A0A087X714_POEFO Loading...

TBC1 domain family member 15

Acts as a GTPase activating protein for RAB7A. Does not act on RAB4, RAB5 or RAB6.

AlphaFold DB , UniProt , Accession A0A087X714, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 654 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	65.4	Low	241 Å²	241	99.8 Å²	99.8	100%	1.187	53%	0.528	S	S	*	.				0	127.4	0	-68	-152.2	-71.1	0	0	106.6
2	A	35.1	Very low	66.9	Low	99 Å²	99	101.1 Å²	101.1	82%	0.818	53%	0.529	S	S	*	.			trans	-70.8	129.7	-176	0	0	0	0	0	110.2	L4	A2-L4 PolarHBondContact O-N 3.31Å
3	E	42.1	Very low	67.4	Low	125 Å²	125	94.1 Å²	94.1	58%	0.584	50%	0.496	S	S	*	.			trans	-58.6	121.7	175.2	-69.4	177.9	180	0	0	109.8	L5 K40	E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.23Å; E3-K40 IonicContact OE1-NZ 2.76Å; E3-K40 VanDerWaalsContact OE2-CE 3.27Å; E3-K40 WeakPolarHBondContact OE2-CE 3.48Å; E3-K40 IonicContact OE2-NZ 2.78Å; E3-K40 PolarHBondContact OE2-NZ 3.34Å
4	L	51.1	Low	68.5	Low	170 Å²	170	87.4 Å²	87.4	89%	0.89	46%	0.461	S	S	*	.			trans	-80.6	83.2	175.1	-96.9	153.3	0	0	0	109	A2	A2-L4 PolarHBondContact O-N 3.31Å
5	L	63.6	Low	69.3	Low	79 Å²	79	84 Å²	84	41%	0.414	44%	0.441	S	S	.	.			trans	-83.7	115.8	175.5	-133.8	161.3	0	0	0	108.9	E3 I38 K40	E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.23Å; L5-I38 HydrophobicContact CD2-CB 3.97Å; L5-I38 HydrophobicContact CD2-CD1 4.16Å; L5-I38 HydrophobicContact CD2-CG2 4.22Å; L5-K40 HydrophobicContact CD1-CD 4.48Å
6	K	77.8	Confident	70	Confident	129 Å²	129	78.8 Å²	78.8	56%	0.561	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.4	-179.7	-177.6	-178.1	169.8	-162.1	0	110.4	E39	K6-E39 HydrophobicContact CB-CB 4.36Å; K6-E39 PolarHBondContact N-O 2.87Å; K6-E39 VanDerWaalsContact N-O 3.17Å; K6-E39 IonicContact NZ-OE2 3.15Å; K6-E39 PolarHBondContact O-N 3.31Å
7	V	81.4	Confident	70	Confident	72 Å²	72	78.5 Å²	78.5	44%	0.436	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.7	175.5	-175.7	0	0	0	0	109	F9 D10 R36 I38	V7-F9 WeakPolarHBondContact CG1-O 3.45Å; V7-D10 HydrophobicContact CG1-CB 4.03Å; V7-R36 HydrophobicContact CG1-CG 4.48Å; V7-I38 HydrophobicContact CG2-CG2 4.16Å
8	I	77.9	Confident	69.3	Low	35 Å²	35	76.9 Å²	76.9	18%	0.179	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-35.4	-176.4	-61.7	153.6	0	0	0	111.5	I37 E39 I44 F179	I8-I37 HydrophobicContact CB-CB 4.42Å; I8-I37 HydrophobicContact CB-CG2 4.35Å; I8-I37 WeakPolarHBondContact CB-O 3.44Å; I8-I37 HydrophobicContact CD1-CG2 4.15Å; I8-I37 PolarHBondContact N-O 2.97Å; I8-E39 HydrophobicContact CD1-CB 3.82Å; I8-I44 HydrophobicContact CD1-CD1 4.06Å; I8-I44 HydrophobicContact CD1-CG2 4.37Å; I8-F179 HydrophobicContact CB-CE2 4.41Å; I8-F179 HydrophobicContact CB-CZ 4.42Å; I8-F179 HydrophobicContact CD1-CE1 4.01Å; I8-F179 HydrophobicContact CD1-CE2 3.76Å; I8-F179 HydrophobicContact CD1-CZ 3.34Å; I8-F179 HydrophobicContact CG1-CE2 4.48Å; I8-F179 HydrophobicContact CG1-CZ 4.06Å; I8-F179 HydrophobicContact CG2-CE2 3.66Å; I8-F179 HydrophobicContact CG2-CZ 3.76Å
9	F	85.3	Confident	68.4	Low	21 Å²	21	79.6 Å²	79.6	9%	0.092	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	139.6	176.8	176.6	-92.3	0	0	0	108.2	V7 H11 R36 I37 E171 F172 S175	V7-F9 WeakPolarHBondContact CG1-O 3.45Å; F9-H11 HydrophobicContact CD1-CB 4.49Å; F9-H11 HydrophobicContact CE1-CB 3.46Å; F9-H11 VanDerWaalsContact CE1-CB 3.46Å; F9-H11 HydrophobicContact CE2-CB 4.41Å; F9-H11 HydrophobicContact CZ-CB 3.42Å; F9-H11 VanDerWaalsContact CZ-CB 3.42Å; F9-R36 CarbonylContact O-C 3.45Å; F9-R36 WeakPolarHBondContact O-CA 3.33Å; F9-R36 WeakPolarHBondContact O-CB 3.45Å; F9-I37 HydrophobicContact CB-CB 3.95Å; F9-I37 HydrophobicContact CB-CD1 4.06Å; F9-I37 HydrophobicContact CB-CG1 3.97Å; F9-I37 HydrophobicContact CD1-CG1 4.43Å; F9-I37 PolarHBondContact N-O 2.81Å; F9-I37 PolarHBondContact O-N 3Å; F9-E171 HydrophobicContact CE2-CB 3.88Å; F9-F172 AromaticContact CD1-CD2 3.77Å; F9-F172 HydrophobicContact CD1-CD2 3.77Å; F9-F172 HydrophobicContact CE1-CB 3.82Å; F9-F172 AromaticContact CE1-CD2 3.58Å; F9-F172 HydrophobicContact CE1-CD2 3.58Å; F9-F172 HydrophobicContact CE1-CG 4.17Å; F9-F172 HydrophobicContact CE2-CB 4.25Å; F9-F172 HydrophobicContact CZ-CB 3.6Å; F9-F172 HydrophobicContact CZ-CD2 4.25Å; F9-F172 HydrophobicContact CZ-CG 4.43Å; F9-S175 VanDerWaalsContact CD2-OG 3.32Å; F9-S175 WeakPolarHBondContact CD2-OG 3.14Å
10	D	85	Confident	67.1	Low	79 Å²	79	81.6 Å²	81.6	42%	0.422	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	125.9	173.6	-162	-5.8	0	0	0	109	V7 R36	V7-D10 HydrophobicContact CG1-CB 4.03Å; D10-R36 HydrophobicContact CB-CG 3.9Å; D10-R36 VanDerWaalsContact CG-CD 3.41Å; D10-R36 VanDerWaalsContact CG-CG 3.44Å; D10-R36 WeakPolarHBondContact OD1-CD 3.36Å; D10-R36 WeakPolarHBondContact OD1-CG 3.3Å; D10-R36 WeakPolarHBondContact OD2-CD 3.47Å
11	H	82.6	Confident	65.8	Low	48 Å²	48	84.2 Å²	84.2	22%	0.222	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	119.9	178.7	-165	78.2	0	0	0	109.9	F9 S34 L35 G167	F9-H11 HydrophobicContact CD1-CB 4.49Å; F9-H11 HydrophobicContact CE1-CB 3.46Å; F9-H11 VanDerWaalsContact CE1-CB 3.46Å; F9-H11 HydrophobicContact CE2-CB 4.41Å; F9-H11 HydrophobicContact CZ-CB 3.42Å; F9-H11 VanDerWaalsContact CZ-CB 3.42Å; H11-S34 CarbonylContact O-C 3.6Å; H11-S34 VanDerWaalsContact O-CA 3.29Å; H11-S34 WeakPolarHBondContact O-CA 3.37Å; H11-L35 PolarHBondContact N-O 2.81Å; H11-L35 PolarHBondContact O-N 2.79Å; H11-G167 PolarHBondContact NE2-O 3Å
12	E	82.6	Confident	65.8	Low	115 Å²	115	82.5 Å²	82.5	54%	0.537	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	165.2	175.2	-55.2	-170	154.3	0	0	110.6
13	G	73.9	Confident	66.2	Low	10 Å²	10	81.6 Å²	81.6	10%	0.103	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.3	27.3	179.7	0	0	0	0	0	113.6	F15 G33	G13-F15 VanDerWaalsContact O-CD2 3.24Å; G13-F15 WeakPolarHBondContact O-CD2 3.25Å; G13-F15 WeakPolarHBondContact O-CE2 3.47Å; G13-G33 PolarHBondContact N-O 3.29Å
14	I	82.1	Confident	66	Low	0 Å²	0	79.6 Å²	79.6	0%	0	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.5	168.2	-56.5	-54.7	0	0	0	108.7	S32 G33 L35 Y48 L162 F164	I14-S32 CarbonylContact O-C 3.59Å; I14-G33 PolarHBondContact N-O 3.39Å; I14-G33 PolarHBondContact O-N 3.4Å; I14-L35 HydrophobicContact CB-CB 4.45Å; I14-L35 HydrophobicContact CG1-CB 3.83Å; I14-Y48 HydrophobicContact CB-CE2 4.05Å; I14-Y48 HydrophobicContact CG2-CD2 4.33Å; I14-Y48 HydrophobicContact CG2-CE2 3.94Å; I14-Y48 PolarHBondContact O-OH 3.12Å; I14-L162 HydrophobicContact CG2-CB 4.12Å; I14-L162 HydrophobicContact CG2-CD2 3.7Å; I14-F164 HydrophobicContact CD1-CB 4.46Å; I14-F164 HydrophobicContact CD1-CD1 3.18Å; I14-F164 HydrophobicContact CD1-CD2 4.3Å; I14-F164 HydrophobicContact CD1-CE1 3.29Å; I14-F164 HydrophobicContact CD1-CE2 4.35Å; I14-F164 HydrophobicContact CD1-CG 3.74Å; I14-F164 HydrophobicContact CD1-CZ 3.9Å; I14-F164 HydrophobicContact CG1-CE1 4.35Å
15	F	81.4	Confident	65.3	Low	37 Å²	37	77.4 Å²	77.4	16%	0.162	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.6	-176.4	-61.2	-96.3	0	0	0	110.8	G13 L30 V31 H163 H165	G13-F15 VanDerWaalsContact O-CD2 3.24Å; G13-F15 WeakPolarHBondContact O-CD2 3.25Å; G13-F15 WeakPolarHBondContact O-CE2 3.47Å; F15-L30 HydrophobicContact CD1-CB 4.02Å; F15-V31 WeakPolarHBondContact CA-O 3.49Å; F15-H163 HydrophobicContact CB-CB 4.33Å; F15-H163 PolarHBondContact N-O 2.91Å; F15-H163 WeakPolarHBondContact O-CB 3.45Å; F15-H163 PolarHBondContact O-N 3.16Å; F15-H165 HydrophobicContact CD2-CB 4.32Å; F15-H165 AromaticContact CD2-CD2 3.47Å; F15-H165 VanDerWaalsContact CD2-CD2 3.47Å; F15-H165 WeakPolarHBondContact CD2-CD2 3.34Å; F15-H165 HydrophobicContact CE2-CB 4.24Å; F15-H165 AromaticContact CG-CD2 3.98Å
16	L	80.1	Confident	64.3	Low	0 Å²	0	79 Å²	79	0%	0	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132	166.4	-61.1	-177	0	0	0	109.2	P18 V31 Y48 W126 F128 P160 A161 L162	L16-P18 WeakPolarHBondContact O-CD 3.34Å; L16-V31 HydrophobicContact CB-CB 4.37Å; L16-V31 PolarHBondContact N-O 2.99Å; L16-V31 PolarHBondContact O-N 2.73Å; L16-Y48 HydrophobicContact CD1-CD1 3.65Å; L16-Y48 HydrophobicContact CD1-CE1 3.34Å; L16-Y48 HydrophobicContact CD1-CG 4.4Å; L16-Y48 HydrophobicContact CG-CD1 4.29Å; L16-Y48 HydrophobicContact CG-CE1 3.73Å; L16-Y48 HydrophobicContact CG-CE2 4.24Å; L16-W126 HydrophobicContact CD1-CB 4.18Å; L16-W126 HydrophobicContact CD1-CE3 4.19Å; L16-F128 HydrophobicContact CD1-CE1 4.35Å; L16-P160 HydrophobicContact CD1-CB 4.4Å; L16-P160 HydrophobicContact CD2-CB 4.06Å; L16-A161 WeakPolarHBondContact CD2-O 3.3Å; L16-L162 HydrophobicContact CD2-CD2 3.48Å; L16-L162 VanDerWaalsContact CD2-CD2 3.48Å; L16-L162 HydrophobicContact CD2-CG 4.17Å
17	H	69.7	Low	62.5	Low	74 Å²	74	81.6 Å²	81.6	34%	0.343	46%	0.464	S	S	.	.			trans	-99.6	108.9	170.1	-69.8	-113.6	0	0	0	108.7	T19 L30 H163 H165	H17-T19 PolarHBondContact O-N 3.21Å; H17-L30 WeakPolarHBondContact CE1-CD2 3.4Å; H17-L30 WeakPolarHBondContact ND1-CD2 3.39Å; H17-L30 WeakPolarHBondContact NE2-CD2 3.03Å; H17-H163 AromaticContact CD2-CD2 3.13Å; H17-H163 PolarHBondContact CD2-CD2 2.94Å; H17-H163 AromaticContact CD2-CE1 3.49Å; H17-H163 PolarHBondContact CD2-CE1 3.42Å; H17-H163 VanDerWaalsContact CD2-CE1 3.49Å; H17-H163 AromaticContact CD2-CG 3.3Å; H17-H163 AromaticContact CD2-ND1 3.52Å; H17-H163 AromaticContact CD2-NE2 3.28Å; H17-H163 PolarHBondContact CD2-NE2 2.91Å; H17-H163 VanDerWaalsContact CD2-NE2 3.28Å; H17-H163 AromaticContact CG-NE2 3.76Å; H17-H163 AromaticContact NE2-CD2 3.83Å; H17-H163 AromaticContact NE2-CE1 3.74Å; H17-H163 AromaticContact NE2-CG 3.49Å; H17-H163 AromaticContact NE2-ND1 3.43Å; H17-H163 PolarHBondContact NE2-ND1 2.9Å; H17-H163 AromaticContact NE2-NE2 4Å; H17-H165 AromaticContact NE2-NE2 3.68Å
18	P	58.7	Low	60.9	Low	50 Å²	50	85.6 Å²	85.6	33%	0.325	48%	0.483	S	S	.	.			trans	-61.4	122.8	169.1	-19.4	32.5	0	0	0	109.1	L16 L29 W126	L16-P18 WeakPolarHBondContact O-CD 3.34Å; P18-L29 WeakPolarHBondContact CD-O 3.42Å; P18-W126 HydrophobicContact CB-CH2 3.45Å; P18-W126 VanDerWaalsContact CB-CH2 3.45Å; P18-W126 HydrophobicContact CB-CZ2 3.71Å; P18-W126 HydrophobicContact CB-CZ3 4.34Å; P18-W126 HydrophobicContact CG-CH2 3.7Å; P18-W126 HydrophobicContact CG-CZ2 3.62Å; P18-W126 HydrophobicContact CG-CZ3 4.38Å
19	T	51.8	Low	59.8	Low	129 Å²	129	88.6 Å²	88.6	79%	0.791	50%	0.499	S	S	*	.			trans	-63.4	136.4	163.8	34.4	0	0	0	0	108.8	H17 D21	H17-T19 PolarHBondContact O-N 3.21Å; T19-D21 PolarHBondContact O-N 3.38Å; T19-D21 VanDerWaalsContact O-N 3.11Å
20	P	42.3	Very low	58.7	Low	118 Å²	118	91.8 Å²	91.8	77%	0.766	52%	0.516	S	S	*	.			trans	-66.4	114.1	-177.2	25.8	-31.7	0	0	0	109.4	E22	P20-E22 PolarHBondContact O-N 3.17Å
21	D	39.8	Very low	58.2	Low	137 Å²	137	88.8 Å²	88.8	73%	0.733	50%	0.501	S	S	*	.			trans	-65	128.3	151.5	-94.3	-25.3	0	0	0	106.2	T19 G23	T19-D21 PolarHBondContact O-N 3.38Å; T19-D21 VanDerWaalsContact O-N 3.11Å; D21-G23 PolarHBondContact O-N 3.39Å
22	E	38.3	Very low	58	Low	206 Å²	206	88.2 Å²	88.2	96%	0.963	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	101.8	178.3	-71.7	-161.8	156.8	0	0	110.2	P20	P20-E22 PolarHBondContact O-N 3.17Å
23	G	41.9	Very low	58	Low	80 Å²	80	82.8 Å²	82.8	83%	0.825	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	141.7	1.5	164.8	0	0	0	0	0	119.8	D21	D21-G23 PolarHBondContact O-N 3.39Å
