G436-E440 VanDerWaalsContact O-N 3.15Å
437	R	98.4	Very high	97.6	Very high	153 Å²	153	38 Å²	38	58%	0.577	19%	0.192	S	C	*	.	H	α-helix	trans	-63.7	-33.7	177.4	-64.3	177.6	-172.9	166.7	4.1	112.9	S433 H434 T435 E440 N441	S433-R437 PolarHBondContact O-N 2.88Å; S433-R437 VanDerWaalsContact O-N 3.13Å; H434-R437 PolarHBondContact O-N 3.19Å; T435-R437 PolarHBondContact O-N 2.86Å; R437-E440 PolarHBondContact O-N 3.48Å; R437-N441 WeakPolarHBondContact O-CB 3.36Å; R437-N441 PolarHBondContact O-N 3.03Å
438	T	98.6	Very high	97.7	Very high	5 Å²	5	40 Å²	40	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-46.8	177.3	-55.6	0	0	0	0	110.6	H434 T435 G436 N441 I442 Q552 T556	H434-T438 WeakPolarHBondContact O-CB 3.38Å; H434-T438 PolarHBondContact O-N 3.11Å; H434-T438 PolarHBondContact O-OG1 3.41Å; T435-T438 WeakPolarHBondContact O-CB 3.38Å; T435-T438 PolarHBondContact O-N 3.08Å; G436-T438 VanDerWaalsContact C-N 3.29Å; G436-T438 PolarHBondContact O-N 3.39Å; T438-N441 PolarHBondContact O-N 3.04Å; T438-I442 HydrophobicContact CG2-CD1 4.13Å; T438-I442 WeakPolarHBondContact O-CG1 3.43Å; T438-I442 PolarHBondContact O-N 3.04Å; T438-Q552 HydrophobicContact CG2-CB 3.98Å; T438-T556 WeakPolarHBondContact CB-OG1 3.4Å; T438-T556 HydrophobicContact CG2-CG2 4.42Å; T438-T556 VanDerWaalsContact CG2-OG1 3.24Å; T438-T556 WeakPolarHBondContact CG2-OG1 3.03Å; T438-T556 PolarHBondContact OG1-OG1 3.35Å
439	Y	98.5	Very high	97.7	Very high	57 Å²	57	37.2 Å²	37.2	22%	0.224	18%	0.177	C	C	.	.	H	α-helix	trans	-67.8	-36.8	178.1	-83.6	-72	0	0	0	112.6	F403 L406 F410 T435 G436 N441 I442 G443 L553	F403-Y439 WeakPolarHBondContact CB-O 3.38Å; F403-Y439 AromaticContact CD1-CD1 3.69Å; F403-Y439 HydrophobicContact CD1-CD1 3.69Å; F403-Y439 HydrophobicContact CD1-CE1 4.24Å; F403-Y439 HydrophobicContact CE1-CD1 4.09Å; F403-Y439 HydrophobicContact CE1-CE1 4.2Å; L406-Y439 HydrophobicContact CD2-CD1 3.73Å; L406-Y439 HydrophobicContact CD2-CD2 4.26Å; L406-Y439 HydrophobicContact CD2-CE1 3.67Å; L406-Y439 HydrophobicContact CD2-CE2 4.24Å; L406-Y439 HydrophobicContact CD2-CG 4.01Å; L406-Y439 HydrophobicContact CG-CD1 4.48Å; L406-Y439 HydrophobicContact CG-CD2 4.45Å; L406-Y439 HydrophobicContact CG-CG 4.3Å; F410-Y439 AromaticContact CD2-CD2 3.97Å; F410-Y439 HydrophobicContact CD2-CD2 3.97Å; F410-Y439 HydrophobicContact CD2-CE2 4.4Å; F410-Y439 AromaticContact CE2-CD2 3.64Å; F410-Y439 HydrophobicContact CE2-CD2 3.64Å; F410-Y439 AromaticContact CE2-CE2 3.64Å; F410-Y439 HydrophobicContact CE2-CE2 3.64Å; F410-Y439 HydrophobicContact CZ-CE2 4.38Å; T435-Y439 HydrophobicContact CG2-CD2 3.91Å; T435-Y439 HydrophobicContact CG2-CE2 3.84Å; T435-Y439 WeakPolarHBondContact O-CD2 3.1Å; T435-Y439 PolarHBondContact O-N 3.25Å; T435-Y439 VanDerWaalsContact O-N 3.1Å; G436-Y439 PolarHBondContact O-N 2.76Å; Y439-N441 VanDerWaalsContact C-N 3.34Å; Y439-N441 PolarHBondContact O-N 3.3Å; Y439-I442 HydrophobicContact CD1-CD1 4.32Å; Y439-I442 PolarHBondContact O-N 3.2Å; Y439-G443 PolarHBondContact O-N 2.85Å; Y439-L553 HydrophobicContact CE1-CD2 4.4Å
440	E	97.9	Very high	97.8	Very high	55 Å²	55	37 Å²	37	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-58.5	-46.4	170.6	-72.2	173.5	179.6	0	0	111.8	N408 Q411 G436 R437 I442 G443 E444	N408-E440 PolarHBondContact OD1-OE1 3.39Å; Q411-E440 PolarHBondContact NE2-OE1 2.99Å; Q411-E440 PolarHBondContact NE2-OE2 2.87Å; G436-E440 PolarHBondContact O-N 3.39Å; G436-E440 VanDerWaalsContact O-N 3.15Å; R437-E440 PolarHBondContact O-N 3.48Å; E440-I442 PolarHBondContact O-N 2.97Å; E440-G443 WeakPolarHBondContact O-CA 3.46Å; E440-G443 PolarHBondContact O-N 3.39Å; E440-G443 VanDerWaalsContact O-N 3.09Å; E440-E444 PolarHBondContact O-N 2.77Å; E440-E444 VanDerWaalsContact O-N 3.08Å
441	N	98.1	Very high	97.7	Very high	70 Å²	70	36 Å²	36	37%	0.374	17%	0.167	S	C	.	.	H	α-helix	trans	-61.9	-42.7	176.9	-173.3	30.3	0	0	0	112.1	R437 T438 Y439 G443 E444 M445 Q552	R437-N441 WeakPolarHBondContact O-CB 3.36Å; R437-N441 PolarHBondContact O-N 3.03Å; T438-N441 PolarHBondContact O-N 3.04Å; Y439-N441 VanDerWaalsContact C-N 3.34Å; Y439-N441 PolarHBondContact O-N 3.3Å; N441-G443 PolarHBondContact O-N 3.24Å; N441-E444 PolarHBondContact O-N 2.94Å; N441-E444 VanDerWaalsContact O-N 3.13Å; N441-M445 WeakPolarHBondContact O-CG 3.48Å; N441-M445 PolarHBondContact O-N 3.48Å; N441-Q552 PolarHBondContact ND2-OE1 3.48Å; N441-Q552 VanDerWaalsContact ND2-OE1 3.1Å
442	I	98.3	Very high	97.6	Very high	2 Å²	2	40 Å²	40	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-40.7	173.4	-70.3	167	0	0	0	110.5	F403 T438 Y439 E440 E444 M445 F446 V549 Q552 L553	F403-I442 HydrophobicContact CD1-CG2 4.19Å; F403-I442 HydrophobicContact CD2-CG2 4.26Å; F403-I442 HydrophobicContact CE1-CG2 4.15Å; F403-I442 HydrophobicContact CE2-CG2 4.27Å; F403-I442 HydrophobicContact CG-CG2 4.23Å; F403-I442 HydrophobicContact CZ-CG2 4.2Å; T438-I442 HydrophobicContact CG2-CD1 4.13Å; T438-I442 WeakPolarHBondContact O-CG1 3.43Å; T438-I442 PolarHBondContact O-N 3.04Å; Y439-I442 HydrophobicContact CD1-CD1 4.32Å; Y439-I442 PolarHBondContact O-N 3.2Å; E440-I442 PolarHBondContact O-N 2.97Å; I442-E444 PolarHBondContact O-N 3.39Å; I442-M445 WeakPolarHBondContact O-CB 3.46Å; I442-M445 PolarHBondContact O-N 2.92Å; I442-F446 HydrophobicContact CG2-CD2 3.85Å; I442-F446 HydrophobicContact CG2-CE2 3.76Å; I442-F446 VanDerWaalsContact O-CD2 3.32Å; I442-F446 WeakPolarHBondContact O-CD2 3.39Å; I442-F446 PolarHBondContact O-N 3.39Å; I442-V549 HydrophobicContact CD1-CG1 4.2Å; I442-V549 HydrophobicContact CG1-CG1 4.4Å; I442-V549 HydrophobicContact CG2-CG1 4.33Å; I442-Q552 HydrophobicContact CD1-CB 4.38Å; I442-Q552 HydrophobicContact CG1-CB 4.3Å; I442-L553 HydrophobicContact CD1-CD2 3.7Å; I442-L553 HydrophobicContact CD1-CG 4.06Å
443	G	97.9	Very high	97.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.1	-43.7	174.3	0	0	0	0	0	113.4	Y439 E440 N441 F446 A447	Y439-G443 PolarHBondContact O-N 2.85Å; E440-G443 WeakPolarHBondContact O-CA 3.46Å; E440-G443 PolarHBondContact O-N 3.39Å; E440-G443 VanDerWaalsContact O-N 3.09Å; N441-G443 PolarHBondContact O-N 3.24Å; G443-F446 PolarHBondContact O-N 3.05Å; G443-A447 PolarHBondContact O-N 3.46Å; G443-A447 VanDerWaalsContact O-N 3.13Å
444	E	97.8	Very high	97.5	Very high	58 Å²	58	38.4 Å²	38.4	27%	0.271	17%	0.173	S	C	.	.	H	α-helix	trans	-65.4	-40.7	173.8	-62.3	-55.2	144.8	0	0	112	R400 Q404 E440 N441 I442 F446 A447 E448	R400-E444 IonicContact CZ-OE1 2.8Å; R400-E444 IonicContact CZ-OE2 3.92Å; R400-E444 VanDerWaalsContact NE-CD 3.31Å; R400-E444 IonicContact NE-OE1 3.92Å; R400-E444 PolarHBondContact NE-OE1 3.5Å; R400-E444 IonicContact NE-OE2 2.76Å; R400-E444 PolarHBondContact NE-OE2 3.42Å; R400-E444 VanDerWaalsContact NE-OE2 3.15Å; R400-E444 IonicContact NH1-OE2 2.78Å; R400-E444 IonicContact NH2-OE1 3.7Å; R400-E444 PolarHBondContact NH2-OE1 2.87Å; R400-E444 IonicContact NH2-OE2 3.16Å; R400-E444 PolarHBondContact NH2-OE2 2.97Å; Q404-E444 PolarHBondContact NE2-OE1 2.87Å; E440-E444 PolarHBondContact O-N 2.77Å; E440-E444 VanDerWaalsContact O-N 3.08Å; N441-E444 PolarHBondContact O-N 2.94Å; N441-E444 VanDerWaalsContact O-N 3.13Å; I442-E444 PolarHBondContact O-N 3.39Å; E444-F446 VanDerWaalsContact C-N 3.29Å; E444-F446 PolarHBondContact O-N 3.17Å; E444-A447 WeakPolarHBondContact O-CB 3.3Å; E444-A447 PolarHBondContact O-N 3.34Å; E444-A447 VanDerWaalsContact O-N 3.08Å; E444-E448 PolarHBondContact O-N 2.97Å
445	M	97.9	Very high	97.4	Very high	26 Å²	26	37.8 Å²	37.8	13%	0.128	17%	0.169	C	C	.	.	H	α-helix	trans	-58.1	-41	174.6	-66.8	171.1	58.7	0	0	111.7	N441 I442 E448 Q449 F545 R548 V549 Q552	N441-M445 WeakPolarHBondContact O-CG 3.48Å; N441-M445 PolarHBondContact O-N 3.48Å; I442-M445 WeakPolarHBondContact O-CB 3.46Å; I442-M445 PolarHBondContact O-N 2.92Å; M445-E448 PolarHBondContact O-N 2.62Å; M445-Q449 PolarHBondContact O-N 3.41Å; M445-F545 HydrophobicContact CB-CE2 4.02Å; M445-R548 HydrophobicContact CE-CB 3.57Å; M445-V549 HydrophobicContact CE-CG2 3.82Å; M445-Q552 HydrophobicContact SD-CG 3.92Å
446	F	97.5	Very high	97.3	Very high	16 Å²	16	41.7 Å²	41.7	7%	0.07	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-42.4	173.9	-89.8	-80.7	0	0	0	112.1	H395 F399 F403 I442 G443 E444 E448 Q449 P450 F545	H395-F446 WeakPolarHBondContact CB-O 3.47Å; H395-F446 AromaticContact CD2-CD1 3.73Å; H395-F446 PolarHBondContact CD2-O 3.4Å; H395-F446 AromaticContact NE2-CD1 3.89Å; F399-F446 HydrophobicContact CB-CB 4.07Å; F399-F446 HydrophobicContact CB-CD1 4.12Å; F399-F446 HydrophobicContact CB-CG 4.07Å; F399-F446 AromaticContact CD2-CD1 3.78Å; F399-F446 HydrophobicContact CD2-CD1 3.78Å; F399-F446 HydrophobicContact CD2-CE1 4.21Å; F399-F446 HydrophobicContact CG-CD1 4.27Å; F403-F446 AromaticContact CD2-CD2 3.73Å; F403-F446 HydrophobicContact CD2-CD2 3.73Å; F403-F446 HydrophobicContact CD2-CE2 4.01Å; F403-F446 AromaticContact CE2-CD2 3.4Å; F403-F446 HydrophobicContact CE2-CD2 3.4Å; F403-F446 AromaticContact CE2-CE2 3.21Å; F403-F446 HydrophobicContact CE2-CE2 3.21Å; F403-F446 HydrophobicContact CE2-CG 4.26Å; F403-F446 AromaticContact CE2-CZ 3.94Å; F403-F446 HydrophobicContact CE2-CZ 3.94Å; F403-F446 HydrophobicContact CZ-CD2 4.28Å; F403-F446 AromaticContact CZ-CE2 3.69Å; F403-F446 HydrophobicContact CZ-CE2 3.69Å; F403-F446 HydrophobicContact CZ-CZ 4.33Å; I442-F446 HydrophobicContact CG2-CD2 3.85Å; I442-F446 HydrophobicContact CG2-CE2 3.76Å; I442-F446 VanDerWaalsContact O-CD2 3.32Å; I442-F446 WeakPolarHBondContact O-CD2 3.39Å; I442-F446 PolarHBondContact O-N 3.39Å; G443-F446 PolarHBondContact O-N 3.05Å; E444-F446 VanDerWaalsContact C-N 3.29Å; E444-F446 PolarHBondContact O-N 3.17Å; F446-E448 VanDerWaalsContact C-N 3.26Å; F446-E448 PolarHBondContact O-N 3.01Å; F446-Q449 PolarHBondContact O-N 3.37Å; F446-P450 WeakPolarHBondContact O-CD 3.35Å; F446-F545 HydrophobicContact CD1-CE1 4.05Å; F446-F545 AromaticContact CD1-CZ 3.65Å; F446-F545 HydrophobicContact CD1-CZ 3.65Å; F446-F545 AromaticContact CD2-CZ 3.81Å; F446-F545 HydrophobicContact CD2-CZ 3.81Å; F446-F545 AromaticContact CE1-CE1 3.6Å; F446-F545 HydrophobicContact CE1-CE1 3.6Å; F446-F545 AromaticContact CE1-CZ 3.63Å; F446-F545 HydrophobicContact CE1-CZ 3.63Å; F446-F545 HydrophobicContact CE2-CE1 4.2Å; F446-F545 AromaticContact CE2-CZ 3.77Å; F446-F545 HydrophobicContact CE2-CZ 3.77Å; F446-F545 AromaticContact CG-CZ 3.74Å; F446-F545 HydrophobicContact CG-CZ 3.74Å; F446-F545 AromaticContact CZ-CE1 3.68Å; F446-F545 HydrophobicContact CZ-CE1 3.68Å; F446-F545 AromaticContact CZ-CZ 3.68Å; F446-F545 HydrophobicContact CZ-CZ 3.68Å
447	A	97	Very high	97.3	Very high	14 Å²	14	42.2 Å²	42.2	12%	0.116	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-34.2	177.9	0	0	0	0	0	112.1	H395 L396 R400 G443 E444	H395-A447 WeakPolarHBondContact O-CA 3.44Å; L396-A447 VanDerWaalsContact CD2-O 3.24Å; L396-A447 WeakPolarHBondContact CD2-O 3.32Å; R400-A447 HydrophobicContact CB-CB 4.24Å; R400-A447 HydrophobicContact CG-CB 4.24Å; G443-A447 PolarHBondContact O-N 3.46Å; G443-A447 VanDerWaalsContact O-N 3.13Å; E444-A447 WeakPolarHBondContact O-CB 3.3Å; E444-A447 PolarHBondContact O-N 3.34Å; E444-A447 VanDerWaalsContact O-N 3.08Å
448	E	96.4	Very high	97.2	Very high	96 Å²	96	35.9 Å²	35.9	45%	0.449	17%	0.167	S	C	.	.	H	α-helix	trans	-82.7	-15.6	177.5	-75.5	-162.2	-165.1	0	0	114.6	E444 M445 F446 K451 Y452	E444-E448 PolarHBondContact O-N 2.97Å; M445-E448 PolarHBondContact O-N 2.62Å; F446-E448 VanDerWaalsContact C-N 3.26Å; F446-E448 PolarHBondContact O-N 3.01Å; E448-K451 WeakPolarHBondContact O-CE 3.29Å; E448-K451 WeakPolarHBondContact O-CG 3.37Å; E448-K451 WeakPolarHBondContact OE2-CE 3.47Å; E448-K451 IonicContact OE2-NZ 2.73Å; E448-K451 PolarHBondContact OE2-NZ 2.85Å; E448-Y452 WeakPolarHBondContact O-CE2 3.44Å
449	Q	97.4	Very high	97.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-62.7	-42	-173.2	-175.5	57.1	21.7	0	0	114.6	M445 F446 K451 Y452 D453 E541 F545	M445-Q449 PolarHBondContact O-N 3.41Å; F446-Q449 PolarHBondContact O-N 3.37Å; Q449-K451 PolarHBondContact O-N 2.95Å; Q449-Y452 PolarHBondContact O-N 2.81Å; Q449-D453 PolarHBondContact NE2-OD2 2.87Å; Q449-E541 PolarHBondContact NE2-O 3.4Å; Q449-F545 HydrophobicContact CB-CD2 3.99Å; Q449-F545 HydrophobicContact CB-CE2 3.96Å; Q449-F545 HydrophobicContact CG-CB 4.33Å; Q449-F545 HydrophobicContact CG-CD1 4.39Å; Q449-F545 HydrophobicContact CG-CD2 3.79Å; Q449-F545 HydrophobicContact CG-CE2 4.19Å; Q449-F545 HydrophobicContact CG-CG 3.9Å
450	P	97.3	Very high	97.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-54.5	-27.4	-174.4	-32.2	38.2	0	0	0	116.9	V392 H395 F446 Y452 D453 L454 F455	V392-P450 HydrophobicContact CG1-CB 4.43Å; V392-P450 HydrophobicContact CG2-CB 4.21Å; H395-P450 HydrophobicContact CB-CG 3.47Å; H395-P450 VanDerWaalsContact CB-CG 3.47Å; F446-P450 WeakPolarHBondContact O-CD 3.35Å; P450-Y452 PolarHBondContact O-N 2.9Å; P450-D453 WeakPolarHBondContact CA-OD1 3.46Å; P450-L454 HydrophobicContact CB-CB 4.38Å; P450-L454 HydrophobicContact CB-CD1 4.48Å; P450-L454 HydrophobicContact CG-CD1 4.44Å; P450-L454 PolarHBondContact O-N 2.93Å; P450-F455 HydrophobicContact CB-CD1 4.23Å; P450-F455 HydrophobicContact CB-CE1 3.88Å; P450-F455 HydrophobicContact CB-CZ 4.05Å; P450-F455 WeakPolarHBondContact O-CB 3.19Å; P450-F455 VanDerWaalsContact O-CG 3.32Å; P450-F455 WeakPolarHBondContact O-CG 3.26Å; P450-F455 PolarHBondContact O-N 3.06Å
451	K	94.3	Very high	97.1	Very high	81 Å²	81	32.6 Å²	32.6	35%	0.352	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-65.6	-25.7	176.7	45.3	165.3	171	177.1	0	113.2	E448 Q449 F455	E448-K451 WeakPolarHBondContact O-CE 3.29Å; E448-K451 WeakPolarHBondContact O-CG 3.37Å; E448-K451 WeakPolarHBondContact OE2-CE 3.47Å; E448-K451 IonicContact OE2-NZ 2.73Å; E448-K451 PolarHBondContact OE2-NZ 2.85Å; Q449-K451 PolarHBondContact O-N 2.95Å; K451-F455 VanDerWaalsContact CA-CD2 3.49Å; K451-F455 HydrophobicContact CB-CD2 4.06Å; K451-F455 HydrophobicContact CB-CE2 4.19Å
452	Y	95.6	Very high	97.1	Very high	82 Å²	82	30.8 Å²	30.8	32%	0.322	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-28.5	-177.8	-56.3	-66.4	0	0	0	112.5	E448 Q449 P450 Q456	E448-Y452 WeakPolarHBondContact O-CE2 3.44Å; Q449-Y452 PolarHBondContact O-N 2.81Å; P450-Y452 PolarHBondContact O-N 2.9Å; Y452-Q456 PolarHBondContact O-NE2 3.49Å
453	D	96.6	Very high	97	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-66.5	-171.7	51.6	18.3	0	0	0	114.4	Q449 P450 F455 Q456 M457 Y538 E541 Q542	Q449-D453 PolarHBondContact NE2-OD2 2.87Å; P450-D453 WeakPolarHBondContact CA-OD1 3.46Å; D453-F455 VanDerWaalsContact C-N 3.35Å; D453-F455 PolarHBondContact O-N 2.88Å; D453-Q456 PolarHBondContact O-N 2.79Å; D453-Q456 VanDerWaalsContact O-N 3.15Å; D453-M457 PolarHBondContact O-N 3.4Å; D453-M457 VanDerWaalsContact O-N 3.08Å; D453-Y538 HydrophobicContact CB-CD2 3.88Å; D453-Y538 HydrophobicContact CB-CE2 4.37Å; D453-E541 HydrophobicContact CB-CB 3.91Å; D453-Q542 PolarHBondContact OD2-NE2 3.49Å
454	L	97.3	Very high	97	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-65	-36.1	-169.4	-70.3	171.8	0	0	0	112.3	A388 L391 V392 P450 M457 L458 Y538	A388-L454 HydrophobicContact CB-CD2 4.39Å; L391-L454 HydrophobicContact CB-CD1 4.28Å; L391-L454 HydrophobicContact CD2-CD1 4.04Å; L391-L454 HydrophobicContact CD2-CD2 4.13Å; L391-L454 HydrophobicContact CG-CD1 3.94Å; V392-L454 HydrophobicContact CG2-CB 3.67Å; V392-L454 HydrophobicContact CG2-CD1 3.83Å; V392-L454 HydrophobicContact CG2-CG 4.36Å; P450-L454 HydrophobicContact CB-CB 4.38Å; P450-L454 HydrophobicContact CB-CD1 4.48Å; P450-L454 HydrophobicContact CG-CD1 4.44Å; P450-L454 PolarHBondContact O-N 2.93Å; L454-M457 PolarHBondContact O-N 3.07Å; L454-L458 WeakPolarHBondContact O-CB 3.49Å; L454-L458 VanDerWaalsContact O-CG 3.25Å; L454-L458 WeakPolarHBondContact O-CG 3.43Å; L454-L458 PolarHBondContact O-N 3.32Å; L454-Y538 HydrophobicContact CD2-CD2 4.5Å; L454-Y538 HydrophobicContact CD2-CE2 3.78Å; L454-Y538 HydrophobicContact CG-CE2 4.4Å
455	F	96.4	Very high	97	Very high	57 Å²	57	30.9 Å²	30.9	25%	0.25	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-41.6	175.8	-69.8	-9	0	0	0	112	V392 P450 K451 D453 L458 D459	V392-F455 HydrophobicContact CG1-CE1 3.63Å; V392-F455 HydrophobicContact CG1-CZ 4.37Å; V392-F455 HydrophobicContact CG2-CD1 4.22Å; V392-F455 HydrophobicContact CG2-CE1 4.04Å; P450-F455 HydrophobicContact CB-CD1 4.23Å; P450-F455 HydrophobicContact CB-CE1 3.88Å; P450-F455 HydrophobicContact CB-CZ 4.05Å; P450-F455 WeakPolarHBondContact O-CB 3.19Å; P450-F455 VanDerWaalsContact O-CG 3.32Å; P450-F455 WeakPolarHBondContact O-CG 3.26Å; P450-F455 PolarHBondContact O-N 3.06Å; K451-F455 VanDerWaalsContact CA-CD2 3.49Å; K451-F455 HydrophobicContact CB-CD2 4.06Å; K451-F455 HydrophobicContact CB-CE2 4.19Å; D453-F455 VanDerWaalsContact C-N 3.35Å; D453-F455 PolarHBondContact O-N 2.88Å; F455-L458 PolarHBondContact O-N 2.7Å; F455-D459 WeakPolarHBondContact O-CB 3.26Å; F455-D459 PolarHBondContact O-N 3.04Å
456	Q	95.5	Very high	96.9	Very high	95 Å²	95	29.9 Å²	29.9	44%	0.444	14%	0.143	S	C	.	.	H	α-helix	trans	-66	-41.5	177.8	-57.6	-172.3	38.8	0	0	111.2	Y452 D453 D459 K460	Y452-Q456 PolarHBondContact O-NE2 3.49Å; D453-Q456 PolarHBondContact O-N 2.79Å; D453-Q456 VanDerWaalsContact O-N 3.15Å; Q456-D459 PolarHBondContact O-N 2.94Å; Q456-K460 PolarHBondContact O-N 3.36Å
457	M	97.7	Very high	96.9	Very high	11 Å²	11	29.2 Å²	29.2	5%	0.054	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-50.8	173.9	-179.1	-179	-71.1	0	0	111.3	D453 L454 D459 K460 L461 M534 M535 Y538	D453-M457 PolarHBondContact O-N 3.4Å; D453-M457 VanDerWaalsContact O-N 3.08Å; L454-M457 PolarHBondContact O-N 3.07Å; M457-D459 VanDerWaalsContact C-N 3.29Å; M457-D459 PolarHBondContact O-N 3.05Å; M457-K460 PolarHBondContact O-N 2.95Å; M457-L461 HydrophobicContact CG-CD1 3.94Å; M457-L461 HydrophobicContact CG-CG 4.35Å; M457-L461 VanDerWaalsContact O-CG 3.29Å; M457-L461 WeakPolarHBondContact O-CG 3.4Å; M457-L461 PolarHBondContact O-N 2.99Å; M457-M534 HydrophobicContact CB-CG 4.35Å; M457-M534 HydrophobicContact CB-SD 4.41Å; M457-M534 HydrophobicContact CG-CG 4.19Å; M457-M534 HydrophobicContact CG-SD 3.8Å; M457-M535 HydrophobicContact CE-SD 4.25Å; M457-Y538 HydrophobicContact CE-CD1 3.96Å; M457-Y538 HydrophobicContact CE-CD2 3.46Å; M457-Y538 VanDerWaalsContact CE-CD2 3.46Å; M457-Y538 HydrophobicContact CE-CE1 4.49Å; M457-Y538 HydrophobicContact CE-CE2 4.08Å; M457-Y538 HydrophobicContact CE-CG 3.41Å; M457-Y538 VanDerWaalsContact CE-CG 3.41Å
458	L	97.9	Very high	96.9	Very high	21 Å²	21	28.9 Å²	28.9	11%	0.11	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-37.1	179.2	-74.7	169.1	0	0	0	112.6	T385 A388 S389 V392 L454 F455 L461 S462	T385-L458 HydrophobicContact CG2-CD2 3.92Å; A388-L458 HydrophobicContact CB-CD2 3.75Å; A388-L458 HydrophobicContact CB-CG 4.16Å; S389-L458 WeakPolarHBondContact OG-CD2 2.98Å; V392-L458 HydrophobicContact CG2-CD1 3.89Å; L454-L458 WeakPolarHBondContact O-CB 3.49Å; L454-L458 VanDerWaalsContact O-CG 3.25Å; L454-L458 WeakPolarHBondContact O-CG 3.43Å; L454-L458 PolarHBondContact O-N 3.32Å; F455-L458 PolarHBondContact O-N 2.7Å; L458-L461 PolarHBondContact O-N 3.4Å; L458-S462 WeakPolarHBondContact O-CB 3.13Å; L458-S462 PolarHBondContact O-N 3.45Å
459	D	96.9	Very high	96.9	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.032	14%	0.136	C	C	.	.	H	α-helix	trans	-67.6	-40.3	176.6	-70.6	-27.2	0	0	0	111.5	R297 R298 L301 F455 Q456 M457 S462 L463	R297-D459 IonicContact CZ-OD2 3.89Å; R297-D459 IonicContact NE-OD2 3.6Å; R297-D459 PolarHBondContact NE-OD2 3.34Å; R297-D459 IonicContact NH2-OD2 2.7Å; R297-D459 PolarHBondContact NH2-OD2 3.15Å; R298-D459 HydrophobicContact CG-CB 4.1Å; R298-D459 WeakPolarHBondContact CG-OD1 3.44Å; R298-D459 IonicContact CZ-OD1 2.7Å; R298-D459 IonicContact NE-OD1 2.98Å; R298-D459 PolarHBondContact NE-OD1 3.38Å; R298-D459 IonicContact NH2-OD1 2.65Å; R298-D459 PolarHBondContact NH2-OD1 2.94Å; L301-D459 VanDerWaalsContact CD1-C 3.46Å; L301-D459 HydrophobicContact CD1-CB 3.81Å; L301-D459 WeakPolarHBondContact CD1-O 3.46Å; F455-D459 WeakPolarHBondContact O-CB 3.26Å; F455-D459 PolarHBondContact O-N 3.04Å; Q456-D459 PolarHBondContact O-N 2.94Å; M457-D459 VanDerWaalsContact C-N 3.29Å; M457-D459 PolarHBondContact O-N 3.05Å; D459-S462 PolarHBondContact O-N 2.97Å; D459-L463 PolarHBondContact O-N 3.35Å
460	K	97.6	Very high	96.9	Very high	41 Å²	41	28.1 Å²	28.1	18%	0.178	14%	0.142	C	C	.	.	H	α-helix	trans	-65.3	-43.8	172.3	-77.3	-72.5	-168.5	179.2	0	112.4	L301 Q456 M457 S462 L463 Y464 D530 M534	L301-K460 HydrophobicContact CD1-CD 4.09Å; L301-K460 HydrophobicContact CD1-CG 4.22Å; L301-K460 HydrophobicContact CD2-CD 3.69Å; L301-K460 HydrophobicContact CD2-CG 4.41Å; Q456-K460 PolarHBondContact O-N 3.36Å; M457-K460 PolarHBondContact O-N 2.95Å; K460-S462 VanDerWaalsContact C-N 3.3Å; K460-S462 PolarHBondContact O-N 2.94Å; K460-L463 WeakPolarHBondContact O-CB 3.46Å; K460-L463 PolarHBondContact O-N 3.44Å; K460-Y464 WeakPolarHBondContact O-CD2 3.39Å; K460-Y464 PolarHBondContact O-N 3.27Å; K460-D530 IonicContact NZ-OD1 3.83Å; K460-D530 PolarHBondContact NZ-OD1 3.36Å; K460-M534 HydrophobicContact CB-CG 4.42Å; K460-M534 HydrophobicContact CB-SD 3.83Å
461	L	98	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-40.3	177	-65.9	171.8	0	0	0	111.4	V381 L384 T385 M457 L458 L463 Y464 Q465 F531 M534	V381-L461 HydrophobicContact CG1-CB 4.13Å; V381-L461 HydrophobicContact CG1-CD2 4.08Å; V381-L461 HydrophobicContact CG2-CD2 4.48Å; L384-L461 HydrophobicContact CB-CD1 4.31Å; L384-L461 HydrophobicContact CD2-CD1 3.92Å; L384-L461 HydrophobicContact CD2-CD2 3.86Å; L384-L461 HydrophobicContact CG-CD1 3.75Å; L384-L461 HydrophobicContact CG-CD2 4.48Å; T385-L461 WeakPolarHBondContact OG1-CB 3.32Å; M457-L461 HydrophobicContact CG-CD1 3.94Å; M457-L461 HydrophobicContact CG-CG 4.35Å; M457-L461 VanDerWaalsContact O-CG 3.29Å; M457-L461 WeakPolarHBondContact O-CG 3.4Å; M457-L461 PolarHBondContact O-N 2.99Å; L458-L461 PolarHBondContact O-N 3.4Å; L461-L463 VanDerWaalsContact C-N 3.3Å; L461-L463 PolarHBondContact O-N 2.71Å; L461-Y464 PolarHBondContact O-N 3.26Å; L461-Y464 VanDerWaalsContact O-N 3.16Å; L461-Q465 WeakPolarHBondContact O-CG 3.45Å; L461-Q465 PolarHBondContact O-N 3Å; L461-F531 HydrophobicContact CD2-CE1 4.35Å; L461-F531 HydrophobicContact CD2-CZ 4.3Å; L461-M534 HydrophobicContact CD2-CE 4.42Å; L461-M534 HydrophobicContact CD2-SD 4.36Å; L461-M534 HydrophobicContact CG-SD 4.42Å
462	S	97	Very high	96.9	Very high	33 Å²	33	28.3 Å²	28.3	23%	0.231	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-35.6	175.3	-175.2	0	0	0	0	113	R298 L458 D459 K460 G466	R298-S462 PolarHBondContact NH1-OG 3.29Å; R298-S462 VanDerWaalsContact NH1-OG 3.16Å; L458-S462 WeakPolarHBondContact O-CB 3.13Å; L458-S462 PolarHBondContact O-N 3.45Å; D459-S462 PolarHBondContact O-N 2.97Å; K460-S462 VanDerWaalsContact C-N 3.3Å; K460-S462 PolarHBondContact O-N 2.94Å; S462-G466 PolarHBondContact O-N 3.27Å
463	L	97.6	Very high	96.8	Very high	15 Å²	15	28.3 Å²	28.3	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-47.9	173.2	176.7	71	0	0	0	110.7	P276 L301 D459 K460 L461 G466 L467	P276-L463 HydrophobicContact CB-CD1 3.46Å; P276-L463 VanDerWaalsContact CB-CD1 3.46Å; P276-L463 HydrophobicContact CG-CD1 4.32Å; L301-L463 HydrophobicContact CB-CD2 4.43Å; D459-L463 PolarHBondContact O-N 3.35Å; K460-L463 WeakPolarHBondContact O-CB 3.46Å; K460-L463 PolarHBondContact O-N 3.44Å; L461-L463 VanDerWaalsContact C-N 3.3Å; L461-L463 PolarHBondContact O-N 2.71Å; L463-G466 PolarHBondContact O-N 2.89Å; L463-L467 HydrophobicContact CG-CD1 4.25Å; L463-L467 WeakPolarHBondContact O-CG 3.39Å; L463-L467 PolarHBondContact O-N 2.81Å
464	Y	98.3	Very high	96.7	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-68	-33.4	-179.4	-83.5	-81.9	0	0	0	113.4	M377 K460 L461 G466 L467 L468 F523 Q526 R527 D530 F531	M377-Y464 HydrophobicContact CE-CD1 3.75Å; M377-Y464 HydrophobicContact CE-CE1 4.3Å; M377-Y464 HydrophobicContact CE-CG 4.3Å; K460-Y464 WeakPolarHBondContact O-CD2 3.39Å; K460-Y464 PolarHBondContact O-N 3.27Å; L461-Y464 PolarHBondContact O-N 3.26Å; L461-Y464 VanDerWaalsContact O-N 3.16Å; Y464-G466 VanDerWaalsContact C-N 3.32Å; Y464-G466 PolarHBondContact O-N 3.35Å; Y464-L467 HydrophobicContact CD1-CD1 4.29Å; Y464-L467 HydrophobicContact CE1-CD1 4.26Å; Y464-L467 PolarHBondContact O-N 2.84Å; Y464-L468 VanDerWaalsContact O-CB 3.26Å; Y464-L468 WeakPolarHBondContact O-CB 3.32Å; Y464-L468 WeakPolarHBondContact O-CD1 3.43Å; Y464-L468 WeakPolarHBondContact O-CG 3.47Å; Y464-L468 PolarHBondContact O-N 3.13Å; Y464-F523 AromaticContact CD1-CE2 3.75Å; Y464-F523 HydrophobicContact CD1-CE2 3.75Å; Y464-F523 AromaticContact CD1-CZ 3.88Å; Y464-F523 HydrophobicContact CD1-CZ 3.88Å; Y464-F523 AromaticContact CE1-CE2 3.8Å; Y464-F523 HydrophobicContact CE1-CE2 3.8Å; Y464-F523 HydrophobicContact CE1-CZ 4.03Å; Y464-Q526 PolarHBondContact OH-O 2.85Å; Y464-R527 HydrophobicContact CE1-CB 3.89Å; Y464-R527 HydrophobicContact CE1-CG 4.12Å; Y464-R527 WeakPolarHBondContact OH-CA 3.41Å; Y464-R527 PolarHBondContact OH-N 3.32Å; Y464-D530 HydrophobicContact CE2-CB 3.87Å; Y464-D530 WeakPolarHBondContact OH-CB 3.44Å; Y464-D530 PolarHBondContact OH-OD2 2.94Å; Y464-F531 HydrophobicContact CD1-CE2 4.11Å; Y464-F531 HydrophobicContact CD2-CD2 4.43Å; Y464-F531 AromaticContact CD2-CE2 3.63Å; Y464-F531 HydrophobicContact CD2-CE2 3.63Å; Y464-F531 HydrophobicContact CD2-CZ 4.37Å; Y464-F531 HydrophobicContact CE1-CE2 4.19Å; Y464-F531 HydrophobicContact CE2-CD2 4.09Å; Y464-F531 AromaticContact CE2-CE2 3.71Å; Y464-F531 HydrophobicContact CE2-CE2 3.71Å; Y464-F531 AromaticContact CG-CE2 3.86Å; Y464-F531 HydrophobicContact CG-CE2 3.86Å; Y464-F531 HydrophobicContact CG-CZ 4.46Å