24	S	38.3	Very low	58.5	Low	83 Å²	83	82.7 Å²	82.7	58%	0.58	48%	0.475	S	S	*	.			trans	-100.7	137.9	174.8	65.7	0	0	0	0	113	D26	S24-D26 VanDerWaalsContact C-N 3.32Å; S24-D26 PolarHBondContact O-N 2.93Å
25	P	37	Very low	58.7	Low	124 Å²	124	82.7 Å²	82.7	81%	0.805	48%	0.475	S	S	*	.	S	Bend	trans	-81.2	0.7	-170.5	33.1	-34.6	0	0	0	115.4	Q27	P25-Q27 PolarHBondContact O-N 3.22Å
26	D	41.6	Very low	59.1	Low	112 Å²	112	82.8 Å²	82.8	60%	0.599	47%	0.474	S	S	*	.			trans	-97.6	92.7	-179.4	-70.6	-29.2	0	0	0	111	S24 L29	S24-D26 VanDerWaalsContact C-N 3.32Å; S24-D26 PolarHBondContact O-N 2.93Å; D26-L29 HydrophobicContact CB-CD1 3.64Å; D26-L29 HydrophobicContact CB-CG 4.26Å
27	Q	41.3	Very low	59.3	Low	184 Å²	184	82.8 Å²	82.8	86%	0.86	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-0	-175.3	-88.4	-177.4	-4.3	0	0	116.1	P25	P25-Q27 PolarHBondContact O-N 3.22Å
28	D	46.8	Very low	60.1	Low	156 Å²	156	79.6 Å²	79.6	83%	0.834	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.2	40.4	-173.8	-79.2	-41	0	0	0	114	L30	D28-L30 PolarHBondContact O-N 3.25Å
29	L	55.4	Low	61.1	Low	97 Å²	97	79.7 Å²	79.7	51%	0.508	46%	0.455	S	S	.	.			trans	-89.5	85.2	174.2	-75.3	165.4	0	0	0	111	P18 D26 V31	P18-L29 WeakPolarHBondContact CD-O 3.42Å; D26-L29 HydrophobicContact CB-CD1 3.64Å; D26-L29 HydrophobicContact CB-CG 4.26Å; L29-V31 PolarHBondContact O-N 2.74Å
30	L	62.4	Low	62.3	Low	89 Å²	89	76.4 Å²	76.4	47%	0.466	43%	0.43	S	S	.	.			trans	-73.1	115.6	164	-66.3	172.8	0	0	0	109.1	F15 H17 D28 S32	F15-L30 HydrophobicContact CD1-CB 4.02Å; H17-L30 WeakPolarHBondContact CE1-CD2 3.4Å; H17-L30 WeakPolarHBondContact ND1-CD2 3.39Å; H17-L30 WeakPolarHBondContact NE2-CD2 3.03Å; D28-L30 PolarHBondContact O-N 3.25Å; L30-S32 PolarHBondContact O-N 2.69Å
31	V	73.4	Confident	63.6	Low	16 Å²	16	76.8 Å²	76.8	10%	0.097	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	104.8	176	-176	0	0	0	0	107.5	F15 L16 L29 Y48 P50 W126	F15-V31 WeakPolarHBondContact CA-O 3.49Å; L16-V31 HydrophobicContact CB-CB 4.37Å; L16-V31 PolarHBondContact N-O 2.99Å; L16-V31 PolarHBondContact O-N 2.73Å; L29-V31 PolarHBondContact O-N 2.74Å; V31-Y48 PolarHBondContact O-OH 3.25Å; V31-P50 HydrophobicContact CG1-CB 4.11Å; V31-P50 HydrophobicContact CG1-CG 4.37Å; V31-W126 HydrophobicContact CG1-CB 4.12Å; V31-W126 HydrophobicContact CG1-CG 4.3Å; V31-W126 HydrophobicContact CG2-CD2 4.37Å; V31-W126 HydrophobicContact CG2-CG 4.09Å
32	S	78.4	Confident	64.8	Low	36 Å²	36	73.1 Å²	73.1	25%	0.252	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	141.3	172.7	-174.2	0	0	0	0	110.9	I14 L30 Y48 P50 L51	I14-S32 CarbonylContact O-C 3.59Å; L30-S32 PolarHBondContact O-N 2.69Å; S32-Y48 VanDerWaalsContact C-OH 3.29Å; S32-P50 WeakPolarHBondContact O-CA 3.49Å; S32-L51 PolarHBondContact O-N 3.06Å
33	G	83.1	Confident	66.4	Low	0 Å²	0	68.2 Å²	68.2	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	178.7	179.8	0	0	0	0	0	113.2	G13 I14 Y48 R49	G13-G33 PolarHBondContact N-O 3.29Å; I14-G33 PolarHBondContact N-O 3.39Å; I14-G33 PolarHBondContact O-N 3.4Å; G33-Y48 WeakPolarHBondContact CA-OH 3.39Å; G33-Y48 PolarHBondContact N-OH 2.96Å; G33-R49 CarbonylContact C-O 3.55Å; G33-R49 WeakPolarHBondContact CA-O 3.42Å
34	S	84	Confident	68.4	Low	9 Å²	9	65.5 Å²	65.5	6%	0.063	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.4	173.7	65.2	0	0	0	0	110.9	H11 Y48 R49	H11-S34 CarbonylContact O-C 3.6Å; H11-S34 VanDerWaalsContact O-CA 3.29Å; H11-S34 WeakPolarHBondContact O-CA 3.37Å; S34-Y48 WeakPolarHBondContact O-CA 3.32Å; S34-R49 PolarHBondContact N-O 3.46Å; S34-R49 PolarHBondContact O-N 2.68Å
35	L	87.4	Confident	70.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.1	174.9	-173.6	68.7	0	0	0	109	H11 I14 V46 Y48 L162 F164 F172	H11-L35 PolarHBondContact N-O 2.81Å; H11-L35 PolarHBondContact O-N 2.79Å; I14-L35 HydrophobicContact CB-CB 4.45Å; I14-L35 HydrophobicContact CG1-CB 3.83Å; L35-V46 HydrophobicContact CD1-CG1 3.79Å; L35-Y48 HydrophobicContact CD1-CD2 4.41Å; L35-L162 HydrophobicContact CD1-CD1 4.29Å; L35-L162 HydrophobicContact CD1-CD2 4.29Å; L35-L162 HydrophobicContact CD2-CD1 4.12Å; L35-F164 HydrophobicContact CD2-CE1 4.47Å; L35-F164 HydrophobicContact CD2-CZ 3.85Å; L35-F172 HydrophobicContact CD2-CD1 4.19Å; L35-F172 HydrophobicContact CD2-CD2 3.57Å; L35-F172 HydrophobicContact CD2-CE1 4.04Å; L35-F172 HydrophobicContact CD2-CE2 3.41Å; L35-F172 VanDerWaalsContact CD2-CE2 3.41Å; L35-F172 HydrophobicContact CD2-CG 3.96Å; L35-F172 HydrophobicContact CD2-CZ 3.66Å; L35-F172 HydrophobicContact CG-CD2 4.15Å; L35-F172 HydrophobicContact CG-CE2 3.8Å; L35-F172 HydrophobicContact CG-CZ 4.34Å
36	R	88.9	Confident	73	Confident	39 Å²	39	57 Å²	57	15%	0.147	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150.8	-178.2	-70	-166.2	-64.3	-138.3	-11.1	113.2	V7 F9 D10 I38 V46 E47	V7-R36 HydrophobicContact CG1-CG 4.48Å; F9-R36 CarbonylContact O-C 3.45Å; F9-R36 WeakPolarHBondContact O-CA 3.33Å; F9-R36 WeakPolarHBondContact O-CB 3.45Å; D10-R36 HydrophobicContact CB-CG 3.9Å; D10-R36 VanDerWaalsContact CG-CD 3.41Å; D10-R36 VanDerWaalsContact CG-CG 3.44Å; D10-R36 WeakPolarHBondContact OD1-CD 3.36Å; D10-R36 WeakPolarHBondContact OD1-CG 3.3Å; D10-R36 WeakPolarHBondContact OD2-CD 3.47Å; R36-I38 HydrophobicContact CB-CG2 4.05Å; R36-V46 CarbonylContact O-C 3.59Å; R36-V46 WeakPolarHBondContact O-CA 3.35Å; R36-E47 IonicContact CZ-OE2 3.11Å; R36-E47 PolarHBondContact N-O 3.47Å; R36-E47 IonicContact NE-OE2 2.88Å; R36-E47 PolarHBondContact NE-OE2 3.29Å; R36-E47 IonicContact NH2-OE2 2.95Å; R36-E47 PolarHBondContact NH2-OE2 2.99Å; R36-E47 PolarHBondContact O-N 2.79Å
37	I	85.7	Confident	75.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.5	162.4	-55.9	177.1	0	0	0	106.5	I8 F9 I44 L45 V46 I132 F172 L176 F179	I8-I37 HydrophobicContact CB-CB 4.42Å; I8-I37 HydrophobicContact CB-CG2 4.35Å; I8-I37 WeakPolarHBondContact CB-O 3.44Å; I8-I37 HydrophobicContact CD1-CG2 4.15Å; I8-I37 PolarHBondContact N-O 2.97Å; F9-I37 HydrophobicContact CB-CB 3.95Å; F9-I37 HydrophobicContact CB-CD1 4.06Å; F9-I37 HydrophobicContact CB-CG1 3.97Å; F9-I37 HydrophobicContact CD1-CG1 4.43Å; F9-I37 PolarHBondContact N-O 2.81Å; F9-I37 PolarHBondContact O-N 3Å; I37-I44 HydrophobicContact CG2-CG2 3.53Å; I37-L45 CarbonylContact C-O 3.47Å; I37-L45 WeakPolarHBondContact CA-O 3.43Å; I37-V46 HydrophobicContact CG1-CG2 4.44Å; I37-I132 HydrophobicContact CG2-CD1 4.33Å; I37-F172 HydrophobicContact CD1-CD2 4.1Å; I37-F172 HydrophobicContact CD1-CE2 3.92Å; I37-F172 HydrophobicContact CG1-CD2 4.28Å; I37-F172 HydrophobicContact CG1-CE2 3.85Å; I37-L176 HydrophobicContact CD1-CB 4.14Å; I37-L176 HydrophobicContact CD1-CD1 4.23Å; I37-F179 HydrophobicContact CG2-CD2 4.35Å; I37-F179 HydrophobicContact CG2-CE2 4.27Å
38	I	85	Confident	77.3	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142	-176.8	62.9	177.6	0	0	0	110.5	L5 V7 R36 I44 L45 E47	L5-I38 HydrophobicContact CD2-CB 3.97Å; L5-I38 HydrophobicContact CD2-CD1 4.16Å; L5-I38 HydrophobicContact CD2-CG2 4.22Å; V7-I38 HydrophobicContact CG2-CG2 4.16Å; R36-I38 HydrophobicContact CB-CG2 4.05Å; I38-I44 WeakPolarHBondContact O-CA 3.45Å; I38-L45 HydrophobicContact CD1-CB 4.27Å; I38-L45 HydrophobicContact CD1-CD1 4.2Å; I38-L45 HydrophobicContact CG1-CB 3.78Å; I38-L45 HydrophobicContact CG1-CD1 4.36Å; I38-L45 PolarHBondContact N-O 2.86Å; I38-L45 PolarHBondContact O-N 2.84Å; I38-E47 HydrophobicContact CD1-CB 4.37Å
39	E	80.1	Confident	79.1	Confident	52 Å²	52	41.9 Å²	41.9	24%	0.243	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.8	168.5	180	173.9	-157	0	0	108	K6 I8 E43 I44	K6-E39 HydrophobicContact CB-CB 4.36Å; K6-E39 PolarHBondContact N-O 2.87Å; K6-E39 VanDerWaalsContact N-O 3.17Å; K6-E39 IonicContact NZ-OE2 3.15Å; K6-E39 PolarHBondContact O-N 3.31Å; I8-E39 HydrophobicContact CD1-CB 3.82Å; E39-E43 WeakPolarHBondContact CA-O 3.09Å; E39-I44 HydrophobicContact CB-CD1 3.71Å; E39-I44 HydrophobicContact CG-CD1 3.74Å
40	K	76.3	Confident	80.3	Confident	60 Å²	60	38.9 Å²	38.9	26%	0.261	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	125.1	178.4	-172.9	177.3	-178	170.2	0	108.9	E3 L5 A42 E43 L45	E3-K40 IonicContact OE1-NZ 2.76Å; E3-K40 VanDerWaalsContact OE2-CE 3.27Å; E3-K40 WeakPolarHBondContact OE2-CE 3.48Å; E3-K40 IonicContact OE2-NZ 2.78Å; E3-K40 PolarHBondContact OE2-NZ 3.34Å; L5-K40 HydrophobicContact CD1-CD 4.48Å; K40-A42 VanDerWaalsContact C-N 3.25Å; K40-A42 PolarHBondContact O-N 2.73Å; K40-E43 PolarHBondContact N-O 3.38Å; K40-E43 WeakPolarHBondContact O-CA 3.4Å; K40-E43 WeakPolarHBondContact O-CB 3.27Å; K40-E43 PolarHBondContact O-N 3.26Å; K40-L45 HydrophobicContact CB-CD1 4.36Å
41	D	70.7	Confident	80.7	Confident	126 Å²	126	37.6 Å²	37.6	67%	0.674	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	39.9	178.3	-56.9	-44	0	0	0	114.2	E43	D41-E43 PolarHBondContact O-N 2.97Å
42	A	64	Low	80.1	Confident	60 Å²	60	45 Å²	45	50%	0.496	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	5.8	-173.5	0	0	0	0	0	115.1	K40 K199	K40-A42 VanDerWaalsContact C-N 3.25Å; K40-A42 PolarHBondContact O-N 2.73Å; A42-K199 PolarHBondContact O-NZ 3.23Å
43	E	72.9	Confident	78.6	Confident	104 Å²	104	48.1 Å²	48.1	49%	0.486	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	146.6	170.1	-62.6	-171.1	170.7	0	0	110.7	E39 K40 D41 N131	E39-E43 WeakPolarHBondContact CA-O 3.09Å; K40-E43 PolarHBondContact N-O 3.38Å; K40-E43 WeakPolarHBondContact O-CA 3.4Å; K40-E43 WeakPolarHBondContact O-CB 3.27Å; K40-E43 PolarHBondContact O-N 3.26Å; D41-E43 PolarHBondContact O-N 2.97Å; E43-N131 PolarHBondContact OE2-ND2 3.14Å; E43-N131 VanDerWaalsContact OE2-ND2 3.12Å
44	I	82.7	Confident	76.5	Confident	23 Å²	23	53.8 Å²	53.8	12%	0.118	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.6	176.5	-47.5	-64.6	0	0	0	108.3	I8 I37 I38 E39 N131 I132 F179	I8-I44 HydrophobicContact CD1-CD1 4.06Å; I8-I44 HydrophobicContact CD1-CG2 4.37Å; I37-I44 HydrophobicContact CG2-CG2 3.53Å; I38-I44 WeakPolarHBondContact O-CA 3.45Å; E39-I44 HydrophobicContact CB-CD1 3.71Å; E39-I44 HydrophobicContact CG-CD1 3.74Å; I44-N131 PolarHBondContact O-OD1 3Å; I44-I132 HydrophobicContact CB-CD1 3.92Å; I44-I132 HydrophobicContact CB-CG1 4.34Å; I44-I132 HydrophobicContact CG2-CD1 3.32Å; I44-I132 HydrophobicContact CG2-CG1 4.12Å; I44-I132 PolarHBondContact O-N 3.2Å; I44-F179 HydrophobicContact CB-CG 4.49Å; I44-F179 HydrophobicContact CD1-CD1 3.88Å; I44-F179 HydrophobicContact CD1-CE1 3.89Å; I44-F179 HydrophobicContact CG1-CB 4.39Å; I44-F179 HydrophobicContact CG1-CD1 3.73Å; I44-F179 HydrophobicContact CG1-CE1 4.26Å; I44-F179 HydrophobicContact CG1-CG 4.08Å; I44-F179 HydrophobicContact CG2-CB 4.4Å; I44-F179 HydrophobicContact CG2-CD1 4.36Å; I44-F179 HydrophobicContact CG2-CD2 4.09Å; I44-F179 HydrophobicContact CG2-CG 4Å
45	L	85.1	Confident	74.2	Confident	28 Å²	28	57.9 Å²	57.9	15%	0.147	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.9	-176.3	-55.1	166.9	0	0	0	109.8	I37 I38 K40 V130 N131	I37-L45 CarbonylContact C-O 3.47Å; I37-L45 WeakPolarHBondContact CA-O 3.43Å; I38-L45 HydrophobicContact CD1-CB 4.27Å; I38-L45 HydrophobicContact CD1-CD1 4.2Å; I38-L45 HydrophobicContact CG1-CB 3.78Å; I38-L45 HydrophobicContact CG1-CD1 4.36Å; I38-L45 PolarHBondContact N-O 2.86Å; I38-L45 PolarHBondContact O-N 2.84Å; K40-L45 HydrophobicContact CB-CD1 4.36Å; L45-V130 CarbonylContact C-O 3.5Å; L45-V130 WeakPolarHBondContact CA-O 3.21Å; L45-N131 HydrophobicContact CD2-CB 3.92Å
46	V	87.7	Confident	71.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.5	163.4	179	0	0	0	0	107.3	L35 R36 I37 S129 V130 I132 L150 F172 L176	L35-V46 HydrophobicContact CD1-CG1 3.79Å; R36-V46 CarbonylContact O-C 3.59Å; R36-V46 WeakPolarHBondContact O-CA 3.35Å; I37-V46 HydrophobicContact CG1-CG2 4.44Å; V46-S129 CarbonylContact O-C 3.39Å; V46-S129 WeakPolarHBondContact O-CA 3.18Å; V46-V130 PolarHBondContact N-O 3.43Å; V46-V130 PolarHBondContact O-N 3.27Å; V46-I132 HydrophobicContact CG2-CD1 4.25Å; V46-I132 HydrophobicContact CG2-CG1 3.88Å; V46-L150 HydrophobicContact CG1-CD1 4.3Å; V46-F172 HydrophobicContact CG1-CE2 4.1Å; V46-F172 HydrophobicContact CG1-CZ 3.91Å; V46-F172 HydrophobicContact CG2-CZ 4.43Å; V46-L176 HydrophobicContact CG2-CD1 3.69Å
47	E	87.4	Confident	69.3	Low	26 Å²	26	66.1 Å²	66.1	12%	0.121	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.9	-176.8	-173.5	-169	-127.6	0	0	110.4	R36 I38 R49 F128	R36-E47 IonicContact CZ-OE2 3.11Å; R36-E47 PolarHBondContact N-O 3.47Å; R36-E47 IonicContact NE-OE2 2.88Å; R36-E47 PolarHBondContact NE-OE2 3.29Å; R36-E47 IonicContact NH2-OE2 2.95Å; R36-E47 PolarHBondContact NH2-OE2 2.99Å; R36-E47 PolarHBondContact O-N 2.79Å; I38-E47 HydrophobicContact CD1-CB 4.37Å; E47-R49 HydrophobicContact CG-CG 4.01Å; E47-R49 IonicContact OE1-CZ 3.56Å; E47-R49 IonicContact OE1-NE 3.43Å; E47-R49 PolarHBondContact OE1-NE 3.08Å; E47-R49 IonicContact OE1-NH2 2.79Å; E47-R49 PolarHBondContact OE1-NH2 3.33Å; E47-R49 IonicContact OE2-CZ 3.04Å; E47-R49 IonicContact OE2-NE 3.92Å; E47-R49 PolarHBondContact OE2-NE 3.17Å; E47-R49 IonicContact OE2-NH2 3.04Å; E47-R49 PolarHBondContact OE2-NH2 3.12Å; E47-F128 WeakPolarHBondContact CA-O 3.49Å
48	Y	85.9	Confident	67	Low	0 Å²	0	70.5 Å²	70.5	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.1	167.2	179.5	-96.9	0	0	0	109.7	I14 L16 V31 S32 G33 S34 L35 P50 W126 A127 F128 L162	I14-Y48 HydrophobicContact CB-CE2 4.05Å; I14-Y48 HydrophobicContact CG2-CD2 4.33Å; I14-Y48 HydrophobicContact CG2-CE2 3.94Å; I14-Y48 PolarHBondContact O-OH 3.12Å; L16-Y48 HydrophobicContact CD1-CD1 3.65Å; L16-Y48 HydrophobicContact CD1-CE1 3.34Å; L16-Y48 HydrophobicContact CD1-CG 4.4Å; L16-Y48 HydrophobicContact CG-CD1 4.29Å; L16-Y48 HydrophobicContact CG-CE1 3.73Å; L16-Y48 HydrophobicContact CG-CE2 4.24Å; V31-Y48 PolarHBondContact O-OH 3.25Å; S32-Y48 VanDerWaalsContact C-OH 3.29Å; G33-Y48 WeakPolarHBondContact CA-OH 3.39Å; G33-Y48 PolarHBondContact N-OH 2.96Å; S34-Y48 WeakPolarHBondContact O-CA 3.32Å; L35-Y48 HydrophobicContact CD1-CD2 4.41Å; Y48-P50 HydrophobicContact CE1-CG 4.2Å; Y48-W126 WeakPolarHBondContact CD1-O 3.36Å; Y48-A127 WeakPolarHBondContact O-CA 3.32Å; Y48-F128 HydrophobicContact CD1-CD1 4.4Å; Y48-F128 HydrophobicContact CD1-CE1 4.18Å; Y48-F128 HydrophobicContact CG-CD1 4.42Å; Y48-F128 AromaticContact CG-CE1 3.9Å; Y48-F128 HydrophobicContact CG-CE1 3.9Å; Y48-F128 HydrophobicContact CG-CZ 4.35Å; Y48-F128 PolarHBondContact N-O 2.84Å; Y48-F128 PolarHBondContact O-N 2.63Å; Y48-L162 HydrophobicContact CD2-CD2 4.03Å; Y48-L162 HydrophobicContact CE2-CD2 4.49Å
49	R	83.7	Confident	64.7	Low	109 Å²	109	77 Å²	77	41%	0.411	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.4	174.2	-65.9	-153.3	-171.9	143.9	13.3	110.3	G33 S34 E47 L51	G33-R49 CarbonylContact C-O 3.55Å; G33-R49 WeakPolarHBondContact CA-O 3.42Å; S34-R49 PolarHBondContact N-O 3.46Å; S34-R49 PolarHBondContact O-N 2.68Å; E47-R49 HydrophobicContact CG-CG 4.01Å; E47-R49 IonicContact OE1-CZ 3.56Å; E47-R49 IonicContact OE1-NE 3.43Å; E47-R49 PolarHBondContact OE1-NE 3.08Å; E47-R49 IonicContact OE1-NH2 2.79Å; E47-R49 PolarHBondContact OE1-NH2 3.33Å; E47-R49 IonicContact OE2-CZ 3.04Å; E47-R49 IonicContact OE2-NE 3.92Å; E47-R49 PolarHBondContact OE2-NE 3.17Å; E47-R49 IonicContact OE2-NH2 3.04Å; E47-R49 PolarHBondContact OE2-NH2 3.12Å; R49-L51 PolarHBondContact O-N 3.31Å
50	P	80.8	Confident	62.4	Low	33 Å²	33	81.1 Å²	81.1	21%	0.214	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	137.4	170.4	-19.8	30.1	0	0	0	110.7	V31 S32 Y48 R123 W126 A127	V31-P50 HydrophobicContact CG1-CB 4.11Å; V31-P50 HydrophobicContact CG1-CG 4.37Å; S32-P50 WeakPolarHBondContact O-CA 3.49Å; Y48-P50 HydrophobicContact CE1-CG 4.2Å; P50-R123 VanDerWaalsContact CG-O 3.31Å; P50-R123 WeakPolarHBondContact CG-O 3.48Å; P50-W126 HydrophobicContact CG-CB 4.31Å; P50-A127 HydrophobicContact CG-CB 4.44Å
51	L	72.1	Confident	60.3	Low	62 Å²	62	86.7 Å²	86.7	33%	0.325	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-78.2	133.9	174.6	-136.6	77.9	0	0	0	108.2	S32 R49 D53	S32-L51 PolarHBondContact O-N 3.06Å; R49-L51 PolarHBondContact O-N 3.31Å; L51-D53 PolarHBondContact O-N 3.12Å
52	E	59.7	Low	58.4	Low	172 Å²	172	86.2 Å²	86.2	80%	0.804	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-71.7	126.1	165.9	-74.1	-176.1	167.4	0	0	107.6	S54	E52-S54 VanDerWaalsContact C-N 3.33Å; E52-S54 PolarHBondContact O-N 3.15Å
53	D	47.9	Very low	56.7	Low	102 Å²	102	88.3 Å²	88.3	55%	0.545	50%	0.5	S	S	.	.			trans	-61.1	96.4	175.9	-72.9	-38	0	0	0	108.7	L51 V55 R123	L51-D53 PolarHBondContact O-N 3.12Å; D53-V55 PolarHBondContact O-N 3.46Å; D53-R123 IonicContact OD2-CZ 3.03Å; D53-R123 IonicContact OD2-NH1 2.65Å; D53-R123 PolarHBondContact OD2-NH1 3.13Å; D53-R123 IonicContact OD2-NH2 3.12Å; D53-R123 PolarHBondContact OD2-NH2 2.68Å
54	S	38	Very low	54.5	Low	118 Å²	118	87 Å²	87	83%	0.825	52%	0.515	S	S	*	.			trans	-77.1	65.1	162.3	68.8	0	0	0	0	108.6	E52	E52-S54 VanDerWaalsContact C-N 3.33Å; E52-S54 PolarHBondContact O-N 3.15Å
55	V	36.6	Very low	52.1	Low	95 Å²	95	95 Å²	95	58%	0.576	55%	0.551	S	S	*	*			trans	-129	87.2	161.6	-164.9	0	0	0	0	106.8	D53 P57	D53-V55 PolarHBondContact O-N 3.46Å; V55-P57 VanDerWaalsContact O-CD 3.3Å; V55-P57 WeakPolarHBondContact O-CD 3.29Å
56	D	36.6	Very low	49.6	Very low	98 Å²	98	100.6 Å²	100.6	52%	0.524	58%	0.582	S	S	.	*			trans	-60	117.7	157	-176	-7.8	0	0	0	106.7	S58 N59	D56-S58 PolarHBondContact O-N 2.9Å; D56-S58 WeakPolarHBondContact OD1-CB 3.39Å; D56-S58 PolarHBondContact OD1-N 3.16Å; D56-S58 VanDerWaalsContact OD1-N 3.14Å; D56-S58 PolarHBondContact OD1-OG 3.31Å; D56-N59 PolarHBondContact O-N 3.42Å
57	P	36.9	Very low	46.8	Very low	114 Å²	114	106.9 Å²	106.9	74%	0.74	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-58.1	-11.7	179.9	-20.5	31.3	0	0	0	113.2	V55 N59	V55-P57 VanDerWaalsContact O-CD 3.3Å; V55-P57 WeakPolarHBondContact O-CD 3.29Å; P57-N59 VanDerWaalsContact C-N 3.28Å; P57-N59 PolarHBondContact O-N 2.78Å
58	S	37.3	Very low	44.1	Very low	92 Å²	92	111 Å²	111	64%	0.643	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-73.1	-8.6	-178.6	-46.2	0	0	0	0	114.9	D56	D56-S58 PolarHBondContact O-N 2.9Å; D56-S58 WeakPolarHBondContact OD1-CB 3.39Å; D56-S58 PolarHBondContact OD1-N 3.16Å; D56-S58 VanDerWaalsContact OD1-N 3.14Å; D56-S58 PolarHBondContact OD1-OG 3.31Å
59	N	35.7	Very low	41.4	Very low	143 Å²	143	116.6 Å²	116.6	77%	0.765	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-118.3	12.8	-175.9	-81.6	-26.5	0	0	0	115.6	D56 P57 L61	D56-N59 PolarHBondContact O-N 3.42Å; P57-N59 VanDerWaalsContact C-N 3.28Å; P57-N59 PolarHBondContact O-N 2.78Å; N59-L61 PolarHBondContact O-N 3.01Å
60	M	31.9	Very low	38.8	Very low	139 Å²	139	117.7 Å²	117.7	69%	0.685	72%	0.715	S	S	*	*			trans	-81.2	112.9	170.4	-77.8	-173	66.6	0	0	111.1
61	L	32.8	Very low	36.2	Very low	176 Å²	176	122.4 Å²	122.4	92%	0.921	74%	0.742	S	S	*	*			trans	-88.4	115.9	163.7	-70.1	169.7	0	0	0	108.8	N59	N59-L61 PolarHBondContact O-N 3.01Å
62	C	31.6	Very low	33.9	Very low	117 Å²	117	126.7 Å²	126.7	79%	0.791	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-84.5	134.9	-179.9	-45.9	0	0	0	0	111.3
63	A	26.5	Very low	32.3	Very low	104 Å²	104	128.9 Å²	128.9	86%	0.86	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-89.9	133.7	162.2	0	0	0	0	0	109.7
64	G	27.5	Very low	31.2	Very low	77 Å²	77	128.8 Å²	128.8	79%	0.794	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-69.9	156.3	-174.2	0	0	0	0	0	114.6
65	Q	33.3	Very low	30.5	Very low	189 Å²	189	132 Å²	132	88%	0.883	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-54.6	130.1	177.1	-73.9	172.7	-46.5	0	0	112.4
66	D	31.2	Very low	30.2	Very low	147 Å²	147	133.2 Å²	133.2	79%	0.786	79%	0.789	S	S	*	*			trans	141.8	111.1	136.1	-71.6	-20.9	0	0	0	111.5
67	S	29.3	Very low	30.4	Very low	132 Å²	132	134.8 Å²	134.8	92%	0.923	80%	0.804	S	S	*	*				165.7	126.8	127.7	-75.1	0	0	0	0	112.7
68	S	30.8	Very low	29.9	Very low	112 Å²	112	132.8 Å²	132.8	78%	0.783	81%	0.805	S	S	*	*			trans	-93.7	160.2	176.4	82	0	0	0	0	112.6
69	S	29.2	Very low	29.4	Very low	118 Å²	118	136 Å²	136	83%	0.825	81%	0.809	S	S	*	*				147.8	162.7	123.6	65.9	0	0	0	0	114.7
70	V	28.3	Very low	28.9	Very low	131 Å²	131	136.8 Å²	136.8	79%	0.794	81%	0.806	S	S	*	*			trans	-96.4	165.9	-155.3	173.2	0	0	0	0	112
71	V	27.5	Very low	28.7	Very low	132 Å²	132	135.1 Å²	135.1	80%	0.8	81%	0.808	S	S	*	*				155.2	150.7	128	172.9	0	0	0	0	114.6
72	E	23.3	Very low	28.5	Very low	153 Å²	153	135.1 Å²	135.1	72%	0.715	80%	0.803	S	S	*	*			trans	-69.4	167	-166.2	-81.5	177.2	131.2	0	0	125
73	W	26.6	Very low	28.2	Very low	218 Å²	218	135.2 Å²	135.2	83%	0.826	80%	0.801	S	S	*	*			trans	49.1	133.1	141.1	-65.4	110.4	0	0	0	125.6
74	A	24	Very low	28.2	Very low	100 Å²	100	140.1 Å²	140.1	83%	0.826	80%	0.797	S	S	*	*				156.4	164.1	111.3	0	0	0	0	0	116.2
75	Q	23.8	Very low	28.1	Very low	186 Å²	186	144 Å²	144	87%	0.869	79%	0.794	S	S	*	*			trans	-90.7	169.2	-156.2	-69	170.8	-33.8	0	0	119.7
76	C	30.1	Very low	27.6	Very low	120 Å²	120	141.4 Å²	141.4	81%	0.811	79%	0.786	S	S	*	*			trans	-45.2	171.7	168.7	-54.9	0	0	0	0	117.3
77	P	40.1	Very low	27.4	Very low	130 Å²	130	141.7 Å²	141.7	84%	0.844	79%	0.787	S	S	*	*			cis	-160.5	-179	46.6	41.7	-16.8	0	0	0	120.6
78	G	26.3	Very low	27.2	Very low	73 Å²	73	143.7 Å²	143.7	75%	0.753	78%	0.781	S	S	*	*				100.3	107.8	129.2	0	0	0	0	0	125.5
79	E	27.2	Very low	27	Very low	158 Å²	158	143.6 Å²	143.6	74%	0.738	78%	0.776	S	S	*	*			trans	65.6	122.7	135.7	-63.8	-154.5	147	0	0	128.1
80	K	26.2	Very low	26.8	Very low	161 Å²	161	144.6 Å²	144.6	70%	0.7	77%	0.768	S	S	*	*				78.3	119.7	126	-71.9	175.8	-177.7	147.9	0	125.8
81	S	26.4	Very low	26.6	Very low	104 Å²	104	146 Å²	146	73%	0.727	77%	0.766	S	S	*	*				106.3	121.3	124.8	-74.3	0	0	0	0	124
82	Q	28.6	Very low	26.5	Very low	175 Å²	175	143.9 Å²	143.9	82%	0.818	76%	0.756	S	S	*	*			trans	89	108.9	138.5	-71.6	-179.2	4.8	0	0	124.6
83	T	26.8	Very low	26.6	Very low	120 Å²	120	145.5 Å²	145.5	74%	0.736	76%	0.757	S	S	*	*				47.4	131	126.5	-8.8	0	0	0	0	119.8
84	R	26.6	Very low	26.5	Very low	206 Å²	206	143.1 Å²	143.1	78%	0.777	76%	0.755	S	S	*	*			cis	-172.7	143.8	27.8	-145.3	175	-162.3	-177.9	2.2	110.3
85	Q	25.7	Very low	26.7	Very low	159 Å²	159	143 Å²	143	74%	0.743	75%	0.745	S	S	*	*			trans	57.2	138	151.2	-78.4	173.3	-28.9	0	0	120.1
86	L	22.8	Very low	26.8	Very low	135 Å²	135	141.3 Å²	141.3	71%	0.707	74%	0.737	S	S	*	*			cis	-168.8	136.7	1.6	-133.5	157.3	0	0	0	107.3
87	L	26.2	Very low	26.5	Very low	153 Å²	153	144.6 Å²	144.6	80%	0.801	73%	0.732	S	S	*	*			trans	60	135.9	156.6	-119.9	71.4	0	0	0	121.5
88	E	24.7	Very low	25.9	Very low	173 Å²	173	144.1 Å²	144.1	81%	0.808	72%	0.722	S	S	*	*			trans	72.8	119.8	-175	-62	-175.3	162.3	0	0	113.6