465	Q	96.7	Very high	96.7	Very high	46 Å²	46	28.7 Å²	28.7	22%	0.215	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-44.6	171.2	-70.9	176.8	-43.6	0	0	111.4	V381 L461 L468 A469	V381-Q465 HydrophobicContact CG1-CG 3.58Å; L461-Q465 WeakPolarHBondContact O-CG 3.45Å; L461-Q465 PolarHBondContact O-N 3Å; Q465-L468 PolarHBondContact O-N 3.21Å; Q465-A469 WeakPolarHBondContact O-CB 3.22Å; Q465-A469 PolarHBondContact O-N 3.07Å
466	G	95.8	Very high	96.5	Very high	5 Å²	5	29.9 Å²	29.9	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-63.1	-43.9	176.1	0	0	0	0	0	112.7	H277 S462 L463 Y464 A469 N470	H277-G466 PolarHBondContact NE2-O 3.32Å; S462-G466 PolarHBondContact O-N 3.27Å; L463-G466 PolarHBondContact O-N 2.89Å; Y464-G466 VanDerWaalsContact C-N 3.32Å; Y464-G466 PolarHBondContact O-N 3.35Å; G466-A469 PolarHBondContact O-N 3.44Å; G466-N470 PolarHBondContact O-ND2 2.94Å
467	L	97.4	Very high	96.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-41.9	176.9	-67.5	171.6	0	0	0	112.4	S274 P276 L463 Y464 N470 F471 F523	S274-L467 VanDerWaalsContact O-CD2 3.31Å; S274-L467 WeakPolarHBondContact O-CD2 3.46Å; S274-L467 WeakPolarHBondContact OG-CA 3.32Å; S274-L467 PolarHBondContact OG-O 2.94Å; P276-L467 HydrophobicContact CB-CD2 3.89Å; P276-L467 HydrophobicContact CB-CG 4.33Å; P276-L467 HydrophobicContact CG-CD2 4.43Å; L463-L467 HydrophobicContact CG-CD1 4.25Å; L463-L467 WeakPolarHBondContact O-CG 3.39Å; L463-L467 PolarHBondContact O-N 2.81Å; Y464-L467 HydrophobicContact CD1-CD1 4.29Å; Y464-L467 HydrophobicContact CE1-CD1 4.26Å; Y464-L467 PolarHBondContact O-N 2.84Å; L467-N470 PolarHBondContact O-N 3.22Å; L467-F471 WeakPolarHBondContact O-CD2 3.39Å; L467-F523 HydrophobicContact CB-CD2 4.49Å; L467-F523 HydrophobicContact CB-CE2 4.08Å; L467-F523 HydrophobicContact CD1-CE2 4.4Å
468	L	97.7	Very high	96.2	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-68.7	-35.4	-179.3	-73.1	165.8	0	0	0	112.2	A374 M377 D378 V381 Y464 Q465 N470 F471 P472 F523	A374-L468 HydrophobicContact CB-CD2 4.17Å; M377-L468 HydrophobicContact CB-CD1 4.32Å; M377-L468 HydrophobicContact CB-CD2 4.45Å; M377-L468 HydrophobicContact CE-CD1 4.48Å; M377-L468 HydrophobicContact CG-CD1 3.91Å; M377-L468 HydrophobicContact SD-CD1 4.21Å; M377-L468 HydrophobicContact SD-CD2 4.24Å; D378-L468 HydrophobicContact CB-CB 4.35Å; D378-L468 HydrophobicContact CB-CD1 4.18Å; V381-L468 HydrophobicContact CG2-CD1 4.43Å; Y464-L468 VanDerWaalsContact O-CB 3.26Å; Y464-L468 WeakPolarHBondContact O-CB 3.32Å; Y464-L468 WeakPolarHBondContact O-CD1 3.43Å; Y464-L468 WeakPolarHBondContact O-CG 3.47Å; Y464-L468 PolarHBondContact O-N 3.13Å; Q465-L468 PolarHBondContact O-N 3.21Å; L468-N470 PolarHBondContact O-N 3.06Å; L468-N470 VanDerWaalsContact O-N 3.16Å; L468-F471 HydrophobicContact CD2-CD2 4.46Å; L468-F471 PolarHBondContact O-N 3.27Å; L468-P472 VanDerWaalsContact O-CD 3.27Å; L468-P472 WeakPolarHBondContact O-CD 3.47Å; L468-F523 HydrophobicContact CD2-CE1 4.44Å; L468-F523 HydrophobicContact CD2-CE2 4.33Å; L468-F523 HydrophobicContact CD2-CZ 3.73Å; L468-F523 HydrophobicContact CG-CZ 4.2Å
469	A	96.2	Very high	96	Very high	53 Å²	53	27.2 Å²	27.2	44%	0.438	15%	0.152	S	C	.	.	H	α-helix	trans	-61.2	-22	177	0	0	0	0	0	113.7	Q465 G466	Q465-A469 WeakPolarHBondContact O-CB 3.22Å; Q465-A469 PolarHBondContact O-N 3.07Å; G466-A469 PolarHBondContact O-N 3.44Å
470	N	96.2	Very high	95.9	Very high	27 Å²	27	27.5 Å²	27.5	14%	0.144	16%	0.156	C	C	.	.	H	α-helix	trans	-82.7	-28.6	179.8	-58.6	-30.8	0	0	0	113	S274 V275 H277 G466 L467 L468 D473 I474	S274-N470 WeakPolarHBondContact OG-CB 3.49Å; S274-N470 PolarHBondContact OG-ND2 2.98Å; V275-N470 PolarHBondContact N-ND2 3.18Å; V275-N470 PolarHBondContact O-ND2 3.38Å; H277-N470 PolarHBondContact NE2-OD1 2.87Å; G466-N470 PolarHBondContact O-ND2 2.94Å; L467-N470 PolarHBondContact O-N 3.22Å; L468-N470 PolarHBondContact O-N 3.06Å; L468-N470 VanDerWaalsContact O-N 3.16Å; N470-D473 PolarHBondContact O-N 2.73Å; N470-I474 HydrophobicContact CB-CD1 4.11Å; N470-I474 WeakPolarHBondContact O-CG1 3.25Å; N470-I474 PolarHBondContact O-N 3.46Å
471	F	96.8	Very high	95.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-33.8	-172.6	-78.2	-67.4	0	0	0	115.6	F370 L467 L468 D473 I474 I475 E519 F523	F370-F471 HydrophobicContact CE1-CB 4.27Å; F370-F471 AromaticContact CE1-CD1 3.45Å; F370-F471 HydrophobicContact CE1-CD1 3.45Å; F370-F471 VanDerWaalsContact CE1-CD1 3.45Å; F370-F471 HydrophobicContact CE1-CD2 4.21Å; F370-F471 AromaticContact CE1-CE1 3.72Å; F370-F471 HydrophobicContact CE1-CE1 3.72Å; F370-F471 HydrophobicContact CE1-CE2 4.45Å; F370-F471 AromaticContact CE1-CG 3.72Å; F370-F471 HydrophobicContact CE1-CG 3.72Å; F370-F471 HydrophobicContact CE1-CZ 4.23Å; F370-F471 AromaticContact CZ-CD1 3.89Å; F370-F471 HydrophobicContact CZ-CD1 3.89Å; F370-F471 HydrophobicContact CZ-CD2 4.15Å; F370-F471 AromaticContact CZ-CE1 3.72Å; F370-F471 HydrophobicContact CZ-CE1 3.72Å; F370-F471 HydrophobicContact CZ-CE2 4.01Å; F370-F471 HydrophobicContact CZ-CG 4.1Å; F370-F471 AromaticContact CZ-CZ 3.79Å; F370-F471 HydrophobicContact CZ-CZ 3.79Å; L467-F471 WeakPolarHBondContact O-CD2 3.39Å; L468-F471 HydrophobicContact CD2-CD2 4.46Å; L468-F471 PolarHBondContact O-N 3.27Å; F471-D473 VanDerWaalsContact C-N 3.3Å; F471-D473 PolarHBondContact O-N 3.31Å; F471-I474 HydrophobicContact CD1-CD1 4.39Å; F471-I474 PolarHBondContact O-N 2.65Å; F471-I475 HydrophobicContact CB-CD1 4.16Å; F471-I475 VanDerWaalsContact O-CB 3.27Å; F471-I475 WeakPolarHBondContact O-CB 3.03Å; F471-I475 WeakPolarHBondContact O-CD1 3.3Å; F471-I475 WeakPolarHBondContact O-CG1 2.89Å; F471-I475 PolarHBondContact O-N 3.48Å; F471-E519 HydrophobicContact CE1-CG 4.14Å; F471-E519 HydrophobicContact CZ-CG 4.43Å; F471-F523 HydrophobicContact CE2-CB 4.44Å; F471-F523 HydrophobicContact CE2-CD1 4.48Å; F471-F523 AromaticContact CE2-CD2 3.62Å; F471-F523 HydrophobicContact CE2-CD2 3.62Å; F471-F523 AromaticContact CE2-CE2 3.92Å; F471-F523 HydrophobicContact CE2-CE2 3.92Å; F471-F523 AromaticContact CE2-CG 3.92Å; F471-F523 HydrophobicContact CE2-CG 3.92Å; F471-F523 HydrophobicContact CE2-CZ 4.49Å; F471-F523 HydrophobicContact CZ-CB 3.94Å; F471-F523 AromaticContact CZ-CD2 3.97Å; F471-F523 HydrophobicContact CZ-CD2 3.97Å; F471-F523 AromaticContact CZ-CG 3.93Å; F471-F523 HydrophobicContact CZ-CG 3.93Å
472	P	96.1	Very high	95.5	Very high	87 Å²	87	25.8 Å²	25.8	57%	0.565	15%	0.148	S	C	*	.	H	α-helix	trans	-53.6	-46.6	175.2	-29.3	36	0	0	0	113.1	L468 H476	L468-P472 VanDerWaalsContact O-CD 3.27Å; L468-P472 WeakPolarHBondContact O-CD 3.47Å; P472-H476 WeakPolarHBondContact O-CB 3.4Å; P472-H476 PolarHBondContact O-N 2.95Å; P472-H476 VanDerWaalsContact O-N 3.09Å
473	D	93.7	Very high	95.4	Very high	81 Å²	81	26.7 Å²	26.7	43%	0.433	16%	0.158	S	C	.	.	H	α-helix	trans	-67.6	-47.5	177.7	-86.7	-23.3	0	0	0	111.3	S177 N470 F471 I475 H476 L477	S177-D473 VanDerWaalsContact CB-OD1 3.26Å; S177-D473 WeakPolarHBondContact CB-OD1 3.36Å; S177-D473 PolarHBondContact OG-OD1 3.39Å; N470-D473 PolarHBondContact O-N 2.73Å; F471-D473 VanDerWaalsContact C-N 3.3Å; F471-D473 PolarHBondContact O-N 3.31Å; D473-I475 VanDerWaalsContact C-N 3.33Å; D473-I475 PolarHBondContact O-N 3.28Å; D473-H476 WeakPolarHBondContact O-CA 3.28Å; D473-H476 WeakPolarHBondContact O-CB 3.4Å; D473-H476 PolarHBondContact O-N 2.89Å; D473-L477 WeakPolarHBondContact O-CG 3.38Å; D473-L477 PolarHBondContact O-N 3.48Å; D473-L477 VanDerWaalsContact O-N 3.08Å
474	I	94.8	Very high	95.2	Very high	8 Å²	8	26.9 Å²	26.9	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-43.4	-179.9	-61.4	167.8	0	0	0	111.3	V272 N470 F471 H476 L477 Q478 L516	V272-I474 HydrophobicContact CB-CG2 4.44Å; N470-I474 HydrophobicContact CB-CD1 4.11Å; N470-I474 WeakPolarHBondContact O-CG1 3.25Å; N470-I474 PolarHBondContact O-N 3.46Å; F471-I474 HydrophobicContact CD1-CD1 4.39Å; F471-I474 PolarHBondContact O-N 2.65Å; I474-H476 VanDerWaalsContact C-N 3.3Å; I474-H476 PolarHBondContact O-N 2.7Å; I474-L477 VanDerWaalsContact O-CB 3.3Å; I474-L477 WeakPolarHBondContact O-CB 3.49Å; I474-L477 PolarHBondContact O-N 2.98Å; I474-Q478 PolarHBondContact O-N 3.31Å; I474-L516 HydrophobicContact CG2-CD1 3.57Å
475	I	95.6	Very high	95	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.036	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-38.8	176.9	-70.2	164.9	0	0	0	110.4	V367 F370 K371 F471 D473 L477 Q478 K479	V367-I475 HydrophobicContact CG1-CG2 3.83Å; F370-I475 HydrophobicContact CD1-CD1 3.98Å; F370-I475 HydrophobicContact CE1-CD1 4.3Å; K371-I475 HydrophobicContact CB-CD1 3.96Å; K371-I475 HydrophobicContact CB-CG2 4.47Å; K371-I475 HydrophobicContact CD-CG2 4.45Å; K371-I475 HydrophobicContact CG-CD1 4.26Å; F471-I475 HydrophobicContact CB-CD1 4.16Å; F471-I475 VanDerWaalsContact O-CB 3.27Å; F471-I475 WeakPolarHBondContact O-CB 3.03Å; F471-I475 WeakPolarHBondContact O-CD1 3.3Å; F471-I475 WeakPolarHBondContact O-CG1 2.89Å; F471-I475 PolarHBondContact O-N 3.48Å; D473-I475 VanDerWaalsContact C-N 3.33Å; D473-I475 PolarHBondContact O-N 3.28Å; I475-L477 VanDerWaalsContact C-N 3.25Å; I475-L477 PolarHBondContact O-N 2.79Å; I475-Q478 PolarHBondContact O-N 2.85Å; I475-K479 HydrophobicContact CG2-CD 4.39Å; I475-K479 HydrophobicContact CG2-CG 4.45Å; I475-K479 PolarHBondContact O-N 3.37Å
476	H	93.8	Very high	94.8	Very high	82 Å²	82	30.5 Å²	30.5	38%	0.38	17%	0.174	S	C	.	.	H	α-helix	trans	-62.4	-33.9	176.3	-168.6	75.9	0	0	0	111.9	P472 D473 I474 Q478 K479 G480	P472-H476 WeakPolarHBondContact O-CB 3.4Å; P472-H476 PolarHBondContact O-N 2.95Å; P472-H476 VanDerWaalsContact O-N 3.09Å; D473-H476 WeakPolarHBondContact O-CA 3.28Å; D473-H476 WeakPolarHBondContact O-CB 3.4Å; D473-H476 PolarHBondContact O-N 2.89Å; I474-H476 VanDerWaalsContact C-N 3.3Å; I474-H476 PolarHBondContact O-N 2.7Å; H476-Q478 PolarHBondContact O-N 3.11Å; H476-K479 PolarHBondContact O-N 2.95Å; H476-G480 PolarHBondContact O-N 2.97Å
477	L	93.2	Very high	94.7	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-58.6	-48.1	174.1	-50.5	-177	0	0	0	111.5	S177 F178 S181 V183 T271 V272 D473 I474 I475 G480 A481	S177-L477 VanDerWaalsContact C-CD2 3.44Å; S177-L477 VanDerWaalsContact O-CD2 3.26Å; S177-L477 WeakPolarHBondContact O-CD2 3.5Å; F178-L477 VanDerWaalsContact CA-CD2 3.49Å; F178-L477 HydrophobicContact CB-CD2 4.36Å; F178-L477 WeakPolarHBondContact CD2-O 3.24Å; F178-L477 WeakPolarHBondContact CE2-O 3.42Å; S181-L477 VanDerWaalsContact OG-CD2 3.25Å; S181-L477 WeakPolarHBondContact OG-CD2 3.43Å; V183-L477 HydrophobicContact CG1-CB 4.43Å; V183-L477 HydrophobicContact CG2-CB 4.44Å; V183-L477 HydrophobicContact CG2-CD1 4Å; V183-L477 HydrophobicContact CG2-CD2 4.48Å; T271-L477 WeakPolarHBondContact O-CD1 3.25Å; V272-L477 HydrophobicContact CG1-CD1 4.09Å; D473-L477 WeakPolarHBondContact O-CG 3.38Å; D473-L477 PolarHBondContact O-N 3.48Å; D473-L477 VanDerWaalsContact O-N 3.08Å; I474-L477 VanDerWaalsContact O-CB 3.3Å; I474-L477 WeakPolarHBondContact O-CB 3.49Å; I474-L477 PolarHBondContact O-N 2.98Å; I475-L477 VanDerWaalsContact C-N 3.25Å; I475-L477 PolarHBondContact O-N 2.79Å; L477-G480 PolarHBondContact O-N 3.35Å; L477-A481 PolarHBondContact O-N 3.47Å
478	Q	93.5	Very high	94.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-67.6	-40.3	-179.8	-177.4	60.5	20.8	0	0	112	V367 I474 I475 H476 G480 A481 F482 V512 G513 L516	V367-Q478 HydrophobicContact CG2-CG 4.24Å; I474-Q478 PolarHBondContact O-N 3.31Å; I475-Q478 PolarHBondContact O-N 2.85Å; H476-Q478 PolarHBondContact O-N 3.11Å; Q478-G480 VanDerWaalsContact C-N 3.34Å; Q478-G480 PolarHBondContact O-N 3.41Å; Q478-A481 WeakPolarHBondContact O-CB 3.48Å; Q478-A481 PolarHBondContact O-N 3.49Å; Q478-F482 HydrophobicContact CG-CD2 3.98Å; Q478-F482 HydrophobicContact CG-CE2 3.53Å; Q478-F482 HydrophobicContact CG-CZ 4.04Å; Q478-F482 VanDerWaalsContact NE2-CE1 3.3Å; Q478-F482 WeakPolarHBondContact O-CD2 3.49Å; Q478-F482 PolarHBondContact O-N 2.97Å; Q478-V512 VanDerWaalsContact OE1-C 3.25Å; Q478-V512 VanDerWaalsContact OE1-CG1 3.23Å; Q478-G513 VanDerWaalsContact OE1-CA 3.24Å; Q478-L516 HydrophobicContact CB-CD2 3.55Å; Q478-L516 HydrophobicContact CG-CD2 3.94Å
479	K	94	Very high	94.3	Very high	64 Å²	64	34.2 Å²	34.2	28%	0.278	19%	0.19	S	C	.	.	H	α-helix	trans	-62.8	-41	175.4	-71.6	-167.6	174.8	-137.6	0	112.2	D368 I475 H476 A481 F482 A483	D368-K479 WeakPolarHBondContact OD1-CE 3.3Å; D368-K479 IonicContact OD1-NZ 2.63Å; D368-K479 PolarHBondContact OD1-NZ 3.44Å; D368-K479 IonicContact OD2-NZ 3Å; I475-K479 HydrophobicContact CG2-CD 4.39Å; I475-K479 HydrophobicContact CG2-CG 4.45Å; I475-K479 PolarHBondContact O-N 3.37Å; H476-K479 PolarHBondContact O-N 2.95Å; K479-A481 VanDerWaalsContact C-N 3.34Å; K479-F482 PolarHBondContact O-N 2.78Å; K479-A483 PolarHBondContact O-N 3.08Å
480	G	93.1	Very high	94.1	Very high	12 Å²	12	37.3 Å²	37.3	12%	0.124	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-44.1	172.3	0	0	0	0	0	112	H476 L477 Q478 F482 A483 K484	H476-G480 PolarHBondContact O-N 2.97Å; L477-G480 PolarHBondContact O-N 3.35Å; Q478-G480 VanDerWaalsContact C-N 3.34Å; Q478-G480 PolarHBondContact O-N 3.41Å; G480-F482 PolarHBondContact O-N 3.2Å; G480-A483 PolarHBondContact O-N 3.34Å; G480-K484 WeakPolarHBondContact O-CG 3.23Å; G480-K484 PolarHBondContact O-N 3.46Å; G480-K484 VanDerWaalsContact O-N 3.09Å
481	A	94.1	Very high	93.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-41.8	176.1	0	0	0	0	0	112.5	F178 V187 L477 Q478 K479 K484 V485 C509	F178-A481 HydrophobicContact CE2-CB 4.38Å; V187-A481 HydrophobicContact CG2-CB 3.81Å; L477-A481 PolarHBondContact O-N 3.47Å; Q478-A481 WeakPolarHBondContact O-CB 3.48Å; Q478-A481 PolarHBondContact O-N 3.49Å; K479-A481 VanDerWaalsContact C-N 3.34Å; A481-K484 PolarHBondContact O-N 3.13Å; A481-V485 WeakPolarHBondContact O-CG2 3.43Å; A481-V485 PolarHBondContact O-N 2.68Å; A481-V485 VanDerWaalsContact O-N 3.09Å; A481-C509 HydrophobicContact CB-CB 4.25Å
482	F	94.3	Very high	93.6	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.022	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-42.4	174.4	-72.9	-46.8	0	0	0	112.8	L360 V363 E364 Q478 K479 G480 K484 V485 K486	L360-F482 HydrophobicContact CB-CE1 4.32Å; L360-F482 HydrophobicContact CD2-CE1 4.07Å; V363-F482 HydrophobicContact CB-CZ 4.06Å; V363-F482 HydrophobicContact CG1-CZ 3.8Å; E364-F482 HydrophobicContact CB-CD2 4.24Å; E364-F482 HydrophobicContact CB-CE2 3.8Å; E364-F482 HydrophobicContact CB-CZ 4.04Å; E364-F482 HydrophobicContact CG-CD2 4.11Å; E364-F482 HydrophobicContact CG-CE2 4.09Å; Q478-F482 HydrophobicContact CG-CD2 3.98Å; Q478-F482 HydrophobicContact CG-CE2 3.53Å; Q478-F482 HydrophobicContact CG-CZ 4.04Å; Q478-F482 VanDerWaalsContact NE2-CE1 3.3Å; Q478-F482 WeakPolarHBondContact O-CD2 3.49Å; Q478-F482 PolarHBondContact O-N 2.97Å; K479-F482 PolarHBondContact O-N 2.78Å; G480-F482 PolarHBondContact O-N 3.2Å; F482-K484 VanDerWaalsContact C-N 3.26Å; F482-K484 PolarHBondContact O-N 3.08Å; F482-V485 PolarHBondContact O-N 2.89Å; F482-K486 WeakPolarHBondContact O-CG 3.44Å; F482-K486 PolarHBondContact O-N 2.92Å
483	A	93.9	Very high	93.4	Very high	52 Å²	52	39.7 Å²	39.7	43%	0.43	20%	0.199	S	C	.	.	H	α-helix	trans	-58.4	-40.9	175.8	0	0	0	0	0	111.2	K479 G480 K486 E487	K479-A483 PolarHBondContact O-N 3.08Å; G480-A483 PolarHBondContact O-N 3.34Å; A483-K486 PolarHBondContact O-N 3.41Å; A483-E487 WeakPolarHBondContact O-CB 3.42Å; A483-E487 PolarHBondContact O-N 3.13Å
484	K	93.7	Very high	93.3	Very high	19 Å²	19	39.8 Å²	39.8	8%	0.083	20%	0.197	C	C	.	.	H	α-helix	trans	-67	-35.3	176.9	-64.7	-66.9	155.9	-157.2	0	113.5	V168 G169 F178 E184 V187 L188 G480 A481 F482 E487 S488 I505	V168-K484 HydrophobicContact CG1-CD 3.63Å; G169-K484 PolarHBondContact O-NZ 3.29Å; F178-K484 HydrophobicContact CE1-CG 4.23Å; F178-K484 HydrophobicContact CZ-CG 4.1Å; E184-K484 WeakPolarHBondContact OE1-CE 3.5Å; E184-K484 IonicContact OE1-NZ 3.61Å; V187-K484 HydrophobicContact CG1-CB 3.94Å; V187-K484 HydrophobicContact CG1-CG 4.5Å; L188-K484 HydrophobicContact CD2-CD 4.21Å; G480-K484 WeakPolarHBondContact O-CG 3.23Å; G480-K484 PolarHBondContact O-N 3.46Å; G480-K484 VanDerWaalsContact O-N 3.09Å; A481-K484 PolarHBondContact O-N 3.13Å; F482-K484 VanDerWaalsContact C-N 3.26Å; F482-K484 PolarHBondContact O-N 3.08Å; K484-E487 IonicContact NZ-OE2 2.64Å; K484-E487 PolarHBondContact NZ-OE2 3.02Å; K484-S488 VanDerWaalsContact O-CB 3.32Å; K484-S488 WeakPolarHBondContact O-CB 3.28Å; K484-S488 PolarHBondContact O-N 3.37Å; K484-S488 PolarHBondContact O-OG 2.86Å; K484-I505 HydrophobicContact CB-CG2 4.38Å
485	V	94	Very high	93.1	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.036	23%	0.228	C	C	.	.	H	α-helix	trans	-66.6	-43.1	173.2	175	0	0	0	0	111.7	L360 A481 F482 E487 S488 Q489 I505 R506 C509	L360-V485 HydrophobicContact CD1-CG1 3.81Å; A481-V485 WeakPolarHBondContact O-CG2 3.43Å; A481-V485 PolarHBondContact O-N 2.68Å; A481-V485 VanDerWaalsContact O-N 3.09Å; F482-V485 PolarHBondContact O-N 2.89Å; V485-E487 VanDerWaalsContact C-N 3.35Å; V485-S488 PolarHBondContact O-N 2.79Å; V485-S488 PolarHBondContact O-OG 3.37Å; V485-Q489 WeakPolarHBondContact O-CB 3.45Å; V485-Q489 PolarHBondContact O-N 3.49Å; V485-I505 HydrophobicContact CG2-CG2 4.08Å; V485-R506 HydrophobicContact CG1-CG 4.42Å; V485-C509 HydrophobicContact CG2-CB 3.4Å
486	K	93.3	Very high	92.8	Very high	117 Å²	117	48.5 Å²	48.5	51%	0.509	25%	0.253	S	S	.	.	H	α-helix	trans	-63.9	-42.2	177.2	-69.2	173	-178.2	173	0	110.8	E364 F482 A483 R490	E364-K486 IonicContact OE1-NZ 2.81Å; E364-K486 PolarHBondContact OE1-NZ 3.38Å; E364-K486 IonicContact OE2-NZ 3.23Å; E364-K486 PolarHBondContact OE2-NZ 3.18Å; F482-K486 WeakPolarHBondContact O-CG 3.44Å; F482-K486 PolarHBondContact O-N 2.92Å; A483-K486 PolarHBondContact O-N 3.41Å; K486-R490 PolarHBondContact O-N 2.76Å; K486-R490 VanDerWaalsContact O-N 3.15Å
487	E	93.4	Very high	92.7	Very high	47 Å²	47	45.2 Å²	45.2	22%	0.22	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-47	176.4	-170.4	-177.2	169.2	0	0	112.1	V168 G169 A483 K484 V485 Q489 R490 M491	V168-E487 HydrophobicContact CG1-CB 4.26Å; V168-E487 HydrophobicContact CG1-CG 3.94Å; V168-E487 WeakPolarHBondContact CG1-OE2 3.46Å; G169-E487 PolarHBondContact N-OE1 2.97Å; G169-E487 VanDerWaalsContact N-OE1 3.11Å; A483-E487 WeakPolarHBondContact O-CB 3.42Å; A483-E487 PolarHBondContact O-N 3.13Å; K484-E487 IonicContact NZ-OE2 2.64Å; K484-E487 PolarHBondContact NZ-OE2 3.02Å; V485-E487 VanDerWaalsContact C-N 3.35Å; E487-Q489 PolarHBondContact O-N 2.96Å; E487-R490 PolarHBondContact O-N 3.36Å; E487-M491 HydrophobicContact CG-CE 4.02Å; E487-M491 WeakPolarHBondContact O-CG 3.36Å; E487-M491 PolarHBondContact O-N 2.78Å; E487-M491 WeakPolarHBondContact OE1-CE 3.45Å
488	S	93.8	Very high	92.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-39.8	179.9	68.6	0	0	0	0	112.2	K484 V485 M491 S492	K484-S488 VanDerWaalsContact O-CB 3.32Å; K484-S488 WeakPolarHBondContact O-CB 3.28Å; K484-S488 PolarHBondContact O-N 3.37Å; K484-S488 PolarHBondContact O-OG 2.86Å; V485-S488 PolarHBondContact O-N 2.79Å; V485-S488 PolarHBondContact O-OG 3.37Å; S488-M491 PolarHBondContact O-N 2.89Å; S488-S492 PolarHBondContact O-N 3.42Å
489	Q	91.8	Very high	92.5	Very high	44 Å²	44	52.8 Å²	52.8	21%	0.206	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-46.2	176.9	-171.7	60.5	51.7	0	0	111.2	V485 E487 M491 S492 D493	V485-Q489 WeakPolarHBondContact O-CB 3.45Å; V485-Q489 PolarHBondContact O-N 3.49Å; E487-Q489 PolarHBondContact O-N 2.96Å; Q489-M491 VanDerWaalsContact C-N 3.3Å; Q489-M491 PolarHBondContact O-N 3.32Å; Q489-S492 WeakPolarHBondContact O-CB 3.48Å; Q489-S492 PolarHBondContact O-N 3.43Å; Q489-S492 VanDerWaalsContact O-N 3.11Å; Q489-D493 PolarHBondContact NE2-OD1 3.15Å; Q489-D493 PolarHBondContact O-N 2.82Å
490	R	92.9	Very high	92.3	Very high	119 Å²	119	55.7 Å²	55.7	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-58.7	-42.1	176.3	-174.4	-172.3	66.2	89.7	0.5	112	K486 E487 S492 D493 E494	K486-R490 PolarHBondContact O-N 2.76Å; K486-R490 VanDerWaalsContact O-N 3.15Å; E487-R490 PolarHBondContact O-N 3.36Å; R490-S492 VanDerWaalsContact C-N 3.32Å; R490-D493 PolarHBondContact O-N 2.98Å; R490-E494 IonicContact CZ-OE1 2.76Å; R490-E494 VanDerWaalsContact NH1-CD 3.32Å; R490-E494 IonicContact NH1-OE1 2.77Å; R490-E494 PolarHBondContact NH1-OE1 3.34Å; R490-E494 IonicContact NH1-OE2 2.86Å; R490-E494 PolarHBondContact NH1-OE2 3.18Å; R490-E494 WeakPolarHBondContact O-CB 3.28Å; R490-E494 WeakPolarHBondContact O-CG 3.32Å; R490-E494 PolarHBondContact O-N 3.11Å
491	M	90.6	Very high	92.2	Very high	27 Å²	27	57.3 Å²	57.3	13%	0.133	30%	0.299	C	S	.	.	H	α-helix	trans	-66.8	-34	177.2	-71.3	-175.4	176.6	0	0	112.6	M167 V168 E487 S488 Q489 G495 K496 M497	M167-M491 VanDerWaalsContact O-SD 3.34Å; V168-M491 HydrophobicContact CG2-SD 4.15Å; E487-M491 HydrophobicContact CG-CE 4.02Å; E487-M491 WeakPolarHBondContact O-CG 3.36Å; E487-M491 PolarHBondContact O-N 2.78Å; E487-M491 WeakPolarHBondContact OE1-CE 3.45Å; S488-M491 PolarHBondContact O-N 2.89Å; Q489-M491 VanDerWaalsContact C-N 3.3Å; Q489-M491 PolarHBondContact O-N 3.32Å; M491-G495 PolarHBondContact O-N 3Å; M491-K496 HydrophobicContact CB-CB 4.48Å; M491-K496 WeakPolarHBondContact O-CA 3.41Å; M491-K496 PolarHBondContact O-N 3.2Å; M491-M497 HydrophobicContact CB-CB 3.87Å; M491-M497 HydrophobicContact CB-SD 4.45Å; M491-M497 PolarHBondContact O-N 3.21Å
492	S	92.4	Very high	92.1	Very high	17 Å²	17	57.3 Å²	57.3	12%	0.119	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-47.7	172.8	-166.7	0	0	0	0	111.1	S488 Q489 R490 E494 G495 Q499	S488-S492 PolarHBondContact O-N 3.42Å; Q489-S492 WeakPolarHBondContact O-CB 3.48Å; Q489-S492 PolarHBondContact O-N 3.43Å; Q489-S492 VanDerWaalsContact O-N 3.11Å; R490-S492 VanDerWaalsContact C-N 3.32Å; S492-E494 PolarHBondContact O-N 2.93Å; S492-G495 WeakPolarHBondContact O-CA 3.41Å; S492-G495 PolarHBondContact O-N 3.44Å; S492-Q499 PolarHBondContact OG-OE1 2.94Å
493	D	91.4	Very high	91.9	Very high	120 Å²	120	60.5 Å²	60.5	64%	0.642	32%	0.316	S	S	*	.	H	α-helix	trans	-62.2	-31.7	178.7	-59	-19	0	0	0	112	Q489 R490 G495	Q489-D493 PolarHBondContact NE2-OD1 3.15Å; Q489-D493 PolarHBondContact O-N 2.82Å; R490-D493 PolarHBondContact O-N 2.98Å; D493-G495 VanDerWaalsContact C-N 3.26Å; D493-G495 PolarHBondContact O-N 3.27Å
494	E	92.6	Very high	91.9	Very high	83 Å²	83	58.9 Å²	58.9	39%	0.388	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-1	173.5	-72.7	175.6	-163.8	0	0	114	R490 S492 K496	R490-E494 IonicContact CZ-OE1 2.76Å; R490-E494 VanDerWaalsContact NH1-CD 3.32Å; R490-E494 IonicContact NH1-OE1 2.77Å; R490-E494 PolarHBondContact NH1-OE1 3.34Å; R490-E494 IonicContact NH1-OE2 2.86Å; R490-E494 PolarHBondContact NH1-OE2 3.18Å; R490-E494 WeakPolarHBondContact O-CB 3.28Å; R490-E494 WeakPolarHBondContact O-CG 3.32Å; R490-E494 PolarHBondContact O-N 3.11Å; S492-E494 PolarHBondContact O-N 2.93Å; E494-K496 VanDerWaalsContact C-N 3.25Å; E494-K496 HydrophobicContact CB-CD 4.2Å; E494-K496 HydrophobicContact CB-CG 4.25Å; E494-K496 PolarHBondContact O-N 3.46Å; E494-K496 WeakPolarHBondContact OE2-CE 3.48Å; E494-K496 IonicContact OE2-NZ 3.19Å; E494-K496 PolarHBondContact OE2-NZ 2.95Å
495	G	90	Very high	91.9	Very high	67 Å²	67	58.1 Å²	58.1	69%	0.691	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	16.1	-178.1	0	0	0	0	0	114.6	M491 S492 D493	M491-G495 PolarHBondContact O-N 3Å; S492-G495 WeakPolarHBondContact O-CA 3.41Å; S492-G495 PolarHBondContact O-N 3.44Å; D493-G495 VanDerWaalsContact C-N 3.26Å; D493-G495 PolarHBondContact O-N 3.27Å
496	K	89.3	Confident	91.9	Very high	131 Å²	131	61 Å²	61	57%	0.57	31%	0.312	S	S	*	.	S	Bend	trans	-94.9	-8.1	-178.9	-65.2	174.7	-175.6	161.5	0	113.2	M491 E494	M491-K496 HydrophobicContact CB-CB 4.48Å; M491-K496 WeakPolarHBondContact O-CA 3.41Å; M491-K496 PolarHBondContact O-N 3.2Å; E494-K496 VanDerWaalsContact C-N 3.25Å; E494-K496 HydrophobicContact CB-CD 4.2Å; E494-K496 HydrophobicContact CB-CG 4.25Å; E494-K496 PolarHBondContact O-N 3.46Å; E494-K496 WeakPolarHBondContact OE2-CE 3.48Å; E494-K496 IonicContact OE2-NZ 3.19Å; E494-K496 PolarHBondContact OE2-NZ 2.95Å