89	T	26.1	Very low	25.9	Very low	110 Å²	110	148.4 Å²	148.4	68%	0.675	73%	0.725	S	S	*	*				179.6	130.7	92.9	21.8	0	0	0	0	108
90	Q	26	Very low	25.8	Very low	140 Å²	140	146.7 Å²	146.7	65%	0.654	73%	0.725	S	S	*	*				87.7	146	87.9	-76	176.3	-11.9	0	0	114.8
91	Q	24.2	Very low	25.9	Very low	160 Å²	160	146.7 Å²	146.7	75%	0.748	73%	0.733	S	S	*	*			trans	68.8	140.4	138.7	-76.5	159	11.1	0	0	116.1
92	S	24.9	Very low	26.1	Very low	87 Å²	87	145.7 Å²	145.7	61%	0.608	73%	0.731	S	S	*	*			cis	-179	169.9	17.4	54.6	0	0	0	0	105
93	Y	25.1	Very low	25.8	Very low	187 Å²	187	142.4 Å²	142.4	73%	0.733	72%	0.722	S	S	*	*			cis	-153.5	129.8	19.3	-101.3	-72	0	0	0	103.5
94	E	24.3	Very low	25.9	Very low	168 Å²	168	142.2 Å²	142.2	79%	0.785	73%	0.726	S	S	*	*				69.3	131.8	101	-93.1	-166.6	-167.5	0	0	113.2
95	T	29.3	Very low	25.9	Very low	98 Å²	98	141.3 Å²	141.3	60%	0.601	73%	0.728	S	S	*	*			cis	-172.6	146.6	10.5	-47.3	0	0	0	0	103.1
96	E	24.6	Very low	25.8	Very low	150 Å²	150	143.6 Å²	143.6	70%	0.701	74%	0.736	S	S	*	*				167.3	131.3	88.2	-96.1	-163.9	151	0	0	112.7
97	W	25.6	Very low	26.2	Very low	189 Å²	189	146.2 Å²	146.2	72%	0.716	74%	0.741	S	S	*	*			trans	62.9	98.8	147.3	-53	116.4	0	0	0	118.9
98	D	26.8	Very low	26	Very low	120 Å²	120	148.1 Å²	148.1	64%	0.642	74%	0.743	S	S	*	*				79.6	123.6	76.8	-90.6	-17.2	0	0	0	115.2
99	M	25	Very low	26.2	Very low	163 Å²	163	145.9 Å²	145.9	80%	0.803	74%	0.737	S	S	*	*			trans	60	132.3	149.1	-62.6	-178.1	6	0	0	116.1
100	V	26.8	Very low	26	Very low	123 Å²	123	150.3 Å²	150.3	75%	0.745	74%	0.742	S	S	*	*				-168.8	125.4	80.2	158.8	0	0	0	0	108.4
101	N	28	Very low	26	Very low	161 Å²	161	149.3 Å²	149.3	86%	0.861	75%	0.746	S	S	*	*			trans	-60.9	153.7	157	-92.4	-48.2	0	0	0	110.8
102	A	29.9	Very low	26.5	Very low	82 Å²	82	150 Å²	150	68%	0.678	76%	0.755	S	S	*	*			trans	87.2	120.2	-176.6	0	0	0	0	0	110.7
103	V	23.2	Very low	26.5	Very low	107 Å²	107	149.4 Å²	149.4	65%	0.648	76%	0.762	S	S	*	*				-155.8	137.7	56.3	-151.5	0	0	0	0	111.3	F105	V103-F105 HydrophobicContact CB-CD2 3.91Å; V103-F105 HydrophobicContact CB-CE2 3.46Å; V103-F105 VanDerWaalsContact CB-CE2 3.46Å; V103-F105 HydrophobicContact CB-CZ 4.19Å; V103-F105 HydrophobicContact CG1-CD2 3.77Å; V103-F105 HydrophobicContact CG1-CE1 4.13Å; V103-F105 HydrophobicContact CG1-CE2 3.04Å; V103-F105 HydrophobicContact CG1-CZ 3.26Å; V103-F105 HydrophobicContact CG2-CE2 4.11Å
104	S	28.8	Very low	27	Very low	116 Å²	116	149.4 Å²	149.4	81%	0.811	77%	0.769	S	S	*	*			trans	-82.6	128.6	167.2	-47.8	0	0	0	0	109.7
105	F	25.4	Very low	27.3	Very low	187 Å²	187	146.6 Å²	146.6	82%	0.82	77%	0.768	S	S	*	*			trans	-134.9	132.5	166	-69.7	-66	0	0	0	113.2	V103	V103-F105 HydrophobicContact CB-CD2 3.91Å; V103-F105 HydrophobicContact CB-CE2 3.46Å; V103-F105 VanDerWaalsContact CB-CE2 3.46Å; V103-F105 HydrophobicContact CB-CZ 4.19Å; V103-F105 HydrophobicContact CG1-CD2 3.77Å; V103-F105 HydrophobicContact CG1-CE1 4.13Å; V103-F105 HydrophobicContact CG1-CE2 3.04Å; V103-F105 HydrophobicContact CG1-CZ 3.26Å; V103-F105 HydrophobicContact CG2-CE2 4.11Å
106	K	23.3	Very low	27.3	Very low	207 Å²	207	147.3 Å²	147.3	90%	0.9	78%	0.777	S	S	*	*			trans	-82.6	155.5	-173.2	-73.3	178.3	173.4	177.8	0	112.5
107	K	32.7	Very low	27.6	Very low	189 Å²	189	146.3 Å²	146.3	82%	0.822	78%	0.776	S	S	*	*			trans	-57.7	140.5	165	-164.9	175.1	-173.8	173.7	0	112
108	K	20.8	Very low	28.1	Very low	194 Å²	194	143.8 Å²	143.8	84%	0.843	78%	0.776	S	S	*	*			trans	-139.1	123.5	164.1	-141.4	178.3	-174.1	-178.5	0	109.8
109	N	29.6	Very low	28.5	Very low	126 Å²	126	145.1 Å²	145.1	67%	0.674	78%	0.778	S	S	*	*			trans	-79.9	146.8	174.8	-67.2	-13.3	0	0	0	110.8
110	Y	22.7	Very low	29.2	Very low	202 Å²	202	140.4 Å²	140.4	79%	0.792	76%	0.761	S	S	*	*			trans	-161.2	109.3	148.1	-94.7	-76.6	0	0	0	108
111	T	25.2	Very low	29.9	Very low	120 Å²	120	141 Å²	141	74%	0.736	76%	0.756	S	S	*	*				73.3	122.3	99	59.4	0	0	0	0	117.1
112	N	35.3	Very low	30.8	Very low	175 Å²	175	140 Å²	140	94%	0.936	75%	0.746	S	S	*	*			trans	-2.9	130.3	162.3	-74.3	7	0	0	0	119.9
113	G	24.6	Very low	31.8	Very low	74 Å²	74	140.8 Å²	140.8	76%	0.763	73%	0.732	S	S	*	*			trans	-163.1	105.9	148.4	0	0	0	0	0	109	S115	G113-S115 PolarHBondContact O-N 2.92Å
114	E	35	Very low	33.3	Very low	186 Å²	186	139 Å²	139	87%	0.869	72%	0.724	S	S	*	*			trans	-63.9	120.1	175.3	-71.5	173.2	140.1	0	0	111
115	S	30.2	Very low	34.9	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	72%	0.72	S	S	*	*			trans	-178.6	62.5	146.9	61	0	0	0	0	112.3	G113	G113-S115 PolarHBondContact O-N 2.92Å
116	S	29.1	Very low	37	Very low	113 Å²	113	136.7 Å²	136.7	79%	0.79	69%	0.692	S	S	*	*			trans	-157.1	40	168.3	-5.6	0	0	0	0	112.9	N118	S116-N118 PolarHBondContact O-N 3.24Å
117	L	32.4	Very low	39.7	Very low	129 Å²	129	129.2 Å²	129.2	68%	0.675	67%	0.668	S	S	*	*			trans	-94.2	90.3	172.2	-74.1	154.2	0	0	0	107.9
118	N	34.7	Very low	42.1	Very low	135 Å²	135	122 Å²	122	72%	0.722	64%	0.637	S	S	*	*	S	Bend	trans	-169.1	-22.8	156.3	-92.7	-16.1	0	0	0	113.9	S116	S116-N118 PolarHBondContact O-N 3.24Å
119	H	36.5	Very low	45.1	Very low	148 Å²	148	115.8 Å²	115.8	69%	0.685	62%	0.618	S	S	*	*	H	α-helix	trans	-80.1	-18.8	175.8	-90.7	-57	0	0	0	114.9
120	S	38.7	Very low	47.7	Very low	64 Å²	64	110.4 Å²	110.4	45%	0.448	59%	0.59	S	S	.	*	H	α-helix	trans	-76.8	-27.7	179.5	56.7	0	0	0	0	113.4
121	H	41.3	Very low	50.6	Low	137 Å²	137	102 Å²	102	63%	0.634	56%	0.558	S	S	*	*	H	α-helix	trans	-76.9	-36.2	-177.3	-89.7	-69.8	0	0	0	113.4	S124	H121-S124 PolarHBondContact O-OG 3.12Å
122	E	46.9	Very low	53.3	Low	140 Å²	140	96.4 Å²	96.4	65%	0.654	52%	0.524	S	S	*	.	H	α-helix	trans	-71	-35	179.5	-75.8	-175.3	157.4	0	0	113.3	R125	E122-R125 WeakPolarHBondContact O-CB 3.43Å; E122-R125 PolarHBondContact O-N 2.89Å
123	R	51.1	Low	55.3	Low	98 Å²	98	90.1 Å²	90.1	37%	0.37	49%	0.494	S	S	.	.	H	α-helix	trans	-77	-24.6	-179.3	-67.9	-177	177.7	-172.4	1.2	113	P50 D53 R125 W126	P50-R123 VanDerWaalsContact CG-O 3.31Å; P50-R123 WeakPolarHBondContact CG-O 3.48Å; D53-R123 IonicContact OD2-CZ 3.03Å; D53-R123 IonicContact OD2-NH1 2.65Å; D53-R123 PolarHBondContact OD2-NH1 3.13Å; D53-R123 IonicContact OD2-NH2 3.12Å; D53-R123 PolarHBondContact OD2-NH2 2.68Å; R123-R125 PolarHBondContact O-N 2.8Å; R123-W126 PolarHBondContact O-N 3.02Å
124	S	54.2	Low	58.1	Low	70 Å²	70	90.5 Å²	90.5	49%	0.49	48%	0.478	S	S	.	.	H	α-helix	trans	-64.1	-21.6	173.7	75.4	0	0	0	0	114.1	H121 W126 A127	H121-S124 PolarHBondContact O-OG 3.12Å; S124-W126 PolarHBondContact O-N 3.42Å; S124-A127 PolarHBondContact O-N 3.4Å
125	R	63.5	Low	60.3	Low	194 Å²	194	81.6 Å²	81.6	73%	0.732	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.1	176.7	178.7	177.3	169.9	172	-3.7	113	E122 R123	E122-R125 WeakPolarHBondContact O-CB 3.43Å; E122-R125 PolarHBondContact O-N 2.89Å; R123-R125 PolarHBondContact O-N 2.8Å
126	W	70	Confident	62.7	Low	60 Å²	60	80.3 Å²	80.3	23%	0.227	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.7	-174.7	-62.6	101	0	0	0	113.5	L16 P18 V31 Y48 P50 R123 S124 P160	L16-W126 HydrophobicContact CD1-CB 4.18Å; L16-W126 HydrophobicContact CD1-CE3 4.19Å; P18-W126 HydrophobicContact CB-CH2 3.45Å; P18-W126 VanDerWaalsContact CB-CH2 3.45Å; P18-W126 HydrophobicContact CB-CZ2 3.71Å; P18-W126 HydrophobicContact CB-CZ3 4.34Å; P18-W126 HydrophobicContact CG-CH2 3.7Å; P18-W126 HydrophobicContact CG-CZ2 3.62Å; P18-W126 HydrophobicContact CG-CZ3 4.38Å; V31-W126 HydrophobicContact CG1-CB 4.12Å; V31-W126 HydrophobicContact CG1-CG 4.3Å; V31-W126 HydrophobicContact CG2-CD2 4.37Å; V31-W126 HydrophobicContact CG2-CG 4.09Å; Y48-W126 WeakPolarHBondContact CD1-O 3.36Å; P50-W126 HydrophobicContact CG-CB 4.31Å; R123-W126 PolarHBondContact O-N 3.02Å; S124-W126 PolarHBondContact O-N 3.42Å; W126-P160 HydrophobicContact CE3-CG 4.46Å; W126-P160 HydrophobicContact CZ3-CG 4.26Å
127	A	79.1	Confident	65.4	Low	49 Å²	49	75 Å²	75	41%	0.405	38%	0.38	S	S	.	.			trans	-73	132	173.3	0	0	0	0	0	110.1	Y48 P50 S124	Y48-A127 WeakPolarHBondContact O-CA 3.32Å; P50-A127 HydrophobicContact CG-CB 4.44Å; S124-A127 PolarHBondContact O-N 3.4Å
128	F	83.3	Confident	68	Low	38 Å²	38	68.8 Å²	68.8	17%	0.167	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155	175.3	67.3	-98.3	0	0	0	111	L16 E47 Y48 V130 V159 L162	L16-F128 HydrophobicContact CD1-CE1 4.35Å; E47-F128 WeakPolarHBondContact CA-O 3.49Å; Y48-F128 HydrophobicContact CD1-CD1 4.4Å; Y48-F128 HydrophobicContact CD1-CE1 4.18Å; Y48-F128 HydrophobicContact CG-CD1 4.42Å; Y48-F128 AromaticContact CG-CE1 3.9Å; Y48-F128 HydrophobicContact CG-CE1 3.9Å; Y48-F128 HydrophobicContact CG-CZ 4.35Å; Y48-F128 PolarHBondContact N-O 2.84Å; Y48-F128 PolarHBondContact O-N 2.63Å; F128-V130 HydrophobicContact CD2-CG2 3.99Å; F128-V130 HydrophobicContact CE2-CG2 4.45Å; F128-V159 HydrophobicContact CD1-CG1 3.99Å; F128-V159 HydrophobicContact CD2-CG1 4.06Å; F128-V159 HydrophobicContact CE1-CG1 3.51Å; F128-V159 HydrophobicContact CE2-CG1 3.61Å; F128-V159 HydrophobicContact CG-CG1 4.25Å; F128-V159 HydrophobicContact CZ-CG1 3.31Å; F128-L162 HydrophobicContact CE1-CD2 4.37Å; F128-L162 HydrophobicContact CZ-CD1 4.42Å; F128-L162 HydrophobicContact CZ-CD2 4.08Å
129	S	83.6	Confident	70.5	Confident	64 Å²	64	63.2 Å²	63.2	45%	0.448	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	128.6	171	-169.8	0	0	0	0	108.7	V46	V46-S129 CarbonylContact O-C 3.39Å; V46-S129 WeakPolarHBondContact O-CA 3.18Å
130	V	84.6	Confident	73	Confident	12 Å²	12	57.6 Å²	57.6	7%	0.073	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130	-177.3	167.9	0	0	0	0	108.5	L45 V46 F128 L135 L152 V159	L45-V130 CarbonylContact C-O 3.5Å; L45-V130 WeakPolarHBondContact CA-O 3.21Å; V46-V130 PolarHBondContact N-O 3.43Å; V46-V130 PolarHBondContact O-N 3.27Å; F128-V130 HydrophobicContact CD2-CG2 3.99Å; F128-V130 HydrophobicContact CE2-CG2 4.45Å; V130-L135 HydrophobicContact CG1-CD2 3.82Å; V130-L135 HydrophobicContact CG1-CG 4Å; V130-L152 HydrophobicContact CB-CD2 4.42Å; V130-L152 HydrophobicContact CG1-CD2 3.38Å; V130-L152 HydrophobicContact CG2-CD2 4.12Å; V130-V159 HydrophobicContact CG2-CG2 4.15Å
131	N	82.6	Confident	75.1	Confident	25 Å²	25	58.5 Å²	58.5	13%	0.134	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135.3	170.5	-164.5	-44	0	0	0	109.7	E43 I44 L45 S133 D134	E43-N131 PolarHBondContact OE2-ND2 3.14Å; E43-N131 VanDerWaalsContact OE2-ND2 3.12Å; I44-N131 PolarHBondContact O-OD1 3Å; L45-N131 HydrophobicContact CD2-CB 3.92Å; N131-S133 PolarHBondContact O-N 3.47Å; N131-S133 PolarHBondContact OD1-N 3.18Å; N131-S133 PolarHBondContact OD1-OG 3.12Å; N131-D134 WeakPolarHBondContact CB-OD2 3.43Å; N131-D134 WeakPolarHBondContact O-CB 3.25Å; N131-D134 PolarHBondContact O-N 2.85Å
132	I	82.6	Confident	76.9	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-59.2	-28.5	177.9	-65.3	-173.7	0	0	0	111.2	I37 I44 V46 D134 L135 L176 F179 A180 T196	I37-I132 HydrophobicContact CG2-CD1 4.33Å; I44-I132 HydrophobicContact CB-CD1 3.92Å; I44-I132 HydrophobicContact CB-CG1 4.34Å; I44-I132 HydrophobicContact CG2-CD1 3.32Å; I44-I132 HydrophobicContact CG2-CG1 4.12Å; I44-I132 PolarHBondContact O-N 3.2Å; V46-I132 HydrophobicContact CG2-CD1 4.25Å; V46-I132 HydrophobicContact CG2-CG1 3.88Å; I132-D134 PolarHBondContact O-N 2.94Å; I132-L135 HydrophobicContact CG1-CD1 4.44Å; I132-L135 HydrophobicContact CG2-CD1 4.44Å; I132-L135 PolarHBondContact O-N 2.89Å; I132-L176 HydrophobicContact CD1-CD1 4.2Å; I132-L176 HydrophobicContact CD1-CG 4.28Å; I132-F179 HydrophobicContact CD1-CB 4.02Å; I132-F179 HydrophobicContact CD1-CD2 4.5Å; I132-A180 HydrophobicContact CG2-CB 3.67Å; I132-T196 HydrophobicContact CG2-CG2 3.72Å; I132-T196 WeakPolarHBondContact O-CG2 3.43Å