497	M	91.1	Very high	91.9	Very high	13 Å²	13	62.2 Å²	62.2	6%	0.064	32%	0.317	C	S	.	.	S	Bend	trans	-141.1	146.1	-178.8	-175.5	168.8	-161.2	0	0	109.3	M167 V168 M491 E501 A502 I505	M167-M497 HydrophobicContact CE-CB 4.48Å; M167-M497 HydrophobicContact CE-CG 4.13Å; V168-M497 HydrophobicContact CG2-CE 3.89Å; V168-M497 HydrophobicContact CG2-SD 3.76Å; M491-M497 HydrophobicContact CB-CB 3.87Å; M491-M497 HydrophobicContact CB-SD 4.45Å; M491-M497 PolarHBondContact O-N 3.21Å; M497-E501 HydrophobicContact CE-CB 3.65Å; M497-E501 HydrophobicContact CE-CG 3.42Å; M497-E501 VanDerWaalsContact CE-CG 3.42Å; M497-E501 WeakPolarHBondContact CE-OE1 3.47Å; M497-E501 HydrophobicContact CG-CB 4.27Å; M497-A502 HydrophobicContact SD-CB 4.33Å; M497-I505 HydrophobicContact CE-CD1 3.55Å
498	D	91.9	Very high	91.9	Very high	94 Å²	94	62.7 Å²	62.7	50%	0.503	32%	0.317	S	S	.	.			trans	-76.3	143.8	174.9	-173.4	30.3	0	0	0	111	D500 E501 A502	D498-D500 VanDerWaalsContact C-N 3.28Å; D498-D500 PolarHBondContact O-N 3.49Å; D498-E501 HydrophobicContact CB-CB 4.39Å; D498-E501 WeakPolarHBondContact O-CB 3.5Å; D498-E501 PolarHBondContact O-N 3.32Å; D498-E501 VanDerWaalsContact O-N 3.11Å; D498-A502 PolarHBondContact O-N 3.37Å; D498-A502 VanDerWaalsContact O-N 3.1Å
499	Q	90	Very high	92	Very high	71 Å²	71	62.7 Å²	62.7	33%	0.332	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-36.2	-176.7	-172.8	60.8	39.5	0	0	111.2	S492 E501 A502 D503	S492-Q499 PolarHBondContact OG-OE1 2.94Å; Q499-E501 VanDerWaalsContact C-N 3.29Å; Q499-E501 PolarHBondContact O-N 2.92Å; Q499-A502 PolarHBondContact O-N 3.05Å; Q499-D503 PolarHBondContact NE2-OD1 3.39Å; Q499-D503 VanDerWaalsContact NE2-OD1 3.07Å; Q499-D503 WeakPolarHBondContact O-CB 3.45Å; Q499-D503 VanDerWaalsContact O-CG 3.29Å; Q499-D503 PolarHBondContact O-N 2.95Å
500	D	91.2	Very high	92.1	Very high	124 Å²	124	63.1 Å²	63.1	66%	0.663	32%	0.317	S	S	*	.	H	α-helix	trans	-63.3	-35.4	176.3	-73.1	-12.2	0	0	0	111.9	D498 G504	D498-D500 VanDerWaalsContact C-N 3.28Å; D498-D500 PolarHBondContact O-N 3.49Å; D500-G504 PolarHBondContact O-N 3.32Å
501	E	90.6	Very high	92.2	Very high	47 Å²	47	58.2 Å²	58.2	22%	0.22	30%	0.3	C	S	.	.	H	α-helix	trans	-70.4	-42.6	177.1	-157.9	175.4	130.8	0	0	110.7	K164 M167 M497 D498 Q499 G504 I505	K164-E501 IonicContact NZ-OE2 3.67Å; K164-E501 PolarHBondContact NZ-OE2 3.13Å; K164-E501 VanDerWaalsContact NZ-OE2 3.14Å; M167-E501 VanDerWaalsContact CE-CD 3.49Å; M167-E501 WeakPolarHBondContact CE-OE1 3.25Å; M167-E501 WeakPolarHBondContact CE-OE2 3.48Å; M497-E501 HydrophobicContact CE-CB 3.65Å; M497-E501 HydrophobicContact CE-CG 3.42Å; M497-E501 VanDerWaalsContact CE-CG 3.42Å; M497-E501 WeakPolarHBondContact CE-OE1 3.47Å; M497-E501 HydrophobicContact CG-CB 4.27Å; D498-E501 HydrophobicContact CB-CB 4.39Å; D498-E501 WeakPolarHBondContact O-CB 3.5Å; D498-E501 PolarHBondContact O-N 3.32Å; D498-E501 VanDerWaalsContact O-N 3.11Å; Q499-E501 VanDerWaalsContact C-N 3.29Å; Q499-E501 PolarHBondContact O-N 2.92Å; E501-G504 PolarHBondContact O-N 3.14Å; E501-I505 PolarHBondContact O-N 3.31Å; E501-I505 VanDerWaalsContact O-N 3.15Å
502	A	91.3	Very high	92.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-39.8	175.1	0	0	0	0	0	112.2	M497 D498 Q499 G504 I505 R506	M497-A502 HydrophobicContact SD-CB 4.33Å; D498-A502 PolarHBondContact O-N 3.37Å; D498-A502 VanDerWaalsContact O-N 3.1Å; Q499-A502 PolarHBondContact O-N 3.05Å; A502-G504 VanDerWaalsContact C-N 3.32Å; A502-G504 PolarHBondContact O-N 3.14Å; A502-I505 PolarHBondContact O-N 3.12Å; A502-R506 PolarHBondContact O-N 3.35Å
503	D	91.8	Very high	92.6	Very high	71 Å²	71	56.3 Å²	56.3	38%	0.38	29%	0.289	S	S	.	.	H	α-helix	trans	-67.3	-34.1	175.6	-74.4	-14.5	0	0	0	111.9	Q499 R506 K507	Q499-D503 PolarHBondContact NE2-OD1 3.39Å; Q499-D503 VanDerWaalsContact NE2-OD1 3.07Å; Q499-D503 WeakPolarHBondContact O-CB 3.45Å; Q499-D503 VanDerWaalsContact O-CG 3.29Å; Q499-D503 PolarHBondContact O-N 2.95Å; D503-R506 WeakPolarHBondContact O-CB 3.48Å; D503-R506 PolarHBondContact O-N 3.16Å; D503-K507 WeakPolarHBondContact O-CB 3.44Å; D503-K507 PolarHBondContact O-N 2.8Å
504	G	92.9	Very high	92.9	Very high	19 Å²	19	50.6 Å²	50.6	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-46.1	170.1	0	0	0	0	0	112.9	D500 E501 A502 K507 R508	D500-G504 PolarHBondContact O-N 3.32Å; E501-G504 PolarHBondContact O-N 3.14Å; A502-G504 VanDerWaalsContact C-N 3.32Å; A502-G504 PolarHBondContact O-N 3.14Å; G504-K507 PolarHBondContact O-N 3.01Å; G504-R508 WeakPolarHBondContact O-CG 3.47Å; G504-R508 PolarHBondContact O-N 3.25Å; G504-R508 VanDerWaalsContact O-N 3.12Å; G504-R508 PolarHBondContact O-NH1 2.98Å
505	I	94.5	Very high	93.1	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-45.6	175.7	-67.9	176.8	0	0	0	110.4	V168 V187 L188 K484 V485 M497 E501 A502 K507 R508 C509	V168-I505 HydrophobicContact CG2-CD1 3.76Å; V187-I505 HydrophobicContact CG1-CG2 3.76Å; L188-I505 HydrophobicContact CD2-CD1 4.2Å; K484-I505 HydrophobicContact CB-CG2 4.38Å; V485-I505 HydrophobicContact CG2-CG2 4.08Å; M497-I505 HydrophobicContact CE-CD1 3.55Å; E501-I505 PolarHBondContact O-N 3.31Å; E501-I505 VanDerWaalsContact O-N 3.15Å; A502-I505 PolarHBondContact O-N 3.12Å; I505-K507 VanDerWaalsContact C-N 3.34Å; I505-K507 PolarHBondContact O-N 3.37Å; I505-R508 PolarHBondContact O-N 3.03Å; I505-C509 WeakPolarHBondContact O-CB 3.46Å; I505-C509 PolarHBondContact O-N 3.03Å
506	R	93.1	Very high	93.4	Very high	66 Å²	66	43.5 Å²	43.5	25%	0.249	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-44.7	176.5	-170.7	-175.2	-62.4	-83.6	-1.5	111.9	L360 V485 A502 D503 R508 C509 R510	L360-R506 HydrophobicContact CD1-CG 4.39Å; V485-R506 HydrophobicContact CG1-CG 4.42Å; A502-R506 PolarHBondContact O-N 3.35Å; D503-R506 WeakPolarHBondContact O-CB 3.48Å; D503-R506 PolarHBondContact O-N 3.16Å; R506-R508 PolarHBondContact O-N 3.49Å; R506-C509 PolarHBondContact O-N 3.1Å; R506-R510 WeakPolarHBondContact O-CG 3.33Å; R506-R510 PolarHBondContact O-N 2.98Å
507	K	93.2	Very high	93.8	Very high	143 Å²	143	37.4 Å²	37.4	62%	0.622	18%	0.181	S	C	*	.	H	α-helix	trans	-62.8	-40.8	178.3	-173.8	177.7	179.9	179.3	0	112.6	D503 G504 I505 R510 T511	D503-K507 WeakPolarHBondContact O-CB 3.44Å; D503-K507 PolarHBondContact O-N 2.8Å; G504-K507 PolarHBondContact O-N 3.01Å; I505-K507 VanDerWaalsContact C-N 3.34Å; I505-K507 PolarHBondContact O-N 3.37Å; K507-R510 WeakPolarHBondContact O-CB 3.34Å; K507-R510 PolarHBondContact O-N 3.38Å; K507-T511 PolarHBondContact O-N 2.91Å; K507-T511 PolarHBondContact O-OG1 3.48Å
508	R	94.5	Very high	94.1	Very high	58 Å²	58	36.8 Å²	36.8	22%	0.219	18%	0.178	C	C	.	.	H	α-helix	trans	-73.2	-38	178.4	-66.9	-177.5	-58.1	-98.7	-3.2	111.8	F186 V187 L188 G189 G504 I505 R506 R510 T511 V512	F186-R508 HydrophobicContact CD1-CB 4.28Å; F186-R508 HydrophobicContact CE1-CB 3.77Å; F186-R508 HydrophobicContact CE1-CG 4.35Å; F186-R508 WeakPolarHBondContact CE1-O 3.13Å; F186-R508 HydrophobicContact CE2-CB 4.49Å; F186-R508 HydrophobicContact CE2-CG 4.22Å; F186-R508 HydrophobicContact CZ-CB 3.89Å; F186-R508 HydrophobicContact CZ-CG 3.96Å; F186-R508 WeakPolarHBondContact O-CD 3.44Å; F186-R508 PolarHBondContact O-NE 3.06Å; V187-R508 VanDerWaalsContact O-CZ 3.24Å; V187-R508 PolarHBondContact O-NE 3.34Å; V187-R508 PolarHBondContact O-NH2 3.37Å; L188-R508 PolarHBondContact O-NH2 2.85Å; G189-R508 VanDerWaalsContact CA-CZ 3.45Å; G504-R508 WeakPolarHBondContact O-CG 3.47Å; G504-R508 PolarHBondContact O-N 3.25Å; G504-R508 VanDerWaalsContact O-N 3.12Å; G504-R508 PolarHBondContact O-NH1 2.98Å; I505-R508 PolarHBondContact O-N 3.03Å; R506-R508 PolarHBondContact O-N 3.49Å; R508-R510 VanDerWaalsContact C-N 3.31Å; R508-R510 PolarHBondContact O-N 3.48Å; R508-T511 VanDerWaalsContact O-CB 3.29Å; R508-T511 WeakPolarHBondContact O-CB 3.29Å; R508-T511 PolarHBondContact O-N 3.34Å; R508-V512 PolarHBondContact O-N 3.32Å
509	C	94.8	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.2	-41.1	170.2	179.8	0	0	0	0	112.3	A481 V485 I505 R506 T511 V512 G513	A481-C509 HydrophobicContact CB-CB 4.25Å; V485-C509 HydrophobicContact CG2-CB 3.4Å; I505-C509 WeakPolarHBondContact O-CB 3.46Å; I505-C509 PolarHBondContact O-N 3.03Å; R506-C509 PolarHBondContact O-N 3.1Å; C509-T511 PolarHBondContact O-N 3.09Å; C509-V512 PolarHBondContact O-N 3.32Å; C509-G513 PolarHBondContact O-N 3.29Å
510	R	94.4	Very high	94.8	Very high	54 Å²	54	29.3 Å²	29.3	20%	0.204	14%	0.14	C	C	.	.	H	α-helix	trans	-56.6	-38.9	172.5	-73.5	173.7	67.7	-164.7	0.4	112.1	I353 E356 R506 K507 R508 V512 G513 F514	I353-R510 HydrophobicContact CD1-CB 4.31Å; E356-R510 PolarHBondContact O-NH2 2.88Å; R506-R510 WeakPolarHBondContact O-CG 3.33Å; R506-R510 PolarHBondContact O-N 2.98Å; K507-R510 WeakPolarHBondContact O-CB 3.34Å; K507-R510 PolarHBondContact O-N 3.38Å; R508-R510 VanDerWaalsContact C-N 3.31Å; R508-R510 PolarHBondContact O-N 3.48Å; R510-V512 PolarHBondContact O-N 3.42Å; R510-G513 PolarHBondContact O-N 3.15Å; R510-F514 HydrophobicContact CB-CD2 4.38Å; R510-F514 HydrophobicContact CB-CE2 4.46Å; R510-F514 WeakPolarHBondContact O-CD2 3.5Å; R510-F514 PolarHBondContact O-N 2.91Å
511	T	95.1	Very high	95.1	Very high	15 Å²	15	23.9 Å²	23.9	9%	0.092	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-46.9	179.5	-54.1	0	0	0	0	111.6	F186 L351 I353 K507 R508 C509 G513 A515	F186-T511 HydrophobicContact CE1-CG2 4.35Å; F186-T511 HydrophobicContact CZ-CG2 4.08Å; L351-T511 HydrophobicContact CB-CG2 3.93Å; L351-T511 HydrophobicContact CD1-CG2 4.1Å; I353-T511 HydrophobicContact CG2-CG2 4.13Å; K507-T511 PolarHBondContact O-N 2.91Å; K507-T511 PolarHBondContact O-OG1 3.48Å; R508-T511 VanDerWaalsContact O-CB 3.29Å; R508-T511 WeakPolarHBondContact O-CB 3.29Å; R508-T511 PolarHBondContact O-N 3.34Å; C509-T511 PolarHBondContact O-N 3.09Å; T511-G513 VanDerWaalsContact C-N 3.33Å; T511-G513 PolarHBondContact O-N 2.97Å; T511-A515 WeakPolarHBondContact O-CB 3.44Å; T511-A515 PolarHBondContact O-N 2.74Å; T511-A515 VanDerWaalsContact O-N 3.13Å
512	V	95.3	Very high	95.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-61.9	-42.3	175	-171	0	0	0	0	110.9	V183 F186 V187 V272 Q478 R508 C509 R510 A515 L516	V183-V512 HydrophobicContact CG1-CG1 4.21Å; V183-V512 HydrophobicContact CG1-CG2 3.82Å; F186-V512 HydrophobicContact CD1-CG2 4.04Å; F186-V512 HydrophobicContact CE1-CG2 3.98Å; V187-V512 HydrophobicContact CG2-CG2 4.24Å; V272-V512 HydrophobicContact CG1-CG1 4.29Å; Q478-V512 VanDerWaalsContact OE1-C 3.25Å; Q478-V512 VanDerWaalsContact OE1-CG1 3.23Å; R508-V512 PolarHBondContact O-N 3.32Å; C509-V512 PolarHBondContact O-N 3.32Å; R510-V512 PolarHBondContact O-N 3.42Å; V512-A515 PolarHBondContact O-N 2.98Å; V512-L516 PolarHBondContact O-N 3.35Å
513	G	95.4	Very high	95.8	Very high	3 Å²	3	22.8 Å²	22.8	3%	0.031	11%	0.107	C	C	.	.	H	α-helix	trans	-67.2	-39.8	-178.5	0	0	0	0	0	113.9	Q478 C509 R510 T511 Q517	Q478-G513 VanDerWaalsContact OE1-CA 3.24Å; C509-G513 PolarHBondContact O-N 3.29Å; R510-G513 PolarHBondContact O-N 3.15Å; T511-G513 VanDerWaalsContact C-N 3.33Å; T511-G513 PolarHBondContact O-N 2.97Å; G513-Q517 WeakPolarHBondContact O-CB 3.34Å; G513-Q517 VanDerWaalsContact O-CG 3.29Å; G513-Q517 WeakPolarHBondContact O-CG 3.22Å; G513-Q517 PolarHBondContact O-N 3.27Å; G513-Q517 VanDerWaalsContact O-N 3.07Å; G513-Q517 PolarHBondContact O-NE2 2.89Å; G513-Q517 VanDerWaalsContact O-NE2 3.08Å
514	F	97.3	Very high	96	Very high	1 Å²	1	22 Å²	22	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-41.5	173.2	-85.8	-71.2	0	0	0	111.2	I203 M205 P210 I353 P354 Q358 R510 Q517 A518	I203-F514 HydrophobicContact CD1-CB 4.01Å; I203-F514 HydrophobicContact CG2-CB 4.36Å; I203-F514 HydrophobicContact CG2-CD1 4.4Å; M205-F514 HydrophobicContact SD-CE1 3.95Å; P210-F514 HydrophobicContact CB-CD1 3.86Å; P210-F514 HydrophobicContact CB-CE1 4.47Å; P210-F514 HydrophobicContact CG-CD1 3.56Å; P210-F514 HydrophobicContact CG-CE1 3.79Å; I353-F514 HydrophobicContact CB-CB 4.34Å; I353-F514 HydrophobicContact CB-CD2 3.92Å; I353-F514 HydrophobicContact CB-CG 4.21Å; I353-F514 HydrophobicContact CD1-CD2 3.92Å; I353-F514 HydrophobicContact CD1-CE2 4.25Å; I353-F514 HydrophobicContact CG1-CD2 4.48Å; I353-F514 HydrophobicContact CG2-CB 3.79Å; I353-F514 HydrophobicContact CG2-CD2 4.12Å; I353-F514 HydrophobicContact CG2-CG 4.19Å; P354-F514 HydrophobicContact CB-CE1 4.41Å; P354-F514 HydrophobicContact CG-CD1 4.29Å; P354-F514 HydrophobicContact CG-CE1 4.05Å; Q358-F514 HydrophobicContact CG-CE1 4.28Å; Q358-F514 HydrophobicContact CG-CZ 3.99Å; R510-F514 HydrophobicContact CB-CD2 4.38Å; R510-F514 HydrophobicContact CB-CE2 4.46Å; R510-F514 WeakPolarHBondContact O-CD2 3.5Å; R510-F514 PolarHBondContact O-N 2.91Å; F514-Q517 PolarHBondContact O-N 3.34Å; F514-A518 WeakPolarHBondContact O-CB 3.18Å; F514-A518 PolarHBondContact O-N 3.32Å
515	A	96.9	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.6	-46.1	179	0	0	0	0	0	112.1	I203 W212 V272 L351 T511 V512 Q517 A518 E519	I203-A515 HydrophobicContact CD1-CB 4.1Å; W212-A515 HydrophobicContact CH2-CB 4Å; W212-A515 HydrophobicContact CZ2-CB 4.43Å; V272-A515 HydrophobicContact CB-CB 4.41Å; V272-A515 HydrophobicContact CG2-CB 3.79Å; L351-A515 HydrophobicContact CD1-CB 3.74Å; T511-A515 WeakPolarHBondContact O-CB 3.44Å; T511-A515 PolarHBondContact O-N 2.74Å; T511-A515 VanDerWaalsContact O-N 3.13Å; V512-A515 PolarHBondContact O-N 2.98Å; A515-Q517 PolarHBondContact O-N 3.49Å; A515-A518 PolarHBondContact O-N 3.03Å; A515-E519 WeakPolarHBondContact O-CB 3.21Å; A515-E519 PolarHBondContact O-N 3.15Å
516	L	97	Very high	96.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-62.1	-43.9	175.9	176	52.8	0	0	0	111.8	V367 I474 Q478 V512 A518 E519 M520	V367-L516 HydrophobicContact CG1-CD2 4.21Å; V367-L516 HydrophobicContact CG2-CD2 3.88Å; I474-L516 HydrophobicContact CG2-CD1 3.57Å; Q478-L516 HydrophobicContact CB-CD2 3.55Å; Q478-L516 HydrophobicContact CG-CD2 3.94Å; V512-L516 PolarHBondContact O-N 3.35Å; L516-A518 VanDerWaalsContact C-N 3.34Å; L516-A518 PolarHBondContact O-N 3.05Å; L516-E519 WeakPolarHBondContact O-CB 3.48Å; L516-E519 PolarHBondContact O-N 3.49Å; L516-M520 HydrophobicContact CD1-CG 4.04Å; L516-M520 HydrophobicContact CD1-SD 4.07Å; L516-M520 HydrophobicContact CG-CG 4.44Å; L516-M520 HydrophobicContact CG-SD 3.88Å; L516-M520 VanDerWaalsContact O-CG 3.23Å; L516-M520 WeakPolarHBondContact O-CG 3.47Å; L516-M520 PolarHBondContact O-N 3.02Å
517	Q	97.5	Very high	96.5	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	12%	0.12	C	C	.	.	H	α-helix	trans	-63.6	-40.7	177.1	-75.1	175.5	85.6	0	0	112.1	P210 G513 F514 A515 E519 M520 S521	P210-Q517 HydrophobicContact CB-CB 3.87Å; P210-Q517 HydrophobicContact CG-CB 3.89Å; G513-Q517 WeakPolarHBondContact O-CB 3.34Å; G513-Q517 VanDerWaalsContact O-CG 3.29Å; G513-Q517 WeakPolarHBondContact O-CG 3.22Å; G513-Q517 PolarHBondContact O-N 3.27Å; G513-Q517 VanDerWaalsContact O-N 3.07Å; G513-Q517 PolarHBondContact O-NE2 2.89Å; G513-Q517 VanDerWaalsContact O-NE2 3.08Å; F514-Q517 PolarHBondContact O-N 3.34Å; A515-Q517 PolarHBondContact O-N 3.49Å; Q517-E519 VanDerWaalsContact C-N 3.3Å; Q517-E519 PolarHBondContact O-N 3.37Å; Q517-M520 PolarHBondContact O-N 3.05Å; Q517-S521 WeakPolarHBondContact O-CB 3.44Å; Q517-S521 PolarHBondContact O-N 2.81Å; Q517-S521 PolarHBondContact O-OG 3.13Å
518	A	98	Very high	96.7	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-40	175	0	0	0	0	0	111.8	I203 W212 F514 A515 L516 S521 H522	I203-A518 HydrophobicContact CD1-CB 4.37Å; I203-A518 HydrophobicContact CG1-CB 4.18Å; I203-A518 HydrophobicContact CG2-CB 4.08Å; W212-A518 HydrophobicContact CD2-CB 3.75Å; W212-A518 HydrophobicContact CE3-CB 4.27Å; W212-A518 HydrophobicContact CG-CB 3.97Å; W212-A518 HydrophobicContact CZ2-CB 4.2Å; F514-A518 WeakPolarHBondContact O-CB 3.18Å; F514-A518 PolarHBondContact O-N 3.32Å; A515-A518 PolarHBondContact O-N 3.03Å; L516-A518 VanDerWaalsContact C-N 3.34Å; L516-A518 PolarHBondContact O-N 3.05Å; A518-S521 WeakPolarHBondContact O-CB 3.32Å; A518-S521 PolarHBondContact O-N 3.19Å; A518-H522 PolarHBondContact O-N 3.33Å
519	E	98.1	Very high	96.8	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-66	-45.3	175.6	-172.4	62.2	-167.2	0	0	112.5	W212 S274 H309 F471 A515 L516 Q517 S521 H522 F523	W212-E519 PolarHBondContact NE1-OE2 3.27Å; S274-E519 WeakPolarHBondContact CB-OE1 3.46Å; S274-E519 PolarHBondContact N-OE1 2.85Å; H309-E519 IonicContact CE1-OE2 3.54Å; H309-E519 IonicContact NE2-OE1 2.72Å; H309-E519 IonicContact NE2-OE2 3.52Å; H309-E519 PolarHBondContact NE2-OE2 2.91Å; F471-E519 HydrophobicContact CE1-CG 4.14Å; F471-E519 HydrophobicContact CZ-CG 4.43Å; A515-E519 WeakPolarHBondContact O-CB 3.21Å; A515-E519 PolarHBondContact O-N 3.15Å; L516-E519 WeakPolarHBondContact O-CB 3.48Å; L516-E519 PolarHBondContact O-N 3.49Å; Q517-E519 VanDerWaalsContact C-N 3.3Å; Q517-E519 PolarHBondContact O-N 3.37Å; E519-S521 VanDerWaalsContact C-N 3.3Å; E519-S521 PolarHBondContact O-N 3.49Å; E519-H522 PolarHBondContact O-N 3.31Å; E519-F523 WeakPolarHBondContact O-CB 3.35Å; E519-F523 PolarHBondContact O-N 2.86Å
520	M	97.9	Very high	97	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.025	14%	0.135	C	C	.	.	H	α-helix	trans	-58.5	-43.7	174	-70.4	165.5	46.4	0	0	111.3	R366 F370 L516 Q517 F523 H524	R366-M520 HydrophobicContact CG-CE 4.12Å; F370-M520 HydrophobicContact CB-CE 3.31Å; F370-M520 HydrophobicContact CB-SD 4Å; F370-M520 HydrophobicContact CD1-CE 4.26Å; F370-M520 HydrophobicContact CD1-CG 3.79Å; F370-M520 HydrophobicContact CD1-SD 3.95Å; F370-M520 HydrophobicContact CD2-CB 4.18Å; F370-M520 HydrophobicContact CD2-CE 3.73Å; F370-M520 HydrophobicContact CD2-CG 3.83Å; F370-M520 HydrophobicContact CD2-SD 4.31Å; F370-M520 HydrophobicContact CE1-CG 3.84Å; F370-M520 HydrophobicContact CE2-CB 4.09Å; F370-M520 HydrophobicContact CE2-CG 3.85Å; F370-M520 HydrophobicContact CG-CE 3.49Å; F370-M520 VanDerWaalsContact CG-CE 3.49Å; F370-M520 HydrophobicContact CG-CG 3.8Å; F370-M520 HydrophobicContact CG-SD 3.81Å; F370-M520 HydrophobicContact CZ-CB 4.46Å; F370-M520 HydrophobicContact CZ-CG 3.86Å; L516-M520 HydrophobicContact CD1-CG 4.04Å; L516-M520 HydrophobicContact CD1-SD 4.07Å; L516-M520 HydrophobicContact CG-CG 4.44Å; L516-M520 HydrophobicContact CG-SD 3.88Å; L516-M520 VanDerWaalsContact O-CG 3.23Å; L516-M520 WeakPolarHBondContact O-CG 3.47Å; L516-M520 PolarHBondContact O-N 3.02Å; Q517-M520 PolarHBondContact O-N 3.05Å; M520-F523 PolarHBondContact O-N 3.15Å; M520-H524 PolarHBondContact O-CD2 3.12Å; M520-H524 PolarHBondContact O-N 2.72Å
521	S	97.7	Very high	97.1	Very high	11 Å²	11	28.3 Å²	28.3	8%	0.077	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-47.7	176	-66.6	0	0	0	0	111.3	P210 Q517 A518 E519 F523 H524 Q525	P210-S521 WeakPolarHBondContact O-CB 3.4Å; P210-S521 PolarHBondContact O-OG 2.73Å; Q517-S521 WeakPolarHBondContact O-CB 3.44Å; Q517-S521 PolarHBondContact O-N 2.81Å; Q517-S521 PolarHBondContact O-OG 3.13Å; A518-S521 WeakPolarHBondContact O-CB 3.32Å; A518-S521 PolarHBondContact O-N 3.19Å; E519-S521 VanDerWaalsContact C-N 3.3Å; E519-S521 PolarHBondContact O-N 3.49Å; S521-F523 PolarHBondContact O-N 2.65Å; S521-H524 PolarHBondContact O-N 3.21Å; S521-Q525 VanDerWaalsContact O-CG 3.29Å; S521-Q525 WeakPolarHBondContact O-CG 3.42Å; S521-Q525 PolarHBondContact O-N 3.49Å
522	H	97.6	Very high	97.3	Very high	15 Å²	15	33.5 Å²	33.5	7%	0.069	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-45	177.2	-179.7	62.2	0	0	0	112	H309 A518 E519 H524 Q525 Q526	H309-H522 AromaticContact CD2-CD2 3.32Å; H309-H522 PolarHBondContact CD2-CD2 3.36Å; H309-H522 AromaticContact CD2-NE2 3.37Å; H309-H522 PolarHBondContact CD2-NE2 3.37Å; H309-H522 AromaticContact CG-NE2 3.8Å; H309-H522 AromaticContact NE2-CD2 3.66Å; A518-H522 PolarHBondContact O-N 3.33Å; E519-H522 PolarHBondContact O-N 3.31Å; H522-H524 VanDerWaalsContact C-N 3.33Å; H522-H524 PolarHBondContact O-N 3.13Å; H522-Q525 PolarHBondContact O-N 3.37Å; H522-Q526 WeakPolarHBondContact O-CB 3.36Å; H522-Q526 PolarHBondContact O-N 3.27Å
523	F	98.1	Very high	97.4	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.035	18%	0.178	C	C	.	.	H	α-helix	trans	-56.4	-46.2	175.9	176.6	-94.1	0	0	0	111.8	F370 F373 M377 Y464 L467 L468 F471 E519 M520 S521 R527	F370-F523 HydrophobicContact CE2-CD1 4.22Å; F370-F523 HydrophobicContact CZ-CD1 4.32Å; F373-F523 HydrophobicContact CE1-CD1 4.43Å; F373-F523 AromaticContact CE1-CE1 3.83Å; F373-F523 HydrophobicContact CE1-CE1 3.83Å; F373-F523 HydrophobicContact CZ-CE1 4.15Å; M377-F523 HydrophobicContact CE-CZ 4.1Å; M377-F523 HydrophobicContact SD-CE1 3.89Å; M377-F523 HydrophobicContact SD-CZ 3.77Å; Y464-F523 AromaticContact CD1-CE2 3.75Å; Y464-F523 HydrophobicContact CD1-CE2 3.75Å; Y464-F523 AromaticContact CD1-CZ 3.88Å; Y464-F523 HydrophobicContact CD1-CZ 3.88Å; Y464-F523 AromaticContact CE1-CE2 3.8Å; Y464-F523 HydrophobicContact CE1-CE2 3.8Å; Y464-F523 HydrophobicContact CE1-CZ 4.03Å; L467-F523 HydrophobicContact CB-CD2 4.49Å; L467-F523 HydrophobicContact CB-CE2 4.08Å; L467-F523 HydrophobicContact CD1-CE2 4.4Å; L468-F523 HydrophobicContact CD2-CE1 4.44Å; L468-F523 HydrophobicContact CD2-CE2 4.33Å; L468-F523 HydrophobicContact CD2-CZ 3.73Å; L468-F523 HydrophobicContact CG-CZ 4.2Å; F471-F523 HydrophobicContact CE2-CB 4.44Å; F471-F523 HydrophobicContact CE2-CD1 4.48Å; F471-F523 AromaticContact CE2-CD2 3.62Å; F471-F523 HydrophobicContact CE2-CD2 3.62Å; F471-F523 AromaticContact CE2-CE2 3.92Å; F471-F523 HydrophobicContact CE2-CE2 3.92Å; F471-F523 AromaticContact CE2-CG 3.92Å; F471-F523 HydrophobicContact CE2-CG 3.92Å; F471-F523 HydrophobicContact CE2-CZ 4.49Å; F471-F523 HydrophobicContact CZ-CB 3.94Å; F471-F523 AromaticContact CZ-CD2 3.97Å; F471-F523 HydrophobicContact CZ-CD2 3.97Å; F471-F523 AromaticContact CZ-CG 3.93Å; F471-F523 HydrophobicContact CZ-CG 3.93Å; E519-F523 WeakPolarHBondContact O-CB 3.35Å; E519-F523 PolarHBondContact O-N 2.86Å; M520-F523 PolarHBondContact O-N 3.15Å; S521-F523 PolarHBondContact O-N 2.65Å; F523-R527 WeakPolarHBondContact O-CB 3.44Å; F523-R527 PolarHBondContact O-N 3.1Å
524	H	97.9	Very high	97.5	Very high	54 Å²	54	37.7 Å²	37.7	25%	0.25	18%	0.18	C	C	.	.	H	α-helix	trans	-66.1	-42.9	179.2	-74.9	-52.8	0	0	0	113.2	F370 F373 M520 S521 H522 R527 E528	F370-H524 AromaticContact CD2-NE2 3.52Å; F370-H524 AromaticContact CE2-CE1 3.91Å; F370-H524 AromaticContact CE2-NE2 3.56Å; F373-H524 AromaticContact CD1-CE1 3.74Å; F373-H524 AromaticContact CE1-CE1 3.36Å; F373-H524 WeakPolarHBondContact CE1-CE1 3.27Å; F373-H524 AromaticContact CZ-CE1 3.72Å; M520-H524 PolarHBondContact O-CD2 3.12Å; M520-H524 PolarHBondContact O-N 2.72Å; S521-H524 PolarHBondContact O-N 3.21Å; H522-H524 VanDerWaalsContact C-N 3.33Å; H522-H524 PolarHBondContact O-N 3.13Å; H524-R527 VanDerWaalsContact ND1-CZ 3.32Å; H524-R527 PolarHBondContact ND1-NH1 3.24Å; H524-R527 VanDerWaalsContact ND1-NH1 3.18Å; H524-R527 PolarHBondContact ND1-NH2 2.92Å; H524-R527 PolarHBondContact O-N 3.39Å; H524-E528 PolarHBondContact O-N 3.48Å; H524-E528 VanDerWaalsContact O-N 3.11Å
525	Q	96.4	Very high	97.6	Very high	94 Å²	94	41.5 Å²	41.5	44%	0.439	20%	0.198	S	C	.	.	H	α-helix	trans	-59.4	-49.4	176.7	-71.8	170.7	8.3	0	0	110.7	S521 H522 E528 V529	S521-Q525 VanDerWaalsContact O-CG 3.29Å; S521-Q525 WeakPolarHBondContact O-CG 3.42Å; S521-Q525 PolarHBondContact O-N 3.49Å; H522-Q525 PolarHBondContact O-N 3.37Å; Q525-E528 PolarHBondContact O-N 3.15Å; Q525-V529 PolarHBondContact O-N 3.08Å
526	Q	96.5	Very high	97.6	Very high	37 Å²	37	44.9 Å²	44.9	17%	0.173	21%	0.214	C	C	.	.	H	α-helix	trans	-67.5	-41.5	-179.1	-169.6	57	44.5	0	0	111.8	Y464 H522 E528 V529 D530	Y464-Q526 PolarHBondContact OH-O 2.85Å; H522-Q526 WeakPolarHBondContact O-CB 3.36Å; H522-Q526 PolarHBondContact O-N 3.27Å; Q526-E528 VanDerWaalsContact C-N 3.32Å; Q526-E528 PolarHBondContact O-N 3.43Å; Q526-V529 PolarHBondContact O-N 3.41Å; Q526-D530 WeakPolarHBondContact CG-OD2 3.32Å; Q526-D530 VanDerWaalsContact NE2-CG 3.28Å; Q526-D530 PolarHBondContact NE2-OD1 2.89Å; Q526-D530 PolarHBondContact NE2-OD2 3.48Å; Q526-D530 WeakPolarHBondContact O-CB 3.26Å; Q526-D530 PolarHBondContact O-N 2.9Å
527	R	97.3	Very high	97.7	Very high	66 Å²	66	46.5 Å²	46.5	25%	0.249	23%	0.228	C	C	.	.	H	α-helix	trans	-53.3	-46.2	174.4	-179.2	-157.2	64.8	-177.3	-3.5	112.7	M377 Y464 F523 H524 F531	M377-R527 HydrophobicContact CE-CG 3.76Å; Y464-R527 HydrophobicContact CE1-CB 3.89Å; Y464-R527 HydrophobicContact CE1-CG 4.12Å; Y464-R527 WeakPolarHBondContact OH-CA 3.41Å; Y464-R527 PolarHBondContact OH-N 3.32Å; F523-R527 WeakPolarHBondContact O-CB 3.44Å; F523-R527 PolarHBondContact O-N 3.1Å; H524-R527 VanDerWaalsContact ND1-CZ 3.32Å; H524-R527 PolarHBondContact ND1-NH1 3.24Å; H524-R527 VanDerWaalsContact ND1-NH1 3.18Å; H524-R527 PolarHBondContact ND1-NH2 2.92Å; H524-R527 PolarHBondContact O-N 3.39Å; R527-F531 HydrophobicContact CG-CD2 3.84Å; R527-F531 HydrophobicContact CG-CE2 4.09Å; R527-F531 WeakPolarHBondContact O-CB 3.42Å; R527-F531 WeakPolarHBondContact O-CD2 3.4Å; R527-F531 PolarHBondContact O-N 3.38Å