133	S	78.2	Confident	77.9	Confident	43 Å²	43	58.6 Å²	58.6	30%	0.301	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-59.5	-27.2	174.3	57.8	0	0	0	0	114.3	N131 K153	N131-S133 PolarHBondContact O-N 3.47Å; N131-S133 PolarHBondContact OD1-N 3.18Å; N131-S133 PolarHBondContact OD1-OG 3.12Å; S133-K153 WeakPolarHBondContact O-CE 3.41Å; S133-K153 PolarHBondContact O-NZ 3.26Å
134	D	82.2	Confident	78.6	Confident	81 Å²	81	57.7 Å²	57.7	43%	0.433	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-95.1	-7.6	-171.3	-53	-15.5	0	0	0	111.5	N131 I132 L152 K153	N131-D134 WeakPolarHBondContact CB-OD2 3.43Å; N131-D134 WeakPolarHBondContact O-CB 3.25Å; N131-D134 PolarHBondContact O-N 2.85Å; I132-D134 PolarHBondContact O-N 2.94Å; D134-L152 CarbonylContact O-C 3.59Å; D134-L152 VanDerWaalsContact O-CA 3.22Å; D134-L152 WeakPolarHBondContact O-CA 3.41Å; D134-K153 PolarHBondContact O-N 3.37Å
135	L	81.1	Confident	79.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.2	173.6	-69	172.7	0	0	0	110.1	V130 I132 L150 L152 L176 V194	V130-L135 HydrophobicContact CG1-CD2 3.82Å; V130-L135 HydrophobicContact CG1-CG 4Å; I132-L135 HydrophobicContact CG1-CD1 4.44Å; I132-L135 HydrophobicContact CG2-CD1 4.44Å; I132-L135 PolarHBondContact O-N 2.89Å; L135-L150 HydrophobicContact CD2-CB 3.84Å; L135-L150 HydrophobicContact CD2-CD1 4.39Å; L135-L150 HydrophobicContact CD2-CD2 4.45Å; L135-L150 HydrophobicContact CD2-CG 4.45Å; L135-L152 HydrophobicContact CD2-CD2 4Å; L135-L176 HydrophobicContact CD1-CD1 4.4Å; L135-V194 HydrophobicContact CB-CB 4.12Å; L135-V194 HydrophobicContact CB-CG1 3.87Å; L135-V194 HydrophobicContact CB-CG2 4.14Å
136	K	81.7	Confident	80.3	Confident	83 Å²	83	53.3 Å²	53.3	36%	0.361	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-47.4	173.3	-177	172.8	-177.3	167.9	0	111.5	Q151 K153 V194	K136-Q151 PolarHBondContact N-O 3.13Å; K136-K153 HydrophobicContact CB-CG 3.83Å; K136-K153 HydrophobicContact CG-CG 4.49Å; K136-V194 PolarHBondContact O-N 3.35Å
137	S	85.2	Confident	81	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	159.1	-178.6	59	0	0	0	0	112.4	Q151 R191 L192	S137-Q151 PolarHBondContact N-O 3.09Å; S137-Q151 PolarHBondContact O-N 3.13Å; S137-R191 VanDerWaalsContact OG-CZ 3.25Å; S137-R191 PolarHBondContact OG-NE 3.22Å; S137-R191 PolarHBondContact OG-NH2 3.37Å; S137-L192 CarbonylContact C-O 3.42Å; S137-L192 WeakPolarHBondContact CA-O 3.32Å; S137-L192 VanDerWaalsContact CB-O 3.23Å; S137-L192 WeakPolarHBondContact CB-O 3.39Å
138	I	87.8	Confident	81.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.2	175.5	-54.8	178.2	0	0	0	108.3	V140 L148 I149 L150 L173 L176 L182 L192 V194	I138-V140 HydrophobicContact CG2-CG2 4.5Å; I138-L148 HydrophobicContact CG2-CB 4.39Å; I138-L148 HydrophobicContact CG2-CD2 4.31Å; I138-I149 CarbonylContact C-O 3.59Å; I138-I149 WeakPolarHBondContact CA-O 3.18Å; I138-L150 HydrophobicContact CB-CD2 4.29Å; I138-L150 HydrophobicContact CD1-CD2 3.84Å; I138-L150 HydrophobicContact CG1-CD2 3.64Å; I138-L150 HydrophobicContact CG2-CD2 3.91Å; I138-L173 HydrophobicContact CD1-CD2 4.19Å; I138-L173 HydrophobicContact CG2-CD2 4.25Å; I138-L176 HydrophobicContact CD1-CD2 3.69Å; I138-L182 HydrophobicContact CD1-CD1 4.48Å; I138-L182 HydrophobicContact CD1-CD2 4.22Å; I138-L192 HydrophobicContact CB-CB 4.42Å; I138-L192 PolarHBondContact N-O 3.36Å; I138-L192 WeakPolarHBondContact O-CB 3.31Å; I138-L192 PolarHBondContact O-N 2.95Å; I138-V194 HydrophobicContact CD1-CG2 4.02Å; I138-V194 HydrophobicContact CG1-CG2 3.72Å
139	T	86.6	Confident	81.4	Confident	17 Å²	17	49.8 Å²	49.8	10%	0.104	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.2	172.6	-59.2	0	0	0	0	109.5	K141 L148 I149 T190	T139-K141 HydrophobicContact CG2-CG 4.19Å; T139-L148 CarbonylContact O-C 3.5Å; T139-L148 WeakPolarHBondContact O-CA 3.34Å; T139-I149 PolarHBondContact N-O 3.19Å; T139-I149 PolarHBondContact O-N 3.5Å; T139-T190 CarbonylContact C-O 3.4Å; T139-T190 WeakPolarHBondContact CA-O 3.4Å
140	V	87.9	Confident	81.5	Confident	31 Å²	31	46.8 Å²	46.8	19%	0.188	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.9	-179.8	-171.9	0	0	0	0	108.5	I138 T146 L148 L173 T190 L192	I138-V140 HydrophobicContact CG2-CG2 4.5Å; V140-T146 HydrophobicContact CG1-CG2 3.88Å; V140-L148 HydrophobicContact CB-CD2 3.98Å; V140-L148 HydrophobicContact CG1-CD2 3.79Å; V140-L148 HydrophobicContact CG2-CD2 3.66Å; V140-L173 HydrophobicContact CG2-CD1 4.22Å; V140-T190 PolarHBondContact N-O 3Å; V140-T190 WeakPolarHBondContact O-CB 3.45Å; V140-L192 HydrophobicContact CG2-CD1 3.85Å; V140-L192 HydrophobicContact CG2-CG 4.26Å
141	K	83.7	Confident	81.5	Confident	82 Å²	82	49 Å²	49	36%	0.357	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.2	175.5	-70.4	-177	176.6	-173	0	110.5	T139 T146 F147	T139-K141 HydrophobicContact CG2-CG 4.19Å; K141-T146 WeakPolarHBondContact O-CA 3.17Å; K141-F147 HydrophobicContact CB-CD1 4.06Å; K141-F147 HydrophobicContact CB-CD2 4.32Å; K141-F147 HydrophobicContact CB-CE1 3.5Å; K141-F147 VanDerWaalsContact CB-CE1 3.5Å; K141-F147 HydrophobicContact CB-CE2 3.79Å; K141-F147 HydrophobicContact CB-CG 4.46Å; K141-F147 HydrophobicContact CB-CZ 3.36Å; K141-F147 HydrophobicContact CD-CE1 4.41Å; K141-F147 HydrophobicContact CD-CE2 3.72Å; K141-F147 HydrophobicContact CD-CZ 3.47Å; K141-F147 VanDerWaalsContact CD-CZ 3.47Å; K141-F147 HydrophobicContact CG-CE2 4.23Å; K141-F147 HydrophobicContact CG-CZ 4.01Å; K141-F147 PolarHBondContact N-O 3.4Å; K141-F147 PolarHBondContact O-N 3.09Å
142	E	79.6	Confident	81.4	Confident	134 Å²	134	49.4 Å²	49.4	63%	0.626	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	100.2	178.2	-67.2	-172.2	170.5	0	0	109.3	T146	E142-T146 HydrophobicContact CG-CG2 4.49Å
143	E	67.1	Low	81.2	Confident	145 Å²	145	53.4 Å²	53.4	68%	0.678	27%	0.274	S	S	*	.	S	Bend	trans	-128.1	75	176.2	-68.6	-175	-173.9	0	0	108.4	W145 F147	E143-W145 PolarHBondContact N-O 3.01Å; E143-W145 PolarHBondContact O-N 2.87Å; E143-F147 HydrophobicContact CB-CE1 4.42Å
144	G	66.1	Low	80.5	Confident	80 Å²	80	59.1 Å²	59.1	83%	0.825	30%	0.302	S	S	*	.	S	Bend	trans	79.2	-39.8	-171.5	0	0	0	0	0	113.9
145	W	70.8	Confident	79.1	Confident	148 Å²	148	57.7 Å²	57.7	56%	0.561	30%	0.298	S	S	*	.	S	Bend	trans	-130.9	157.3	172.7	-29	91.3	0	0	0	109.4	E143 H165	E143-W145 PolarHBondContact N-O 3.01Å; E143-W145 PolarHBondContact O-N 2.87Å; W145-H165 AromaticContact CD1-CE1 3.65Å; W145-H165 AromaticContact CD1-ND1 3.65Å; W145-H165 AromaticContact CD2-ND1 3.59Å; W145-H165 AromaticContact CE2-ND1 3.82Å; W145-H165 AromaticContact CG-CE1 3.91Å; W145-H165 AromaticContact CG-ND1 3.5Å; W145-H165 AromaticContact NE1-CE1 3.93Å; W145-H165 AromaticContact NE1-ND1 3.81Å
146	T	81.6	Confident	77.7	Confident	24 Å²	24	64.4 Å²	64.4	15%	0.147	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132.1	175	-47.2	0	0	0	0	109.9	V140 K141 E142 L148 F164 S169	V140-T146 HydrophobicContact CG1-CG2 3.88Å; K141-T146 WeakPolarHBondContact O-CA 3.17Å; E142-T146 HydrophobicContact CG-CG2 4.49Å; T146-L148 HydrophobicContact CG2-CD2 4.31Å; T146-F164 WeakPolarHBondContact O-CB 3.48Å; T146-F164 PolarHBondContact O-N 3.12Å; T146-S169 PolarHBondContact OG1-OG 3.09Å
147	F	84.9	Confident	76.5	Confident	30 Å²	30	64 Å²	64	13%	0.132	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.1	165.8	65.9	-85.4	0	0	0	111.8	K141 E143 I149 A161 L162 H163	K141-F147 HydrophobicContact CB-CD1 4.06Å; K141-F147 HydrophobicContact CB-CD2 4.32Å; K141-F147 HydrophobicContact CB-CE1 3.5Å; K141-F147 VanDerWaalsContact CB-CE1 3.5Å; K141-F147 HydrophobicContact CB-CE2 3.79Å; K141-F147 HydrophobicContact CB-CG 4.46Å; K141-F147 HydrophobicContact CB-CZ 3.36Å; K141-F147 HydrophobicContact CD-CE1 4.41Å; K141-F147 HydrophobicContact CD-CE2 3.72Å; K141-F147 HydrophobicContact CD-CZ 3.47Å; K141-F147 VanDerWaalsContact CD-CZ 3.47Å; K141-F147 HydrophobicContact CG-CE2 4.23Å; K141-F147 HydrophobicContact CG-CZ 4.01Å; K141-F147 PolarHBondContact N-O 3.4Å; K141-F147 PolarHBondContact O-N 3.09Å; E143-F147 HydrophobicContact CB-CE1 4.42Å; F147-I149 HydrophobicContact CD2-CG1 4.36Å; F147-I149 HydrophobicContact CE2-CD1 4.19Å; F147-A161 HydrophobicContact CD2-CB 4.17Å; F147-L162 CarbonylContact C-O 3.47Å; F147-L162 WeakPolarHBondContact CA-O 3.39Å; F147-L162 WeakPolarHBondContact CB-O 3.35Å; F147-H163 HydrophobicContact CB-CB 4.4Å
148	L	86.5	Confident	75.3	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.6	-175.4	-58.7	-175.5	0	0	0	110.4	I138 T139 V140 T146 L162 F164 F172 L173	I138-L148 HydrophobicContact CG2-CB 4.39Å; I138-L148 HydrophobicContact CG2-CD2 4.31Å; T139-L148 CarbonylContact O-C 3.5Å; T139-L148 WeakPolarHBondContact O-CA 3.34Å; V140-L148 HydrophobicContact CB-CD2 3.98Å; V140-L148 HydrophobicContact CG1-CD2 3.79Å; V140-L148 HydrophobicContact CG2-CD2 3.66Å; T146-L148 HydrophobicContact CG2-CD2 4.31Å; L148-L162 HydrophobicContact CB-CB 4.42Å; L148-L162 PolarHBondContact N-O 2.87Å; L148-L162 PolarHBondContact O-N 2.67Å; L148-F164 HydrophobicContact CB-CE2 4.08Å; L148-F164 HydrophobicContact CD1-CD2 4.38Å; L148-F164 HydrophobicContact CD1-CE2 3.49Å; L148-F164 VanDerWaalsContact CD1-CE2 3.49Å; L148-F164 HydrophobicContact CD1-CZ 3.73Å; L148-F164 HydrophobicContact CG-CD2 4.15Å; L148-F164 HydrophobicContact CG-CE2 3.59Å; L148-F164 HydrophobicContact CG-CZ 4.34Å; L148-F172 HydrophobicContact CD1-CD1 3.63Å; L148-F172 HydrophobicContact CD1-CE1 3.98Å; L148-L173 HydrophobicContact CD1-CD2 4.19Å; L148-L173 HydrophobicContact CD1-CG 4.21Å; L148-L173 HydrophobicContact CD2-CD1 4.38Å
149	I	86	Confident	74.5	Confident	43 Å²	43	68.1 Å²	68.1	22%	0.221	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117	173.4	-56.4	172.3	0	0	0	108.3	I138 T139 F147 A161	I138-I149 CarbonylContact C-O 3.59Å; I138-I149 WeakPolarHBondContact CA-O 3.18Å; T139-I149 PolarHBondContact N-O 3.19Å; T139-I149 PolarHBondContact O-N 3.5Å; F147-I149 HydrophobicContact CD2-CG1 4.36Å; F147-I149 HydrophobicContact CE2-CD1 4.19Å; I149-A161 HydrophobicContact CG1-CB 4.03Å
150	L	85.7	Confident	74	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.8	177.6	-52.1	178.9	0	0	0	109.4	V46 L135 I138 V159 L162	V46-L150 HydrophobicContact CG1-CD1 4.3Å; L135-L150 HydrophobicContact CD2-CB 3.84Å; L135-L150 HydrophobicContact CD2-CD1 4.39Å; L135-L150 HydrophobicContact CD2-CD2 4.45Å; L135-L150 HydrophobicContact CD2-CG 4.45Å; I138-L150 HydrophobicContact CB-CD2 4.29Å; I138-L150 HydrophobicContact CD1-CD2 3.84Å; I138-L150 HydrophobicContact CG1-CD2 3.64Å; I138-L150 HydrophobicContact CG2-CD2 3.91Å; L150-V159 HydrophobicContact CB-CB 4.06Å; L150-V159 HydrophobicContact CB-CG2 4.06Å; L150-V159 PolarHBondContact O-N 3.14Å; L150-L162 HydrophobicContact CD1-CD1 3.93Å; L150-L162 HydrophobicContact CG-CD1 4.15Å
151	Q	82.9	Confident	73.6	Confident	59 Å²	59	69 Å²	69	28%	0.276	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.1	176.9	-173.3	170.5	-5.8	0	0	110.4	K136 S137	K136-Q151 PolarHBondContact N-O 3.13Å; S137-Q151 PolarHBondContact N-O 3.09Å; S137-Q151 PolarHBondContact O-N 3.13Å