528	E	97.6	Very high	97.7	Very high	139 Å²	139	48.7 Å²	48.7	65%	0.65	24%	0.236	S	C	*	.	H	α-helix	trans	-63.3	-45.1	-178.4	-171.9	173.8	161.7	0	0	111.9	H524 Q525 Q526 K532	H524-E528 PolarHBondContact O-N 3.48Å; H524-E528 VanDerWaalsContact O-N 3.11Å; Q525-E528 PolarHBondContact O-N 3.15Å; Q526-E528 VanDerWaalsContact C-N 3.32Å; Q526-E528 PolarHBondContact O-N 3.43Å; E528-K532 WeakPolarHBondContact O-CB 3.36Å; E528-K532 PolarHBondContact O-N 3.29Å; E528-K532 VanDerWaalsContact O-N 3.11Å
529	V	97.1	Very high	97.7	Very high	74 Å²	74	53.3 Å²	53.3	45%	0.448	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-52.1	177	177.7	0	0	0	0	110.8	Q525 Q526 F531 K532 D533	Q525-V529 PolarHBondContact O-N 3.08Å; Q526-V529 PolarHBondContact O-N 3.41Å; V529-F531 PolarHBondContact O-N 3.13Å; V529-K532 PolarHBondContact O-N 3.3Å; V529-D533 WeakPolarHBondContact O-CB 3.36Å; V529-D533 PolarHBondContact O-N 2.89Å
530	D	97.4	Very high	97.7	Very high	12 Å²	12	60.2 Å²	60.2	6%	0.064	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-42.5	-174.3	-81.8	-38.4	0	0	0	113	K460 Y464 Q526 D533 M534	K460-D530 IonicContact NZ-OD1 3.83Å; K460-D530 PolarHBondContact NZ-OD1 3.36Å; Y464-D530 HydrophobicContact CE2-CB 3.87Å; Y464-D530 WeakPolarHBondContact OH-CB 3.44Å; Y464-D530 PolarHBondContact OH-OD2 2.94Å; Q526-D530 WeakPolarHBondContact CG-OD2 3.32Å; Q526-D530 VanDerWaalsContact NE2-CG 3.28Å; Q526-D530 PolarHBondContact NE2-OD1 2.89Å; Q526-D530 PolarHBondContact NE2-OD2 3.48Å; Q526-D530 WeakPolarHBondContact O-CB 3.26Å; Q526-D530 PolarHBondContact O-N 2.9Å; D530-D533 PolarHBondContact O-N 2.69Å; D530-M534 WeakPolarHBondContact O-CB 3.47Å; D530-M534 PolarHBondContact O-N 3Å
531	F	98.1	Very high	97.8	Very high	53 Å²	53	63.1 Å²	63.1	23%	0.232	30%	0.3	C	S	.	.	H	α-helix	trans	-70.7	-36	178.4	-86.9	-103.9	0	0	0	111.8	M377 V381 L461 Y464 R527 V529 M534 M535	M377-F531 HydrophobicContact CE-CE2 3.66Å; M377-F531 HydrophobicContact CE-CZ 3.79Å; V381-F531 HydrophobicContact CG2-CZ 4.25Å; L461-F531 HydrophobicContact CD2-CE1 4.35Å; L461-F531 HydrophobicContact CD2-CZ 4.3Å; Y464-F531 HydrophobicContact CD1-CE2 4.11Å; Y464-F531 HydrophobicContact CD2-CD2 4.43Å; Y464-F531 AromaticContact CD2-CE2 3.63Å; Y464-F531 HydrophobicContact CD2-CE2 3.63Å; Y464-F531 HydrophobicContact CD2-CZ 4.37Å; Y464-F531 HydrophobicContact CE1-CE2 4.19Å; Y464-F531 HydrophobicContact CE2-CD2 4.09Å; Y464-F531 AromaticContact CE2-CE2 3.71Å; Y464-F531 HydrophobicContact CE2-CE2 3.71Å; Y464-F531 AromaticContact CG-CE2 3.86Å; Y464-F531 HydrophobicContact CG-CE2 3.86Å; Y464-F531 HydrophobicContact CG-CZ 4.46Å; R527-F531 HydrophobicContact CG-CD2 3.84Å; R527-F531 HydrophobicContact CG-CE2 4.09Å; R527-F531 WeakPolarHBondContact O-CB 3.42Å; R527-F531 WeakPolarHBondContact O-CD2 3.4Å; R527-F531 PolarHBondContact O-N 3.38Å; V529-F531 PolarHBondContact O-N 3.13Å; F531-M534 HydrophobicContact CD1-CE 3.51Å; F531-M534 HydrophobicContact CE1-CE 3.75Å; F531-M534 HydrophobicContact CG-CE 4.15Å; F531-M535 WeakPolarHBondContact O-CB 3.19Å; F531-M535 VanDerWaalsContact O-CG 3.22Å; F531-M535 WeakPolarHBondContact O-CG 3.37Å; F531-M535 PolarHBondContact O-N 3.07Å
532	K	98.4	Very high	97.8	Very high	125 Å²	125	63.6 Å²	63.6	54%	0.543	30%	0.301	S	S	.	.	H	α-helix	trans	-60.2	-51.7	173	176.8	-175.1	173.6	-173.8	0	110.6	E528 V529 M534 M535 Q536	E528-K532 WeakPolarHBondContact O-CB 3.36Å; E528-K532 PolarHBondContact O-N 3.29Å; E528-K532 VanDerWaalsContact O-N 3.11Å; V529-K532 PolarHBondContact O-N 3.3Å; K532-M534 PolarHBondContact O-N 3.06Å; K532-M535 PolarHBondContact O-N 3.46Å; K532-Q536 WeakPolarHBondContact O-CB 3.46Å; K532-Q536 WeakPolarHBondContact O-CG 3.49Å; K532-Q536 PolarHBondContact O-N 3.3Å
533	D	97.4	Very high	97.9	Very high	79 Å²	79	67.5 Å²	67.5	42%	0.422	32%	0.321	S	S	.	.	H	α-helix	trans	-64.9	-41.8	-178	-71.5	-10.6	0	0	0	111.4	V529 D530 M535 Q536 A537	V529-D533 WeakPolarHBondContact O-CB 3.36Å; V529-D533 PolarHBondContact O-N 2.89Å; D530-D533 PolarHBondContact O-N 2.69Å; D533-M535 PolarHBondContact O-N 3.28Å; D533-Q536 PolarHBondContact O-N 2.8Å; D533-A537 VanDerWaalsContact O-CB 3.32Å; D533-A537 WeakPolarHBondContact O-CB 3.24Å; D533-A537 PolarHBondContact O-N 3.32Å
534	M	97.6	Very high	97.9	Very high	12 Å²	12	68.8 Å²	68.8	6%	0.059	33%	0.334	C	S	.	.	H	α-helix	trans	-57.8	-49.5	175	-179.9	-175.2	72.7	0	0	111.8	M457 K460 L461 D530 F531 K532 A537 Y538	M457-M534 HydrophobicContact CB-CG 4.35Å; M457-M534 HydrophobicContact CB-SD 4.41Å; M457-M534 HydrophobicContact CG-CG 4.19Å; M457-M534 HydrophobicContact CG-SD 3.8Å; K460-M534 HydrophobicContact CB-CG 4.42Å; K460-M534 HydrophobicContact CB-SD 3.83Å; L461-M534 HydrophobicContact CD2-CE 4.42Å; L461-M534 HydrophobicContact CD2-SD 4.36Å; L461-M534 HydrophobicContact CG-SD 4.42Å; D530-M534 WeakPolarHBondContact O-CB 3.47Å; D530-M534 PolarHBondContact O-N 3Å; F531-M534 HydrophobicContact CD1-CE 3.51Å; F531-M534 HydrophobicContact CE1-CE 3.75Å; F531-M534 HydrophobicContact CG-CE 4.15Å; K532-M534 PolarHBondContact O-N 3.06Å; M534-A537 PolarHBondContact O-N 3.33Å; M534-Y538 WeakPolarHBondContact O-CB 3.36Å; M534-Y538 PolarHBondContact O-N 3.03Å
535	M	98.3	Very high	97.9	Very high	81 Å²	81	66.2 Å²	66.2	40%	0.399	32%	0.322	S	S	.	.	H	α-helix	trans	-69.6	-37.2	-178.5	-68.1	-53.5	-60.9	0	0	112	M457 F531 K532 D533 L539	M457-M535 HydrophobicContact CE-SD 4.25Å; F531-M535 WeakPolarHBondContact O-CB 3.19Å; F531-M535 VanDerWaalsContact O-CG 3.22Å; F531-M535 WeakPolarHBondContact O-CG 3.37Å; F531-M535 PolarHBondContact O-N 3.07Å; K532-M535 PolarHBondContact O-N 3.46Å; D533-M535 PolarHBondContact O-N 3.28Å; M535-L539 WeakPolarHBondContact O-CB 3.38Å; M535-L539 VanDerWaalsContact O-CG 3.32Å; M535-L539 WeakPolarHBondContact O-CG 3.47Å; M535-L539 PolarHBondContact O-N 3.07Å
536	Q	98.4	Very high	98	Very high	72 Å²	72	67.4 Å²	67.4	34%	0.336	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-44.8	174.4	-74.5	-170	2	0	0	112.1	K532 D533 R540	K532-Q536 WeakPolarHBondContact O-CB 3.46Å; K532-Q536 WeakPolarHBondContact O-CG 3.49Å; K532-Q536 PolarHBondContact O-N 3.3Å; D533-Q536 PolarHBondContact O-N 2.8Å; Q536-R540 WeakPolarHBondContact O-CB 3.24Å; Q536-R540 VanDerWaalsContact O-CG 3.26Å; Q536-R540 WeakPolarHBondContact O-CG 3.19Å; Q536-R540 PolarHBondContact O-N 3.24Å
537	A	97.6	Very high	98.1	Very high	35 Å²	35	71 Å²	71	29%	0.289	34%	0.34	S	S	.	.	H	α-helix	trans	-61	-49.3	177.4	0	0	0	0	0	111	D533 M534 L539 R540 E541	D533-A537 VanDerWaalsContact O-CB 3.32Å; D533-A537 WeakPolarHBondContact O-CB 3.24Å; D533-A537 PolarHBondContact O-N 3.32Å; M534-A537 PolarHBondContact O-N 3.33Å; A537-L539 PolarHBondContact O-N 3.01Å; A537-R540 PolarHBondContact O-N 3.31Å; A537-E541 WeakPolarHBondContact O-CG 3.42Å; A537-E541 PolarHBondContact O-N 3.48Å
538	Y	98.3	Very high	98.1	Very high	47 Å²	47	72.4 Å²	72.4	18%	0.184	35%	0.345	C	S	.	.	H	α-helix	trans	-55.3	-50.5	177.7	175.9	-101.5	0	0	0	112.4	D453 L454 M457 M534 R540 E541 Q542	D453-Y538 HydrophobicContact CB-CD2 3.88Å; D453-Y538 HydrophobicContact CB-CE2 4.37Å; L454-Y538 HydrophobicContact CD2-CD2 4.5Å; L454-Y538 HydrophobicContact CD2-CE2 3.78Å; L454-Y538 HydrophobicContact CG-CE2 4.4Å; M457-Y538 HydrophobicContact CE-CD1 3.96Å; M457-Y538 HydrophobicContact CE-CD2 3.46Å; M457-Y538 VanDerWaalsContact CE-CD2 3.46Å; M457-Y538 HydrophobicContact CE-CE1 4.49Å; M457-Y538 HydrophobicContact CE-CE2 4.08Å; M457-Y538 HydrophobicContact CE-CG 3.41Å; M457-Y538 VanDerWaalsContact CE-CG 3.41Å; M534-Y538 WeakPolarHBondContact O-CB 3.36Å; M534-Y538 PolarHBondContact O-N 3.03Å; Y538-R540 PolarHBondContact O-N 3.2Å; Y538-E541 PolarHBondContact O-N 2.87Å; Y538-Q542 HydrophobicContact CD1-CG 4.35Å; Y538-Q542 HydrophobicContact CD2-CG 4.35Å; Y538-Q542 HydrophobicContact CE1-CG 3.94Å; Y538-Q542 HydrophobicContact CE2-CG 3.91Å; Y538-Q542 WeakPolarHBondContact O-CB 3.42Å; Y538-Q542 VanDerWaalsContact O-CG 3.28Å; Y538-Q542 WeakPolarHBondContact O-CG 3.19Å; Y538-Q542 PolarHBondContact O-N 3.39Å
539	L	98.6	Very high	98.2	Very high	97 Å²	97	66.6 Å²	66.6	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-67.4	-37.7	-177.6	-70	173.1	0	0	0	112.6	M535 A537 Q542 I543	M535-L539 WeakPolarHBondContact O-CB 3.38Å; M535-L539 VanDerWaalsContact O-CG 3.32Å; M535-L539 WeakPolarHBondContact O-CG 3.47Å; M535-L539 PolarHBondContact O-N 3.07Å; A537-L539 PolarHBondContact O-N 3.01Å; L539-Q542 PolarHBondContact O-N 3.14Å; L539-I543 WeakPolarHBondContact O-CB 3.43Å; L539-I543 WeakPolarHBondContact O-CD1 3.31Å; L539-I543 WeakPolarHBondContact O-CG1 3.4Å; L539-I543 PolarHBondContact O-N 2.92Å
540	R	98.6	Very high	98.3	Very high	148 Å²	148	66.5 Å²	66.5	56%	0.558	32%	0.318	S	S	*	.	H	α-helix	trans	-62.1	-45.6	176.1	-75.5	177.4	-172.4	126.1	6.1	111.4	Q536 A537 Y538 I543 A544	Q536-R540 WeakPolarHBondContact O-CB 3.24Å; Q536-R540 VanDerWaalsContact O-CG 3.26Å; Q536-R540 WeakPolarHBondContact O-CG 3.19Å; Q536-R540 PolarHBondContact O-N 3.24Å; A537-R540 PolarHBondContact O-N 3.31Å; Y538-R540 PolarHBondContact O-N 3.2Å; R540-I543 PolarHBondContact O-N 3.24Å; R540-A544 WeakPolarHBondContact O-CB 3.24Å; R540-A544 PolarHBondContact O-N 2.95Å
541	E	98.3	Very high	98.3	Very high	66 Å²	66	69.9 Å²	69.9	31%	0.308	33%	0.334	S	S	.	.	H	α-helix	trans	-67.4	-38.2	178.8	-70.1	-56.5	141.9	0	0	112.3	Q449 D453 A537 Y538 A544 F545	Q449-E541 PolarHBondContact NE2-O 3.4Å; D453-E541 HydrophobicContact CB-CB 3.91Å; A537-E541 WeakPolarHBondContact O-CG 3.42Å; A537-E541 PolarHBondContact O-N 3.48Å; Y538-E541 PolarHBondContact O-N 2.87Å; E541-A544 PolarHBondContact O-N 2.74Å; E541-F545 VanDerWaalsContact O-CB 3.28Å; E541-F545 WeakPolarHBondContact O-CB 3.48Å; E541-F545 PolarHBondContact O-N 3.42Å
542	Q	98.4	Very high	98.3	Very high	21 Å²	21	69.2 Å²	69.2	10%	0.098	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-44.3	173.5	-74.7	-72.8	-54.5	0	0	112	D453 Y538 L539 F545 Y546	D453-Q542 PolarHBondContact OD2-NE2 3.49Å; Y538-Q542 HydrophobicContact CD1-CG 4.35Å; Y538-Q542 HydrophobicContact CD2-CG 4.35Å; Y538-Q542 HydrophobicContact CE1-CG 3.94Å; Y538-Q542 HydrophobicContact CE2-CG 3.91Å; Y538-Q542 WeakPolarHBondContact O-CB 3.42Å; Y538-Q542 VanDerWaalsContact O-CG 3.28Å; Y538-Q542 WeakPolarHBondContact O-CG 3.19Å; Y538-Q542 PolarHBondContact O-N 3.39Å; L539-Q542 PolarHBondContact O-N 3.14Å; Q542-F545 WeakPolarHBondContact O-CB 3.4Å; Q542-F545 PolarHBondContact O-N 3.41Å; Q542-Y546 WeakPolarHBondContact O-CD2 3.43Å; Q542-Y546 PolarHBondContact O-N 2.92Å
543	I	98.7	Very high	98.3	Very high	98 Å²	98	66.5 Å²	66.5	50%	0.503	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-50.5	175.3	-70.6	163.1	0	0	0	110.2	L539 R540 F545 Y546 Q547	L539-I543 WeakPolarHBondContact O-CB 3.43Å; L539-I543 WeakPolarHBondContact O-CD1 3.31Å; L539-I543 WeakPolarHBondContact O-CG1 3.4Å; L539-I543 PolarHBondContact O-N 2.92Å; R540-I543 PolarHBondContact O-N 3.24Å; I543-F545 VanDerWaalsContact C-N 3.27Å; I543-F545 PolarHBondContact O-N 2.73Å; I543-Y546 PolarHBondContact O-N 3.49Å; I543-Q547 HydrophobicContact CG2-CG 4.41Å; I543-Q547 WeakPolarHBondContact O-CB 3.42Å; I543-Q547 VanDerWaalsContact O-CG 3.29Å; I543-Q547 WeakPolarHBondContact O-CG 3.5Å; I543-Q547 PolarHBondContact O-N 2.93Å
544	A	98.5	Very high	98.3	Very high	35 Å²	35	67.2 Å²	67.2	29%	0.289	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-37.3	179.7	0	0	0	0	0	112.1	R540 E541 R548	R540-A544 WeakPolarHBondContact O-CB 3.24Å; R540-A544 PolarHBondContact O-N 2.95Å; E541-A544 PolarHBondContact O-N 2.74Å; A544-R548 WeakPolarHBondContact O-CG 3.43Å; A544-R548 PolarHBondContact O-N 2.94Å; A544-R548 VanDerWaalsContact O-N 3.11Å; A544-R548 PolarHBondContact O-NE 2.87Å