152	L	81.6	Confident	73.7	Confident	34 Å²	34	65.1 Å²	65.1	18%	0.178	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	159.3	-179.9	-54.9	179.7	0	0	0	112	V130 D134 L135	V130-L152 HydrophobicContact CB-CD2 4.42Å; V130-L152 HydrophobicContact CG1-CD2 3.38Å; V130-L152 HydrophobicContact CG2-CD2 4.12Å; D134-L152 CarbonylContact O-C 3.59Å; D134-L152 VanDerWaalsContact O-CA 3.22Å; D134-L152 WeakPolarHBondContact O-CA 3.41Å; L135-L152 HydrophobicContact CD2-CD2 4Å
153	K	77.1	Confident	73.8	Confident	87 Å²	87	60.1 Å²	60.1	38%	0.378	35%	0.349	S	S	.	.	S	Bend	trans	-69.7	-39.4	179.5	-70.5	177.2	178.4	174.8	0	113.2	S133 D134 K136 E247	S133-K153 WeakPolarHBondContact O-CE 3.41Å; S133-K153 PolarHBondContact O-NZ 3.26Å; D134-K153 PolarHBondContact O-N 3.37Å; K136-K153 HydrophobicContact CB-CG 3.83Å; K136-K153 HydrophobicContact CG-CG 4.49Å; K153-E247 IonicContact NZ-OE2 3.43Å
154	D	63.7	Low	74.6	Confident	164 Å²	164	53.4 Å²	53.4	88%	0.877	32%	0.318	S	S	*	.	S	Bend	trans	-100.9	-0.5	-168.6	-96.5	-5.2	0	0	0	115.9
155	S	53.3	Low	75.1	Confident	51 Å²	51	52.2 Å²	52.2	36%	0.357	29%	0.291	S	S	.	.			trans	-134.1	133.8	-172.3	-38.3	0	0	0	0	112.7	S157	S155-S157 VanDerWaalsContact CB-OG 3.28Å; S155-S157 WeakPolarHBondContact CB-OG 3.4Å; S155-S157 PolarHBondContact O-N 3.35Å; S155-S157 VanDerWaalsContact O-N 3.15Å
156	S	51.8	Low	75.1	Confident	141 Å²	141	52.1 Å²	52.1	99%	0.986	30%	0.297	S	S	*	.	S	Bend	trans	-70	3.4	166.4	52.4	0	0	0	0	113.6
157	S	55.6	Low	74.7	Confident	73 Å²	73	52.7 Å²	52.7	51%	0.51	31%	0.307	S	S	.	.			trans	-97.7	114.3	173.8	58.1	0	0	0	0	110.5	S155	S155-S157 VanDerWaalsContact CB-OG 3.28Å; S155-S157 WeakPolarHBondContact CB-OG 3.4Å; S155-S157 PolarHBondContact O-N 3.35Å; S155-S157 VanDerWaalsContact O-N 3.15Å
158	S	60.1	Low	74.4	Confident	74 Å²	74	51.6 Å²	51.6	52%	0.517	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-71.3	146.2	167.2	53.5	0	0	0	0	110.6
159	V	72.4	Confident	74.2	Confident	13 Å²	13	52 Å²	52	8%	0.079	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-59.8	145.9	165.2	-178.9	0	0	0	0	108.3	F128 V130 L150	F128-V159 HydrophobicContact CD1-CG1 3.99Å; F128-V159 HydrophobicContact CD2-CG1 4.06Å; F128-V159 HydrophobicContact CE1-CG1 3.51Å; F128-V159 HydrophobicContact CE2-CG1 3.61Å; F128-V159 HydrophobicContact CG-CG1 4.25Å; F128-V159 HydrophobicContact CZ-CG1 3.31Å; V130-V159 HydrophobicContact CG2-CG2 4.15Å; L150-V159 HydrophobicContact CB-CB 4.06Å; L150-V159 HydrophobicContact CB-CG2 4.06Å; L150-V159 PolarHBondContact O-N 3.14Å
160	P	75.3	Confident	74	Confident	46 Å²	46	58 Å²	58	30%	0.299	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-51.6	146	175.7	-26.9	35.3	0	0	0	111.9	L16 W126 L162	L16-P160 HydrophobicContact CD1-CB 4.4Å; L16-P160 HydrophobicContact CD2-CB 4.06Å; W126-P160 HydrophobicContact CE3-CG 4.46Å; W126-P160 HydrophobicContact CZ3-CG 4.26Å; P160-L162 PolarHBondContact O-N 2.69Å
161	A	80.7	Confident	73.7	Confident	22 Å²	22	63.2 Å²	63.2	18%	0.182	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-60.9	130.6	179.4	0	0	0	0	0	110.2	L16 F147 I149 H163	L16-A161 WeakPolarHBondContact CD2-O 3.3Å; F147-A161 HydrophobicContact CD2-CB 4.17Å; I149-A161 HydrophobicContact CG1-CB 4.03Å; A161-H163 WeakPolarHBondContact CB-NE2 3.34Å; A161-H163 PolarHBondContact O-CD2 3.21Å; A161-H163 VanDerWaalsContact O-CD2 3.29Å
162	L	84.7	Confident	73.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112.1	178.7	-67.5	161.9	0	0	0	108.7	I14 L16 L35 Y48 F128 F147 L148 L150 P160 F164	I14-L162 HydrophobicContact CG2-CB 4.12Å; I14-L162 HydrophobicContact CG2-CD2 3.7Å; L16-L162 HydrophobicContact CD2-CD2 3.48Å; L16-L162 VanDerWaalsContact CD2-CD2 3.48Å; L16-L162 HydrophobicContact CD2-CG 4.17Å; L35-L162 HydrophobicContact CD1-CD1 4.29Å; L35-L162 HydrophobicContact CD1-CD2 4.29Å; L35-L162 HydrophobicContact CD2-CD1 4.12Å; Y48-L162 HydrophobicContact CD2-CD2 4.03Å; Y48-L162 HydrophobicContact CE2-CD2 4.49Å; F128-L162 HydrophobicContact CE1-CD2 4.37Å; F128-L162 HydrophobicContact CZ-CD1 4.42Å; F128-L162 HydrophobicContact CZ-CD2 4.08Å; F147-L162 CarbonylContact C-O 3.47Å; F147-L162 WeakPolarHBondContact CA-O 3.39Å; F147-L162 WeakPolarHBondContact CB-O 3.35Å; L148-L162 HydrophobicContact CB-CB 4.42Å; L148-L162 PolarHBondContact N-O 2.87Å; L148-L162 PolarHBondContact O-N 2.67Å; L150-L162 HydrophobicContact CD1-CD1 3.93Å; L150-L162 HydrophobicContact CG-CD1 4.15Å; P160-L162 PolarHBondContact O-N 2.69Å; L162-F164 HydrophobicContact CB-CE2 3.92Å; L162-F164 WeakPolarHBondContact O-CD2 3.21Å
163	H	82.1	Confident	73.8	Confident	29 Å²	29	59.3 Å²	59.3	13%	0.134	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.2	-176.5	-66	-115.9	0	0	0	111.1	F15 H17 F147 A161	F15-H163 HydrophobicContact CB-CB 4.33Å; F15-H163 PolarHBondContact N-O 2.91Å; F15-H163 WeakPolarHBondContact O-CB 3.45Å; F15-H163 PolarHBondContact O-N 3.16Å; H17-H163 AromaticContact CD2-CD2 3.13Å; H17-H163 PolarHBondContact CD2-CD2 2.94Å; H17-H163 AromaticContact CD2-CE1 3.49Å; H17-H163 PolarHBondContact CD2-CE1 3.42Å; H17-H163 VanDerWaalsContact CD2-CE1 3.49Å; H17-H163 AromaticContact CD2-CG 3.3Å; H17-H163 AromaticContact CD2-ND1 3.52Å; H17-H163 AromaticContact CD2-NE2 3.28Å; H17-H163 PolarHBondContact CD2-NE2 2.91Å; H17-H163 VanDerWaalsContact CD2-NE2 3.28Å; H17-H163 AromaticContact CG-NE2 3.76Å; H17-H163 AromaticContact NE2-CD2 3.83Å; H17-H163 AromaticContact NE2-CE1 3.74Å; H17-H163 AromaticContact NE2-CG 3.49Å; H17-H163 AromaticContact NE2-ND1 3.43Å; H17-H163 PolarHBondContact NE2-ND1 2.9Å; H17-H163 AromaticContact NE2-NE2 4Å; F147-H163 HydrophobicContact CB-CB 4.4Å; A161-H163 WeakPolarHBondContact CB-NE2 3.34Å; A161-H163 PolarHBondContact O-CD2 3.21Å; A161-H163 VanDerWaalsContact O-CD2 3.29Å
164	F	84.1	Confident	73.7	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	80.5	-178	-67.9	-105	0	0	0	109.5	I14 L35 T146 L148 L162 G167 S169 F172	I14-F164 HydrophobicContact CD1-CB 4.46Å; I14-F164 HydrophobicContact CD1-CD1 3.18Å; I14-F164 HydrophobicContact CD1-CD2 4.3Å; I14-F164 HydrophobicContact CD1-CE1 3.29Å; I14-F164 HydrophobicContact CD1-CE2 4.35Å; I14-F164 HydrophobicContact CD1-CG 3.74Å; I14-F164 HydrophobicContact CD1-CZ 3.9Å; I14-F164 HydrophobicContact CG1-CE1 4.35Å; L35-F164 HydrophobicContact CD2-CE1 4.47Å; L35-F164 HydrophobicContact CD2-CZ 3.85Å; T146-F164 WeakPolarHBondContact O-CB 3.48Å; T146-F164 PolarHBondContact O-N 3.12Å; L148-F164 HydrophobicContact CB-CE2 4.08Å; L148-F164 HydrophobicContact CD1-CD2 4.38Å; L148-F164 HydrophobicContact CD1-CE2 3.49Å; L148-F164 VanDerWaalsContact CD1-CE2 3.49Å; L148-F164 HydrophobicContact CD1-CZ 3.73Å; L148-F164 HydrophobicContact CG-CD2 4.15Å; L148-F164 HydrophobicContact CG-CE2 3.59Å; L148-F164 HydrophobicContact CG-CZ 4.34Å; L162-F164 HydrophobicContact CB-CE2 3.92Å; L162-F164 WeakPolarHBondContact O-CD2 3.21Å; F164-G167 WeakPolarHBondContact CD1-O 3.27Å; F164-S169 VanDerWaalsContact CD1-CA 3.41Å; F164-F172 HydrophobicContact CE1-CB 4.12Å; F164-F172 HydrophobicContact CZ-CB 4.3Å; F164-F172 HydrophobicContact CZ-CD1 4.12Å; F164-F172 HydrophobicContact CZ-CG 4.27Å
165	H	75.4	Confident	74.4	Confident	55 Å²	55	51.2 Å²	51.2	26%	0.255	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-23.5	-179.2	-70.6	-81.2	0	0	0	113.4	F15 H17 W145	F15-H165 HydrophobicContact CD2-CB 4.32Å; F15-H165 AromaticContact CD2-CD2 3.47Å; F15-H165 VanDerWaalsContact CD2-CD2 3.47Å; F15-H165 WeakPolarHBondContact CD2-CD2 3.34Å; F15-H165 HydrophobicContact CE2-CB 4.24Å; F15-H165 AromaticContact CG-CD2 3.98Å; H17-H165 AromaticContact NE2-NE2 3.68Å; W145-H165 AromaticContact CD1-CE1 3.65Å; W145-H165 AromaticContact CD1-ND1 3.65Å; W145-H165 AromaticContact CD2-ND1 3.59Å; W145-H165 AromaticContact CE2-ND1 3.82Å; W145-H165 AromaticContact CG-CE1 3.91Å; W145-H165 AromaticContact CG-ND1 3.5Å; W145-H165 AromaticContact NE1-CE1 3.93Å; W145-H165 AromaticContact NE1-ND1 3.81Å
166	Q	71.3	Confident	75.5	Confident	146 Å²	146	48.8 Å²	48.8	68%	0.682	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	18.4	-175.7	-59.4	-175	9.8	0	0	113.5
167	G	72.6	Confident	76.6	Confident	35 Å²	35	46.8 Å²	46.8	36%	0.361	25%	0.248	S	C	.	.	S	Bend	trans	82.1	-161.6	-170.8	0	0	0	0	0	111.8	H11 F164 S169	H11-G167 PolarHBondContact NE2-O 3Å; F164-G167 WeakPolarHBondContact CD1-O 3.27Å; G167-S169 PolarHBondContact O-N 3.04Å
168	G	78.5	Confident	77.3	Confident	8 Å²	8	49.4 Å²	49.4	8%	0.082	25%	0.247	C	C	.	.			trans	91.3	-13.3	177.7	0	0	0	0	0	115.8	R170 E171 F172	G168-R170 VanDerWaalsContact C-N 3.35Å; G168-R170 PolarHBondContact O-N 2.88Å; G168-E171 VanDerWaalsContact C-OE2 3.23Å; G168-E171 WeakPolarHBondContact CA-OE2 2.86Å; G168-E171 PolarHBondContact N-OE2 2.89Å; G168-E171 PolarHBondContact O-N 3.02Å; G168-F172 WeakPolarHBondContact O-CB 2.97Å; G168-F172 PolarHBondContact O-N 2.81Å
169	S	82.9	Confident	77.7	Confident	8 Å²	8	48.6 Å²	48.6	6%	0.056	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-37.5	-178.7	59.9	0	0	0	0	112.3	T146 F164 G167 L173	T146-S169 PolarHBondContact OG1-OG 3.09Å; F164-S169 VanDerWaalsContact CD1-CA 3.41Å; G167-S169 PolarHBondContact O-N 3.04Å; S169-L173 VanDerWaalsContact O-CG 3.28Å; S169-L173 WeakPolarHBondContact O-CG 3.44Å; S169-L173 PolarHBondContact O-N 2.97Å
170	R	81.2	Confident	77.7	Confident	169 Å²	169	48.2 Å²	48.2	64%	0.638	23%	0.232	S	C	*	.	H	α-helix	trans	-70.9	-43.3	177.8	-68.2	-177.5	176.6	170	0.7	111	G168 F172 L173 D174	G168-R170 VanDerWaalsContact C-N 3.35Å; G168-R170 PolarHBondContact O-N 2.88Å; R170-F172 VanDerWaalsContact C-N 3.33Å; R170-F172 PolarHBondContact O-N 3.43Å; R170-L173 PolarHBondContact O-N 2.81Å; R170-D174 VanDerWaalsContact O-CB 3.3Å; R170-D174 WeakPolarHBondContact O-CB 3.34Å; R170-D174 VanDerWaalsContact O-CG 3.31Å; R170-D174 PolarHBondContact O-N 2.54Å
171	E	80.9	Confident	77.4	Confident	109 Å²	109	49.9 Å²	49.9	51%	0.509	24%	0.238	S	C	.	.	H	α-helix	trans	-64.7	-38.4	177.7	-64.3	79	-178.4	0	0	111.6	F9 G168 S175	F9-E171 HydrophobicContact CE2-CB 3.88Å; G168-E171 VanDerWaalsContact C-OE2 3.23Å; G168-E171 WeakPolarHBondContact CA-OE2 2.86Å; G168-E171 PolarHBondContact N-OE2 2.89Å; G168-E171 PolarHBondContact O-N 3.02Å; E171-S175 VanDerWaalsContact O-CB 3.31Å; E171-S175 WeakPolarHBondContact O-CB 3.48Å; E171-S175 PolarHBondContact O-N 3.45Å; E171-S175 PolarHBondContact O-OG 2.8Å