545	F	98.4	Very high	98.3	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.6	-56	175	173.1	-106.1	0	0	0	112.3	M445 F446 Q449 E541 Q542 I543 Q547 R548 V549	M445-F545 HydrophobicContact CB-CE2 4.02Å; F446-F545 HydrophobicContact CD1-CE1 4.05Å; F446-F545 AromaticContact CD1-CZ 3.65Å; F446-F545 HydrophobicContact CD1-CZ 3.65Å; F446-F545 AromaticContact CD2-CZ 3.81Å; F446-F545 HydrophobicContact CD2-CZ 3.81Å; F446-F545 AromaticContact CE1-CE1 3.6Å; F446-F545 HydrophobicContact CE1-CE1 3.6Å; F446-F545 AromaticContact CE1-CZ 3.63Å; F446-F545 HydrophobicContact CE1-CZ 3.63Å; F446-F545 HydrophobicContact CE2-CE1 4.2Å; F446-F545 AromaticContact CE2-CZ 3.77Å; F446-F545 HydrophobicContact CE2-CZ 3.77Å; F446-F545 AromaticContact CG-CZ 3.74Å; F446-F545 HydrophobicContact CG-CZ 3.74Å; F446-F545 AromaticContact CZ-CE1 3.68Å; F446-F545 HydrophobicContact CZ-CE1 3.68Å; F446-F545 AromaticContact CZ-CZ 3.68Å; F446-F545 HydrophobicContact CZ-CZ 3.68Å; Q449-F545 HydrophobicContact CB-CD2 3.99Å; Q449-F545 HydrophobicContact CB-CE2 3.96Å; Q449-F545 HydrophobicContact CG-CB 4.33Å; Q449-F545 HydrophobicContact CG-CD1 4.39Å; Q449-F545 HydrophobicContact CG-CD2 3.79Å; Q449-F545 HydrophobicContact CG-CE2 4.19Å; Q449-F545 HydrophobicContact CG-CG 3.9Å; E541-F545 VanDerWaalsContact O-CB 3.28Å; E541-F545 WeakPolarHBondContact O-CB 3.48Å; E541-F545 PolarHBondContact O-N 3.42Å; Q542-F545 WeakPolarHBondContact O-CB 3.4Å; Q542-F545 PolarHBondContact O-N 3.41Å; I543-F545 VanDerWaalsContact C-N 3.27Å; I543-F545 PolarHBondContact O-N 2.73Å; F545-Q547 VanDerWaalsContact C-N 3.29Å; F545-Q547 PolarHBondContact O-N 2.64Å; F545-R548 WeakPolarHBondContact O-CB 3.35Å; F545-R548 PolarHBondContact O-N 3.36Å; F545-V549 HydrophobicContact CE1-CG2 4.14Å; F545-V549 HydrophobicContact CE2-CG2 4.14Å; F545-V549 HydrophobicContact CZ-CG2 3.89Å; F545-V549 PolarHBondContact O-N 3.28Å
546	Y	98.5	Very high	98.3	Very high	119 Å²	119	70 Å²	70	47%	0.467	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-33	-178.3	-73.7	-67.4	0	0	0	112.4	Q542 I543 R548 V549 V550	Q542-Y546 WeakPolarHBondContact O-CD2 3.43Å; Q542-Y546 PolarHBondContact O-N 2.92Å; I543-Y546 PolarHBondContact O-N 3.49Å; Y546-R548 PolarHBondContact O-N 3.42Å; Y546-V549 PolarHBondContact O-N 3.39Å; Y546-V550 WeakPolarHBondContact O-CG2 3.29Å; Y546-V550 PolarHBondContact O-N 3.27Å
547	Q	98.6	Very high	98.3	Very high	112 Å²	112	72 Å²	72	52%	0.523	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-42	171.3	-75.4	175.8	-18.3	0	0	112.3	I543 F545 V549 V550 Q551	I543-Q547 HydrophobicContact CG2-CG 4.41Å; I543-Q547 WeakPolarHBondContact O-CB 3.42Å; I543-Q547 VanDerWaalsContact O-CG 3.29Å; I543-Q547 WeakPolarHBondContact O-CG 3.5Å; I543-Q547 PolarHBondContact O-N 2.93Å; F545-Q547 VanDerWaalsContact C-N 3.29Å; F545-Q547 PolarHBondContact O-N 2.64Å; Q547-V549 VanDerWaalsContact C-N 3.34Å; Q547-V550 PolarHBondContact O-N 2.97Å; Q547-Q551 WeakPolarHBondContact O-CG 3.49Å; Q547-Q551 PolarHBondContact O-N 3.45Å
548	R	98.3	Very high	98.3	Very high	96 Å²	96	78.3 Å²	78.3	36%	0.362	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-39.5	174.8	-73.3	-177.6	-69.8	164.4	-1.4	111.6	M445 A544 F545 Y546 Q551 Q552	M445-R548 HydrophobicContact CE-CB 3.57Å; A544-R548 WeakPolarHBondContact O-CG 3.43Å; A544-R548 PolarHBondContact O-N 2.94Å; A544-R548 VanDerWaalsContact O-N 3.11Å; A544-R548 PolarHBondContact O-NE 2.87Å; F545-R548 WeakPolarHBondContact O-CB 3.35Å; F545-R548 PolarHBondContact O-N 3.36Å; Y546-R548 PolarHBondContact O-N 3.42Å; R548-Q551 PolarHBondContact O-N 3.26Å; R548-Q552 WeakPolarHBondContact O-CG 3.33Å; R548-Q552 PolarHBondContact O-N 3.24Å; R548-Q552 VanDerWaalsContact O-N 3.14Å
549	V	98.3	Very high	98.2	Very high	17 Å²	17	79.3 Å²	79.3	10%	0.103	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-47.4	175.5	174.3	0	0	0	0	110.7	I442 M445 F545 Y546 Q547 Q551 Q552 L553	I442-V549 HydrophobicContact CD1-CG1 4.2Å; I442-V549 HydrophobicContact CG1-CG1 4.4Å; I442-V549 HydrophobicContact CG2-CG1 4.33Å; M445-V549 HydrophobicContact CE-CG2 3.82Å; F545-V549 HydrophobicContact CE1-CG2 4.14Å; F545-V549 HydrophobicContact CE2-CG2 4.14Å; F545-V549 HydrophobicContact CZ-CG2 3.89Å; F545-V549 PolarHBondContact O-N 3.28Å; Y546-V549 PolarHBondContact O-N 3.39Å; Q547-V549 VanDerWaalsContact C-N 3.34Å; V549-Q551 VanDerWaalsContact C-N 3.31Å; V549-Q551 PolarHBondContact O-N 3.13Å; V549-Q552 WeakPolarHBondContact O-CB 3.31Å; V549-Q552 PolarHBondContact O-N 3.47Å; V549-Q552 VanDerWaalsContact O-N 3.12Å; V549-L553 HydrophobicContact CG1-CD1 4.26Å; V549-L553 PolarHBondContact O-N 3.21Å; V549-L553 VanDerWaalsContact O-N 3.13Å
550	V	98.6	Very high	98.2	Very high	72 Å²	72	78.3 Å²	78.3	44%	0.436	36%	0.355	S	S	.	.	H	α-helix	trans	-56.4	-45.8	176.2	169.4	0	0	0	0	110.9	Y546 Q547 Q552 L553 E554	Y546-V550 WeakPolarHBondContact O-CG2 3.29Å; Y546-V550 PolarHBondContact O-N 3.27Å; Q547-V550 PolarHBondContact O-N 2.97Å; V550-Q552 VanDerWaalsContact C-N 3.3Å; V550-Q552 PolarHBondContact O-N 3.35Å; V550-L553 PolarHBondContact O-N 3.12Å; V550-L553 VanDerWaalsContact O-N 3.12Å; V550-E554 HydrophobicContact CG1-CG 4.1Å; V550-E554 WeakPolarHBondContact O-CG 3.29Å; V550-E554 PolarHBondContact O-N 2.95Å
551	Q	98.3	Very high	98	Very high	82 Å²	82	76.7 Å²	76.7	38%	0.383	36%	0.358	S	S	.	.	H	α-helix	trans	-60.8	-35.8	177.9	-71.5	171.5	35.5	0	0	113.4	Q547 R548 V549 R555	Q547-Q551 WeakPolarHBondContact O-CG 3.49Å; Q547-Q551 PolarHBondContact O-N 3.45Å; R548-Q551 PolarHBondContact O-N 3.26Å; V549-Q551 VanDerWaalsContact C-N 3.31Å; V549-Q551 PolarHBondContact O-N 3.13Å; Q551-R555 WeakPolarHBondContact O-CD 3.5Å; Q551-R555 WeakPolarHBondContact O-CG 3.47Å; Q551-R555 PolarHBondContact O-N 3.5Å; Q551-R555 VanDerWaalsContact O-N 3.14Å
552	Q	98.1	Very high	97	Very high	40 Å²	40	77.8 Å²	77.8	19%	0.187	39%	0.387	C	S	.	.	H	α-helix	trans	-63.3	-47.9	174.2	-67.2	-62.2	-52	0	0	110.4	T438 N441 I442 M445 R548 V549 V550 R555 T556	T438-Q552 HydrophobicContact CG2-CB 3.98Å; N441-Q552 PolarHBondContact ND2-OE1 3.48Å; N441-Q552 VanDerWaalsContact ND2-OE1 3.1Å; I442-Q552 HydrophobicContact CD1-CB 4.38Å; I442-Q552 HydrophobicContact CG1-CB 4.3Å; M445-Q552 HydrophobicContact SD-CG 3.92Å; R548-Q552 WeakPolarHBondContact O-CG 3.33Å; R548-Q552 PolarHBondContact O-N 3.24Å; R548-Q552 VanDerWaalsContact O-N 3.14Å; V549-Q552 WeakPolarHBondContact O-CB 3.31Å; V549-Q552 PolarHBondContact O-N 3.47Å; V549-Q552 VanDerWaalsContact O-N 3.12Å; V550-Q552 VanDerWaalsContact C-N 3.3Å; V550-Q552 PolarHBondContact O-N 3.35Å; Q552-R555 PolarHBondContact O-N 3.36Å; Q552-T556 PolarHBondContact O-N 3.41Å; Q552-T556 VanDerWaalsContact O-N 3.15Å; Q552-T556 PolarHBondContact O-OG1 3.21Å
553	L	98.5	Very high	96.2	Very high	67 Å²	67	82.5 Å²	82.5	35%	0.351	41%	0.412	S	S	.	.	H	α-helix	trans	-64	-42.4	179.9	-63.7	173.4	0	0	0	112.3	Y439 I442 V549 V550 R555 T556 L557	Y439-L553 HydrophobicContact CE1-CD2 4.4Å; I442-L553 HydrophobicContact CD1-CD2 3.7Å; I442-L553 HydrophobicContact CD1-CG 4.06Å; V549-L553 HydrophobicContact CG1-CD1 4.26Å; V549-L553 PolarHBondContact O-N 3.21Å; V549-L553 VanDerWaalsContact O-N 3.13Å; V550-L553 PolarHBondContact O-N 3.12Å; V550-L553 VanDerWaalsContact O-N 3.12Å; L553-R555 PolarHBondContact O-N 3.33Å; L553-T556 PolarHBondContact O-N 3.22Å; L553-L557 WeakPolarHBondContact O-CB 3.47Å; L553-L557 PolarHBondContact O-N 2.98Å
554	E	98.3	Very high	96.1	Very high	95 Å²	95	81.8 Å²	81.8	44%	0.444	41%	0.408	S	S	.	.	H	α-helix	trans	-62.8	-40.4	177.4	-73.6	177.8	161.7	0	0	112.6	V550 T556 L557 R558	V550-E554 HydrophobicContact CG1-CG 4.1Å; V550-E554 WeakPolarHBondContact O-CG 3.29Å; V550-E554 PolarHBondContact O-N 2.95Å; E554-T556 VanDerWaalsContact C-N 3.33Å; E554-L557 PolarHBondContact O-N 3.14Å; E554-R558 WeakPolarHBondContact O-CG 3.37Å; E554-R558 PolarHBondContact O-N 3.33Å
555	R	97.3	Very high	96	Very high	144 Å²	144	84.2 Å²	84.2	54%	0.543	41%	0.414	S	S	.	.	H	α-helix	trans	-63.4	-42.7	176.8	-73.9	171.3	-166.9	-179.7	5.8	111.3	Q551 Q552 L553	Q551-R555 WeakPolarHBondContact O-CD 3.5Å; Q551-R555 WeakPolarHBondContact O-CG 3.47Å; Q551-R555 PolarHBondContact O-N 3.5Å; Q551-R555 VanDerWaalsContact O-N 3.14Å; Q552-R555 PolarHBondContact O-N 3.36Å; L553-R555 PolarHBondContact O-N 3.33Å
556	T	98	Very high	95.8	Very high	7 Å²	7	88.9 Å²	88.9	4%	0.043	44%	0.437	C	S	.	.	H	α-helix	trans	-69.6	-39.9	179.5	-59.1	0	0	0	0	111.8	T435 T438 Q552 L553 E554 R558 M559	T435-T556 HydrophobicContact CG2-CG2 4.35Å; T435-T556 WeakPolarHBondContact OG1-CG2 3.39Å; T438-T556 WeakPolarHBondContact CB-OG1 3.4Å; T438-T556 HydrophobicContact CG2-CG2 4.42Å; T438-T556 VanDerWaalsContact CG2-OG1 3.24Å; T438-T556 WeakPolarHBondContact CG2-OG1 3.03Å; T438-T556 PolarHBondContact OG1-OG1 3.35Å; Q552-T556 PolarHBondContact O-N 3.41Å; Q552-T556 VanDerWaalsContact O-N 3.15Å; Q552-T556 PolarHBondContact O-OG1 3.21Å; L553-T556 PolarHBondContact O-N 3.22Å; E554-T556 VanDerWaalsContact C-N 3.33Å; T556-R558 VanDerWaalsContact C-N 3.27Å; T556-R558 PolarHBondContact O-N 2.92Å; T556-M559 VanDerWaalsContact O-CB 3.31Å; T556-M559 WeakPolarHBondContact O-CB 3.45Å; T556-M559 PolarHBondContact O-N 3.4Å; T556-M559 VanDerWaalsContact O-N 3.07Å
557	L	98.2	Very high	95.7	Very high	115 Å²	115	87.1 Å²	87.1	60%	0.602	44%	0.435	S	S	*	.	H	α-helix	trans	-56.8	-42.2	177	178.2	60.7	0	0	0	111.7	L553 E554 M559 Y560	L553-L557 WeakPolarHBondContact O-CB 3.47Å; L553-L557 PolarHBondContact O-N 2.98Å; E554-L557 PolarHBondContact O-N 3.14Å; L557-M559 PolarHBondContact O-N 3.23Å; L557-M559 VanDerWaalsContact O-N 3.07Å; L557-Y560 PolarHBondContact O-N 3.06Å
558	R	97.6	Very high	95.5	Very high	166 Å²	166	85.6 Å²	85.6	63%	0.626	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-62.2	-16.7	179.2	-68.9	174.1	-168.4	176.6	4.6	114.3	E554 T556 Y560 D561	E554-R558 WeakPolarHBondContact O-CG 3.37Å; E554-R558 PolarHBondContact O-N 3.33Å; T556-R558 VanDerWaalsContact C-N 3.27Å; T556-R558 PolarHBondContact O-N 2.92Å; R558-Y560 PolarHBondContact O-N 3.3Å; R558-D561 WeakPolarHBondContact CA-OD2 3.31Å; R558-D561 WeakPolarHBondContact O-CB 3.46Å; R558-D561 PolarHBondContact O-N 3.33Å
559	M	96.6	Very high	95.3	Very high	69 Å²	69	84.9 Å²	84.9	34%	0.34	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-70.3	-14.9	174.5	-63.7	-167.3	64.6	0	0	113.4	A431 H434 T556 L557	A431-M559 HydrophobicContact CB-CB 3.87Å; H434-M559 HydrophobicContact CB-CE 3.76Å; H434-M559 HydrophobicContact CB-SD 3.32Å; H434-M559 WeakPolarHBondContact CB-SD 3.49Å; H434-M559 PolarHBondContact CD2-SD 3.01Å; T556-M559 VanDerWaalsContact O-CB 3.31Å; T556-M559 WeakPolarHBondContact O-CB 3.45Å; T556-M559 PolarHBondContact O-N 3.4Å; T556-M559 VanDerWaalsContact O-N 3.07Å; L557-M559 PolarHBondContact O-N 3.23Å; L557-M559 VanDerWaalsContact O-N 3.07Å
560	Y	97.2	Very high	95.1	Very high	75 Å²	75	89.7 Å²	89.7	29%	0.294	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-94	-4.4	175.8	-62.7	-90.4	0	0	0	112.9	L428 A431 I432 T435 L557 R558 G562 L563	L428-Y560 HydrophobicContact CD1-CD1 4.19Å; L428-Y560 HydrophobicContact CD1-CE1 4.01Å; A431-Y560 HydrophobicContact CB-CD1 3.97Å; A431-Y560 HydrophobicContact CB-CD2 4.29Å; A431-Y560 HydrophobicContact CB-CE1 3.72Å; A431-Y560 HydrophobicContact CB-CE2 4.06Å; A431-Y560 HydrophobicContact CB-CG 4.26Å; A431-Y560 PolarHBondContact O-OH 3.15Å; I432-Y560 VanDerWaalsContact CA-OH 3.29Å; I432-Y560 WeakPolarHBondContact CA-OH 3.41Å; I432-Y560 HydrophobicContact CG1-CE1 4.1Å; I432-Y560 PolarHBondContact N-OH 3.16Å; T435-Y560 WeakPolarHBondContact OG1-CE2 3.46Å; T435-Y560 PolarHBondContact OG1-OH 3.18Å; L557-Y560 PolarHBondContact O-N 3.06Å; R558-Y560 PolarHBondContact O-N 3.3Å; Y560-G562 PolarHBondContact O-N 3.15Å; Y560-L563 HydrophobicContact CD1-CD1 3.92Å; Y560-L563 HydrophobicContact CG-CD1 4.44Å
561	D	94.4	Very high	94.8	Very high	115 Å²	115	91.1 Å²	91.1	62%	0.615	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	122.2	179.4	-66.6	-21	0	0	0	110.2	R558	R558-D561 WeakPolarHBondContact CA-OD2 3.31Å; R558-D561 WeakPolarHBondContact O-CB 3.46Å; R558-D561 PolarHBondContact O-N 3.33Å
562	G	77.7	Confident	94.5	Very high	89 Å²	89	91.8 Å²	91.8	92%	0.918	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	15.1	176.2	0	0	0	0	0	115.7	Y560	Y560-G562 PolarHBondContact O-N 3.15Å
563	L	82.6	Confident	94.2	Very high	120 Å²	120	96.5 Å²	96.5	63%	0.628	49%	0.491	S	S	*	.			trans	-73.8	0	168.6	-66.9	-174.5	0	0	0	113.5	A427 L428 A431 Y560	A427-L563 HydrophobicContact CB-CD2 3.32Å; L428-L563 HydrophobicContact CB-CD1 4.21Å; L428-L563 HydrophobicContact CD1-CD1 3.91Å; A431-L563 HydrophobicContact CB-CD1 4.12Å; Y560-L563 HydrophobicContact CD1-CD1 3.92Å; Y560-L563 HydrophobicContact CG-CD1 4.44Å

Retrieved 563 of 563 residues in 119.9 ms (Link to these results)

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