172	F	83.9	Confident	77.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-52.4	172.5	174.5	-106.9	0	0	0	111.1	F9 L35 I37 V46 L148 F164 G168 R170 D174 S175 L176	F9-F172 AromaticContact CD1-CD2 3.77Å; F9-F172 HydrophobicContact CD1-CD2 3.77Å; F9-F172 HydrophobicContact CE1-CB 3.82Å; F9-F172 AromaticContact CE1-CD2 3.58Å; F9-F172 HydrophobicContact CE1-CD2 3.58Å; F9-F172 HydrophobicContact CE1-CG 4.17Å; F9-F172 HydrophobicContact CE2-CB 4.25Å; F9-F172 HydrophobicContact CZ-CB 3.6Å; F9-F172 HydrophobicContact CZ-CD2 4.25Å; F9-F172 HydrophobicContact CZ-CG 4.43Å; L35-F172 HydrophobicContact CD2-CD1 4.19Å; L35-F172 HydrophobicContact CD2-CD2 3.57Å; L35-F172 HydrophobicContact CD2-CE1 4.04Å; L35-F172 HydrophobicContact CD2-CE2 3.41Å; L35-F172 VanDerWaalsContact CD2-CE2 3.41Å; L35-F172 HydrophobicContact CD2-CG 3.96Å; L35-F172 HydrophobicContact CD2-CZ 3.66Å; L35-F172 HydrophobicContact CG-CD2 4.15Å; L35-F172 HydrophobicContact CG-CE2 3.8Å; L35-F172 HydrophobicContact CG-CZ 4.34Å; I37-F172 HydrophobicContact CD1-CD2 4.1Å; I37-F172 HydrophobicContact CD1-CE2 3.92Å; I37-F172 HydrophobicContact CG1-CD2 4.28Å; I37-F172 HydrophobicContact CG1-CE2 3.85Å; V46-F172 HydrophobicContact CG1-CE2 4.1Å; V46-F172 HydrophobicContact CG1-CZ 3.91Å; V46-F172 HydrophobicContact CG2-CZ 4.43Å; L148-F172 HydrophobicContact CD1-CD1 3.63Å; L148-F172 HydrophobicContact CD1-CE1 3.98Å; F164-F172 HydrophobicContact CE1-CB 4.12Å; F164-F172 HydrophobicContact CZ-CB 4.3Å; F164-F172 HydrophobicContact CZ-CD1 4.12Å; F164-F172 HydrophobicContact CZ-CG 4.27Å; G168-F172 WeakPolarHBondContact O-CB 2.97Å; G168-F172 PolarHBondContact O-N 2.81Å; R170-F172 VanDerWaalsContact C-N 3.33Å; R170-F172 PolarHBondContact O-N 3.43Å; F172-D174 VanDerWaalsContact C-N 3.31Å; F172-D174 PolarHBondContact O-N 3.38Å; F172-S175 WeakPolarHBondContact O-CB 3.44Å; F172-S175 PolarHBondContact O-N 3.01Å; F172-S175 VanDerWaalsContact O-N 3.16Å; F172-L176 HydrophobicContact CE1-CD1 4.32Å; F172-L176 HydrophobicContact CE2-CD1 4.41Å; F172-L176 HydrophobicContact CZ-CD1 3.87Å; F172-L176 WeakPolarHBondContact O-CB 3.49Å; F172-L176 PolarHBondContact O-N 2.88Å
173	L	82.8	Confident	76.6	Confident	12 Å²	12	53.2 Å²	53.2	6%	0.063	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-38.5	177.5	-70.3	173.3	0	0	0	111.9	I138 V140 L148 S169 R170 S175 L176 R177 L182 L192	I138-L173 HydrophobicContact CD1-CD2 4.19Å; I138-L173 HydrophobicContact CG2-CD2 4.25Å; V140-L173 HydrophobicContact CG2-CD1 4.22Å; L148-L173 HydrophobicContact CD1-CD2 4.19Å; L148-L173 HydrophobicContact CD1-CG 4.21Å; L148-L173 HydrophobicContact CD2-CD1 4.38Å; S169-L173 VanDerWaalsContact O-CG 3.28Å; S169-L173 WeakPolarHBondContact O-CG 3.44Å; S169-L173 PolarHBondContact O-N 2.97Å; R170-L173 PolarHBondContact O-N 2.81Å; L173-S175 VanDerWaalsContact C-N 3.32Å; L173-S175 PolarHBondContact O-N 3.41Å; L173-L176 PolarHBondContact O-N 3.18Å; L173-R177 WeakPolarHBondContact O-CB 3.25Å; L173-R177 VanDerWaalsContact O-CG 3.28Å; L173-R177 WeakPolarHBondContact O-CG 3.44Å; L173-R177 PolarHBondContact O-N 2.95Å; L173-L182 HydrophobicContact CD2-CD1 4.06Å; L173-L192 HydrophobicContact CD1-CD1 4.43Å; L173-L192 HydrophobicContact CD2-CD1 4.36Å
174	D	75.4	Confident	76.3	Confident	69 Å²	69	58.7 Å²	58.7	37%	0.369	28%	0.279	S	S	.	.	H	α-helix	trans	-68.2	-31.4	176.6	-80	-21.1	0	0	0	113.4	R170 F172 R177 K221	R170-D174 VanDerWaalsContact O-CB 3.3Å; R170-D174 WeakPolarHBondContact O-CB 3.34Å; R170-D174 VanDerWaalsContact O-CG 3.31Å; R170-D174 PolarHBondContact O-N 2.54Å; F172-D174 VanDerWaalsContact C-N 3.31Å; F172-D174 PolarHBondContact O-N 3.38Å; D174-R177 IonicContact OD1-CZ 2.69Å; D174-R177 IonicContact OD1-NH1 3.22Å; D174-R177 PolarHBondContact OD1-NH1 3.1Å; D174-K221 PolarHBondContact O-NZ 3.12Å
175	S	77.8	Confident	75.8	Confident	11 Å²	11	59 Å²	59	8%	0.077	28%	0.282	C	S	.	.	H	α-helix	trans	-73	-40	172.8	-60.8	0	0	0	0	110.9	F9 E171 F172 L173 R177 R178 F179	F9-S175 VanDerWaalsContact CD2-OG 3.32Å; F9-S175 WeakPolarHBondContact CD2-OG 3.14Å; E171-S175 VanDerWaalsContact O-CB 3.31Å; E171-S175 WeakPolarHBondContact O-CB 3.48Å; E171-S175 PolarHBondContact O-N 3.45Å; E171-S175 PolarHBondContact O-OG 2.8Å; F172-S175 WeakPolarHBondContact O-CB 3.44Å; F172-S175 PolarHBondContact O-N 3.01Å; F172-S175 VanDerWaalsContact O-N 3.16Å; L173-S175 VanDerWaalsContact C-N 3.32Å; L173-S175 PolarHBondContact O-N 3.41Å; S175-R177 PolarHBondContact O-N 2.79Å; S175-R178 VanDerWaalsContact O-CB 3.25Å; S175-R178 WeakPolarHBondContact O-CB 3.39Å; S175-R178 WeakPolarHBondContact O-CG 3.31Å; S175-R178 PolarHBondContact O-N 3.29Å; S175-R178 VanDerWaalsContact O-N 3.13Å; S175-F179 WeakPolarHBondContact O-CD2 3.44Å
176	L	75.3	Confident	75.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-35.9	176.3	-157.6	120.5	0	0	0	112.3	I37 V46 I132 L135 I138 F172 L173 R178 F179 A180 L182	I37-L176 HydrophobicContact CD1-CB 4.14Å; I37-L176 HydrophobicContact CD1-CD1 4.23Å; V46-L176 HydrophobicContact CG2-CD1 3.69Å; I132-L176 HydrophobicContact CD1-CD1 4.2Å; I132-L176 HydrophobicContact CD1-CG 4.28Å; L135-L176 HydrophobicContact CD1-CD1 4.4Å; I138-L176 HydrophobicContact CD1-CD2 3.69Å; F172-L176 HydrophobicContact CE1-CD1 4.32Å; F172-L176 HydrophobicContact CE2-CD1 4.41Å; F172-L176 HydrophobicContact CZ-CD1 3.87Å; F172-L176 WeakPolarHBondContact O-CB 3.49Å; F172-L176 PolarHBondContact O-N 2.88Å; L173-L176 PolarHBondContact O-N 3.18Å; L176-R178 PolarHBondContact O-N 3.5Å; L176-F179 PolarHBondContact O-N 3.23Å; L176-A180 HydrophobicContact CD2-CB 4.48Å; L176-A180 PolarHBondContact O-N 3.46Å; L176-L182 HydrophobicContact CD2-CD1 3.9Å; L176-L182 HydrophobicContact CD2-CD2 3.78Å; L176-L182 HydrophobicContact CD2-CG 4.21Å
177	R	75.6	Confident	75.3	Confident	99 Å²	99	64.2 Å²	64.2	37%	0.374	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.1	171.4	-77.5	176.9	-172.4	114.5	6.9	114.4	L173 D174 S175 F179 A180 L182	L173-R177 WeakPolarHBondContact O-CB 3.25Å; L173-R177 VanDerWaalsContact O-CG 3.28Å; L173-R177 WeakPolarHBondContact O-CG 3.44Å; L173-R177 PolarHBondContact O-N 2.95Å; D174-R177 IonicContact OD1-CZ 2.69Å; D174-R177 IonicContact OD1-NH1 3.22Å; D174-R177 PolarHBondContact OD1-NH1 3.1Å; S175-R177 PolarHBondContact O-N 2.79Å; R177-F179 VanDerWaalsContact C-N 3.3Å; R177-A180 WeakPolarHBondContact CA-O 3.35Å; R177-L182 HydrophobicContact CG-CB 4.24Å; R177-L182 HydrophobicContact CG-CD1 3.8Å; R177-L182 HydrophobicContact CG-CG 3.98Å
178	R	70.1	Confident	75.5	Confident	128 Å²	128	65.8 Å²	65.8	48%	0.483	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-19	173.3	-57.7	178.2	-175	-175.5	1.2	112.4	S175 L176	S175-R178 VanDerWaalsContact O-CB 3.25Å; S175-R178 WeakPolarHBondContact O-CB 3.39Å; S175-R178 WeakPolarHBondContact O-CG 3.31Å; S175-R178 PolarHBondContact O-N 3.29Å; S175-R178 VanDerWaalsContact O-N 3.13Å; L176-R178 PolarHBondContact O-N 3.5Å
179	F	69.6	Low	75.1	Confident	58 Å²	58	73.2 Å²	73.2	25%	0.254	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-23.6	-172.4	-53.2	-73.6	0	0	0	113.4	I8 I37 I44 I132 S175 L176 R177	I8-F179 HydrophobicContact CB-CE2 4.41Å; I8-F179 HydrophobicContact CB-CZ 4.42Å; I8-F179 HydrophobicContact CD1-CE1 4.01Å; I8-F179 HydrophobicContact CD1-CE2 3.76Å; I8-F179 HydrophobicContact CD1-CZ 3.34Å; I8-F179 HydrophobicContact CG1-CE2 4.48Å; I8-F179 HydrophobicContact CG1-CZ 4.06Å; I8-F179 HydrophobicContact CG2-CE2 3.66Å; I8-F179 HydrophobicContact CG2-CZ 3.76Å; I37-F179 HydrophobicContact CG2-CD2 4.35Å; I37-F179 HydrophobicContact CG2-CE2 4.27Å; I44-F179 HydrophobicContact CB-CG 4.49Å; I44-F179 HydrophobicContact CD1-CD1 3.88Å; I44-F179 HydrophobicContact CD1-CE1 3.89Å; I44-F179 HydrophobicContact CG1-CB 4.39Å; I44-F179 HydrophobicContact CG1-CD1 3.73Å; I44-F179 HydrophobicContact CG1-CE1 4.26Å; I44-F179 HydrophobicContact CG1-CG 4.08Å; I44-F179 HydrophobicContact CG2-CB 4.4Å; I44-F179 HydrophobicContact CG2-CD1 4.36Å; I44-F179 HydrophobicContact CG2-CD2 4.09Å; I44-F179 HydrophobicContact CG2-CG 4Å; I132-F179 HydrophobicContact CD1-CB 4.02Å; I132-F179 HydrophobicContact CD1-CD2 4.5Å; S175-F179 WeakPolarHBondContact O-CD2 3.44Å; L176-F179 PolarHBondContact O-N 3.23Å; R177-F179 VanDerWaalsContact C-N 3.3Å
180	A	72.3	Confident	74.9	Confident	5 Å²	5	75.4 Å²	75.4	4%	0.041	36%	0.363	C	S	.	.	S	Bend	trans	-133.7	148.2	174.7	0	0	0	0	0	111.7	I132 L176 R177 V194 T196	I132-A180 HydrophobicContact CG2-CB 3.67Å; L176-A180 HydrophobicContact CD2-CB 4.48Å; L176-A180 PolarHBondContact O-N 3.46Å; R177-A180 WeakPolarHBondContact CA-O 3.35Å; A180-V194 HydrophobicContact CB-CG1 3.69Å; A180-T196 HydrophobicContact CB-CG2 4.03Å
181	L	69.3	Low	74.9	Confident	80 Å²	80	70.3 Å²	70.3	42%	0.419	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.3	170.4	-177	67.4	0	0	0	108.9	S195	L181-S195 PolarHBondContact N-O 2.86Å; L181-S195 PolarHBondContact O-N 2.86Å
182	L	75.1	Confident	74.9	Confident	21 Å²	21	65.8 Å²	65.8	11%	0.11	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	109.6	178.3	-59.4	-172.8	0	0	0	109.8	I138 L173 L176 R177 L192 L193 V194	I138-L182 HydrophobicContact CD1-CD1 4.48Å; I138-L182 HydrophobicContact CD1-CD2 4.22Å; L173-L182 HydrophobicContact CD2-CD1 4.06Å; L176-L182 HydrophobicContact CD2-CD1 3.9Å; L176-L182 HydrophobicContact CD2-CD2 3.78Å; L176-L182 HydrophobicContact CD2-CG 4.21Å; R177-L182 HydrophobicContact CG-CB 4.24Å; R177-L182 HydrophobicContact CG-CD1 3.8Å; R177-L182 HydrophobicContact CG-CG 3.98Å; L182-L192 HydrophobicContact CD1-CD1 4.43Å; L182-L193 WeakPolarHBondContact CA-O 3.28Å; L182-V194 HydrophobicContact CD2-CB 4.17Å; L182-V194 HydrophobicContact CD2-CG1 4.11Å; L182-V194 HydrophobicContact CD2-CG2 3.6Å
183	T	71.6	Confident	74.6	Confident	72 Å²	72	69.1 Å²	69.1	44%	0.442	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.1	-177.9	-47.9	0	0	0	0	110	L192 L193	T183-L192 CarbonylContact O-C 3.55Å; T183-L192 VanDerWaalsContact O-CA 3.31Å; T183-L192 WeakPolarHBondContact O-CA 3.44Å; T183-L193 PolarHBondContact N-O 3.32Å; T183-L193 PolarHBondContact O-N 3.08Å
184	K	77	Confident	74.3	Confident	143 Å²	143	69.2 Å²	69.2	62%	0.622	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	137.2	175.2	-68.8	-173.7	176.1	-169.8	0	110.5	L192	K184-L192 HydrophobicContact CG-CD2 3.82Å
185	S	73	Confident	74	Confident	12 Å²	12	67.6 Å²	67.6	8%	0.084	34%	0.335	C	S	.	.			trans	-69	135.7	173.9	-176.9	0	0	0	0	110	E187 D188 R191	S185-E187 PolarHBondContact O-N 3.47Å; S185-E187 PolarHBondContact OG-N 3.21Å; S185-D188 WeakPolarHBondContact CB-O 3.23Å; S185-R191 WeakPolarHBondContact CB-O 3.49Å; S185-R191 PolarHBondContact N-O 2.77Å
186	P	65.3	Low	73.1	Confident	124 Å²	124	68.4 Å²	68.4	81%	0.805	34%	0.34	S	S	*	.	S	Bend	trans	-69	-18.4	176	26.3	-31.9	0	0	0	113.2
187	E	70.3	Confident	71.9	Confident	186 Å²	186	71 Å²	71	87%	0.869	36%	0.357	S	S	*	.	S	Bend	trans	-95.7	-24.5	-176.6	-62.7	169.9	177.3	0	0	113.3	S185	S185-E187 PolarHBondContact O-N 3.47Å; S185-E187 PolarHBondContact OG-N 3.21Å
188	D	77.4	Confident	70.3	Confident	67 Å²	67	69.9 Å²	69.9	36%	0.358	36%	0.358	S	S	.	.			trans	-150.1	108.3	-177	178.9	0.5	0	0	0	110	S185 T190 R191	S185-D188 WeakPolarHBondContact CB-O 3.23Å; D188-T190 PolarHBondContact O-N 2.75Å; D188-T190 VanDerWaalsContact O-N 3.1Å; D188-T190 WeakPolarHBondContact OD1-CB 3.25Å; D188-T190 PolarHBondContact OD1-N 2.73Å; D188-T190 PolarHBondContact OD1-OG1 3.44Å; D188-T190 PolarHBondContact OD2-OG1 3.34Å; D188-T190 VanDerWaalsContact OD2-OG1 3.12Å; D188-R191 HydrophobicContact CB-CB 4.13Å; D188-R191 PolarHBondContact O-N 2.74Å
189	E	71	Confident	68.8	Low	164 Å²	164	69.9 Å²	69.9	77%	0.766	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.3	-178.1	-64.2	-165.1	163.4	0	0	113.7	R191	E189-R191 VanDerWaalsContact C-N 3.29Å
190	T	77.1	Confident	67	Low	55 Å²	55	70.1 Å²	70.1	34%	0.337	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-7.4	176.9	72.9	0	0	0	0	112.5	T139 V140 D188	T139-T190 CarbonylContact C-O 3.4Å; T139-T190 WeakPolarHBondContact CA-O 3.4Å; V140-T190 PolarHBondContact N-O 3Å; V140-T190 WeakPolarHBondContact O-CB 3.45Å; D188-T190 PolarHBondContact O-N 2.75Å; D188-T190 VanDerWaalsContact O-N 3.1Å; D188-T190 WeakPolarHBondContact OD1-CB 3.25Å; D188-T190 PolarHBondContact OD1-N 2.73Å; D188-T190 PolarHBondContact OD1-OG1 3.44Å; D188-T190 PolarHBondContact OD2-OG1 3.34Å; D188-T190 VanDerWaalsContact OD2-OG1 3.12Å
191	R	81.8	Confident	65.1	Low	62 Å²	62	73.9 Å²	73.9	23%	0.234	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.1	-175.8	-169.6	177.1	178.7	126.4	4.7	111.7	S137 S185 D188 E189	S137-R191 VanDerWaalsContact OG-CZ 3.25Å; S137-R191 PolarHBondContact OG-NE 3.22Å; S137-R191 PolarHBondContact OG-NH2 3.37Å; S185-R191 WeakPolarHBondContact CB-O 3.49Å; S185-R191 PolarHBondContact N-O 2.77Å; D188-R191 HydrophobicContact CB-CB 4.13Å; D188-R191 PolarHBondContact O-N 2.74Å; E189-R191 VanDerWaalsContact C-N 3.29Å
192	L	81.6	Confident	63.4	Low	14 Å²	14	72.4 Å²	72.4	7%	0.073	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.6	174.6	-58.5	176.3	0	0	0	109.8	S137 I138 V140 L173 L182 T183 K184	S137-L192 CarbonylContact C-O 3.42Å; S137-L192 WeakPolarHBondContact CA-O 3.32Å; S137-L192 VanDerWaalsContact CB-O 3.23Å; S137-L192 WeakPolarHBondContact CB-O 3.39Å; I138-L192 HydrophobicContact CB-CB 4.42Å; I138-L192 PolarHBondContact N-O 3.36Å; I138-L192 WeakPolarHBondContact O-CB 3.31Å; I138-L192 PolarHBondContact O-N 2.95Å; V140-L192 HydrophobicContact CG2-CD1 3.85Å; V140-L192 HydrophobicContact CG2-CG 4.26Å; L173-L192 HydrophobicContact CD1-CD1 4.43Å; L173-L192 HydrophobicContact CD2-CD1 4.36Å; L182-L192 HydrophobicContact CD1-CD1 4.43Å; T183-L192 CarbonylContact O-C 3.55Å; T183-L192 VanDerWaalsContact O-CA 3.31Å; T183-L192 WeakPolarHBondContact O-CA 3.44Å; K184-L192 HydrophobicContact CG-CD2 3.82Å
193	L	78.1	Confident	61.3	Low	70 Å²	70	77.8 Å²	77.8	37%	0.366	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	136.1	172.1	-60.6	175.2	0	0	0	109.8	L182 T183	L182-L193 WeakPolarHBondContact CA-O 3.28Å; T183-L193 PolarHBondContact N-O 3.32Å; T183-L193 PolarHBondContact O-N 3.08Å
194	V	75.9	Confident	59.3	Low	13 Å²	13	78 Å²	78	8%	0.079	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.6	-177.7	-175.1	0	0	0	0	109.2	L135 K136 I138 A180 L182	L135-V194 HydrophobicContact CB-CB 4.12Å; L135-V194 HydrophobicContact CB-CG1 3.87Å; L135-V194 HydrophobicContact CB-CG2 4.14Å; K136-V194 PolarHBondContact O-N 3.35Å; I138-V194 HydrophobicContact CD1-CG2 4.02Å; I138-V194 HydrophobicContact CG1-CG2 3.72Å; A180-V194 HydrophobicContact CB-CG1 3.69Å; L182-V194 HydrophobicContact CD2-CB 4.17Å; L182-V194 HydrophobicContact CD2-CG1 4.11Å; L182-V194 HydrophobicContact CD2-CG2 3.6Å
195	S	69.8	Low	57.3	Low	35 Å²	35	74 Å²	74	25%	0.245	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.3	173.1	164.9	0	0	0	0	110.1	L181	L181-S195 PolarHBondContact N-O 2.86Å; L181-S195 PolarHBondContact O-N 2.86Å
196	T	58.8	Low	55.3	Low	29 Å²	29	78.6 Å²	78.6	18%	0.178	42%	0.422	C	S	.	.			trans	-98.4	137.7	174.4	44.4	0	0	0	0	110.7	I132 A180 N198	I132-T196 HydrophobicContact CG2-CG2 3.72Å; I132-T196 WeakPolarHBondContact O-CG2 3.43Å; A180-T196 HydrophobicContact CB-CG2 4.03Å; T196-N198 PolarHBondContact O-N 2.84Å
197	P	49.4	Very low	53.8	Low	55 Å²	55	78.1 Å²	78.1	36%	0.357	41%	0.412	S	S	.	.			trans	-65.8	130	173.9	22.6	-26.5	0	0	0	110.8	K199	P197-K199 PolarHBondContact O-N 2.85Å
198	N	41.3	Very low	52.1	Low	75 Å²	75	72.7 Å²	72.7	40%	0.401	39%	0.389	S	S	.	.			trans	-74	110	-179.1	-167.8	-31.4	0	0	0	110.7	T196 A200 L201 S202 E247	T196-N198 PolarHBondContact O-N 2.84Å; N198-A200 VanDerWaalsContact C-N 3.27Å; N198-A200 PolarHBondContact O-N 3.33Å; N198-A200 PolarHBondContact OD1-N 3.02Å; N198-L201 HydrophobicContact CB-CB 4.35Å; N198-L201 PolarHBondContact O-N 3.27Å; N198-S202 PolarHBondContact O-N 2.9Å; N198-S202 PolarHBondContact O-OG 3.49Å; N198-S202 VanDerWaalsContact O-OG 3.09Å; N198-E247 PolarHBondContact ND2-OE1 2.93Å
199	K	38.3	Very low	50.2	Low	127 Å²	127	75.4 Å²	75.4	55%	0.552	40%	0.403	S	S	*	.	H	α-helix	trans	-57.2	-32.1	-174.6	-88	-177.9	176.3	176.9	0	114.7	A42 P197 Q203	A42-K199 PolarHBondContact O-NZ 3.23Å; P197-K199 PolarHBondContact O-N 2.85Å; K199-Q203 WeakPolarHBondContact O-CB 3.45Å; K199-Q203 PolarHBondContact O-N 3.25Å
200	A	32.6	Very low	48.4	Very low	63 Å²	63	71.4 Å²	71.4	52%	0.521	39%	0.387	S	S	.	.	H	α-helix	trans	-75.5	-32.4	-178.1	0	0	0	0	0	112.5	N198 S204	N198-A200 VanDerWaalsContact C-N 3.27Å; N198-A200 PolarHBondContact O-N 3.33Å; N198-A200 PolarHBondContact OD1-N 3.02Å; A200-S204 PolarHBondContact O-N 2.9Å; A200-S204 PolarHBondContact O-OG 3.33Å
201	L	33.5	Very low	46.1	Very low	85 Å²	85	75.3 Å²	75.3	45%	0.445	41%	0.405	S	S	.	.	H	α-helix	trans	-81.8	-35.9	177.4	-134.6	136	0	0	0	110.7	N198 S204 F205	N198-L201 HydrophobicContact CB-CB 4.35Å; N198-L201 PolarHBondContact O-N 3.27Å; L201-S204 PolarHBondContact O-N 3.44Å; L201-F205 HydrophobicContact CD2-CD2 4.29Å; L201-F205 HydrophobicContact CD2-CE2 4.42Å; L201-F205 PolarHBondContact O-N 3.24Å
202	S	32	Very low	43.7	Very low	48 Å²	48	79.2 Å²	79.2	34%	0.336	43%	0.431	S	S	.	.	H	α-helix	trans	-61	-45.7	168.2	-58.1	0	0	0	0	111.6	N198 S204 F205 E206	N198-S202 PolarHBondContact O-N 2.9Å; N198-S202 PolarHBondContact O-OG 3.49Å; N198-S202 VanDerWaalsContact O-OG 3.09Å; S202-S204 VanDerWaalsContact C-N 3.31Å; S202-S204 PolarHBondContact O-N 2.99Å; S202-F205 PolarHBondContact O-N 3.3Å; S202-F205 VanDerWaalsContact O-N 3.16Å; S202-E206 WeakPolarHBondContact O-CB 3.35Å; S202-E206 WeakPolarHBondContact O-CG 3.4Å; S202-E206 PolarHBondContact O-N 3.01Å
203	Q	30.9	Very low	41.5	Very low	134 Å²	134	83.8 Å²	83.8	63%	0.626	46%	0.455	S	S	*	.	H	α-helix	trans	-60.8	-35.6	176.8	-93.3	179.5	-22.9	0	0	113.7	K199 F205 N207	K199-Q203 WeakPolarHBondContact O-CB 3.45Å; K199-Q203 PolarHBondContact O-N 3.25Å; Q203-F205 VanDerWaalsContact C-N 3.31Å; Q203-F205 PolarHBondContact O-N 3.16Å; Q203-N207 WeakPolarHBondContact O-CB 3.25Å; Q203-N207 PolarHBondContact O-N 2.85Å; Q203-N207 VanDerWaalsContact O-N 3.14Å; Q203-N207 PolarHBondContact O-ND2 3.25Å; Q203-N207 PolarHBondContact O-OD1 2.99Å
204	S	31.1	Very low	39.2	Very low	77 Å²	77	90.7 Å²	90.7	54%	0.538	48%	0.483	S	S	.	.	H	α-helix	trans	-72.1	-25.3	178.4	-60.5	0	0	0	0	113.2	A200 L201 S202	A200-S204 PolarHBondContact O-N 2.9Å; A200-S204 PolarHBondContact O-OG 3.33Å; L201-S204 PolarHBondContact O-N 3.44Å; S202-S204 VanDerWaalsContact C-N 3.31Å; S202-S204 PolarHBondContact O-N 2.99Å
205	F	33.2	Very low	37.3	Very low	60 Å²	60	91.5 Å²	91.5	26%	0.263	49%	0.494	S	S	.	.	H	α-helix	trans	-97.6	-28.2	178.7	-91.8	-81.9	0	0	0	114.2	L201 S202 Q203 N207 L208 L209 I239 L243	L201-F205 HydrophobicContact CD2-CD2 4.29Å; L201-F205 HydrophobicContact CD2-CE2 4.42Å; L201-F205 PolarHBondContact O-N 3.24Å; S202-F205 PolarHBondContact O-N 3.3Å; S202-F205 VanDerWaalsContact O-N 3.16Å; Q203-F205 VanDerWaalsContact C-N 3.31Å; Q203-F205 PolarHBondContact O-N 3.16Å; F205-N207 VanDerWaalsContact C-N 3.3Å; F205-L208 HydrophobicContact CD1-CB 4.3Å; F205-L208 HydrophobicContact CD1-CD1 3.99Å; F205-L208 HydrophobicContact CE1-CD1 3.86Å; F205-L208 HydrophobicContact CZ-CD1 4.45Å; F205-L208 WeakPolarHBondContact O-CA 3.39Å; F205-L208 WeakPolarHBondContact O-CB 3.17Å; F205-L208 PolarHBondContact O-N 3.4Å; F205-L209 PolarHBondContact O-N 3.37Å; F205-I239 HydrophobicContact CE1-CG2 4.49Å; F205-L243 HydrophobicContact CD1-CD1 3.5Å; F205-L243 VanDerWaalsContact CD1-CD1 3.5Å; F205-L243 HydrophobicContact CD2-CD1 3.97Å; F205-L243 HydrophobicContact CE1-CD1 3.13Å; F205-L243 HydrophobicContact CE1-CD2 4.32Å; F205-L243 HydrophobicContact CE1-CG 4.36Å; F205-L243 HydrophobicContact CE2-CD1 3.64Å; F205-L243 HydrophobicContact CE2-CD2 3.72Å; F205-L243 HydrophobicContact CE2-CG 4.28Å; F205-L243 HydrophobicContact CG-CD1 3.91Å; F205-L243 HydrophobicContact CZ-CD1 3.21Å; F205-L243 HydrophobicContact CZ-CD2 3.54Å; F205-L243 HydrophobicContact CZ-CG 4.03Å
206	E	31.8	Very low	35.7	Very low	108 Å²	108	95.2 Å²	95.2	51%	0.505	51%	0.51	S	S	.	.	H	α-helix	trans	-59.1	-46.4	164	-68.7	-75.3	152.4	0	0	108.4	S202 L208 L209 D210	S202-E206 WeakPolarHBondContact O-CB 3.35Å; S202-E206 WeakPolarHBondContact O-CG 3.4Å; S202-E206 PolarHBondContact O-N 3.01Å; E206-L208 PolarHBondContact O-N 3.46Å; E206-L209 CarbonylContact O-C 3.56Å; E206-L209 WeakPolarHBondContact O-CA 3.44Å; E206-L209 PolarHBondContact O-N 3.5Å; E206-D210 VanDerWaalsContact C-CG 3.5Å; E206-D210 WeakPolarHBondContact O-CA 3.39Å; E206-D210 PolarHBondContact O-N 2.98Å
207	N	34.9	Very low	34.6	Very low	114 Å²	114	99.6 Å²	99.6	61%	0.61	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.8	171.5	-67.2	-15.3	0	0	0	115	Q203 F205 D210	Q203-N207 WeakPolarHBondContact O-CB 3.25Å; Q203-N207 PolarHBondContact O-N 2.85Å; Q203-N207 VanDerWaalsContact O-N 3.14Å; Q203-N207 PolarHBondContact O-ND2 3.25Å; Q203-N207 PolarHBondContact O-OD1 2.99Å; F205-N207 VanDerWaalsContact C-N 3.3Å; N207-D210 VanDerWaalsContact CA-OD2 3.29Å; N207-D210 WeakPolarHBondContact CA-OD2 3.39Å; N207-D210 PolarHBondContact OD1-OD2 2.9Å
208	L	34.6	Very low	33.7	Very low	71 Å²	71	102.5 Å²	102.5	37%	0.372	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.2	176.7	-139.7	138.8	0	0	0	111.6	F205 E206 N573	F205-L208 HydrophobicContact CD1-CB 4.3Å; F205-L208 HydrophobicContact CD1-CD1 3.99Å; F205-L208 HydrophobicContact CE1-CD1 3.86Å; F205-L208 HydrophobicContact CZ-CD1 4.45Å; F205-L208 WeakPolarHBondContact O-CA 3.39Å; F205-L208 WeakPolarHBondContact O-CB 3.17Å; F205-L208 PolarHBondContact O-N 3.4Å; E206-L208 PolarHBondContact O-N 3.46Å; L208-N573 HydrophobicContact CD1-CB 4.49Å
209	L	36.5	Very low	33.3	Very low	125 Å²	125	107.3 Å²	107.3	65%	0.654	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.6	-3.1	-175.5	-65.9	176.2	0	0	0	115.4	F205 E206	F205-L209 PolarHBondContact O-N 3.37Å; E206-L209 CarbonylContact O-C 3.56Å; E206-L209 WeakPolarHBondContact O-CA 3.44Å; E206-L209 PolarHBondContact O-N 3.5Å
210	D	33.3	Very low	33	Very low	80 Å²	80	106.4 Å²	106.4	43%	0.428	55%	0.554	S	S	.	*			trans	-46.5	140	-166.6	-86.5	-17.8	0	0	0	115.3	E206 N207	E206-D210 VanDerWaalsContact C-CG 3.5Å; E206-D210 WeakPolarHBondContact O-CA 3.39Å; E206-D210 PolarHBondContact O-N 2.98Å; N207-D210 VanDerWaalsContact CA-OD2 3.29Å; N207-D210 WeakPolarHBondContact CA-OD2 3.39Å; N207-D210 PolarHBondContact OD1-OD2 2.9Å
211	D	28.2	Very low	33.1	Very low	136 Å²	136	108.5 Å²	108.5	73%	0.727	55%	0.551	S	S	*	*	S	Bend	cis	-141.6	149.6	34.4	-97.4	-50.2	0	0	0	113.4
212	N	32.3	Very low	33	Very low	145 Å²	145	114.7 Å²	114.7	78%	0.775	57%	0.568	S	S	*	*			trans	67	87.4	160.6	-69.5	-44.6	0	0	0	119.3
213	N	35.9	Very low	32.9	Very low	109 Å²	109	116.4 Å²	116.4	58%	0.583	57%	0.574	S	S	*	*			trans	-148.4	73.8	160.4	-131.8	-9.2	0	0	0	116	G215 L216	N213-G215 PolarHBondContact O-N 3.36Å; N213-L216 HydrophobicContact CB-CD1 4.13Å; N213-L216 VanDerWaalsContact ND2-CD1 3.28Å; N213-L216 WeakPolarHBondContact ND2-CD1 3.3Å
214	F	29.6	Very low	32.8	Very low	216 Å²	216	114.3 Å²	114.3	95%	0.947	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	10.1	164	-116.5	-89	0	0	0	114.5
215	G	34.7	Very low	32.7	Very low	30 Å²	30	120.1 Å²	120.1	31%	0.309	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.2	-10.5	-168.8	0	0	0	0	0	117.1	N213	N213-G215 PolarHBondContact O-N 3.36Å
216	L	37.8	Very low	32.7	Very low	113 Å²	113	122 Å²	122	59%	0.592	60%	0.599	S	S	*	*	H	α-helix	trans	-70.8	-43.3	-173.8	-104.6	156.4	0	0	0	112.6	N213 H218 K219 F220	N213-L216 HydrophobicContact CB-CD1 4.13Å; N213-L216 VanDerWaalsContact ND2-CD1 3.28Å; N213-L216 WeakPolarHBondContact ND2-CD1 3.3Å; L216-H218 VanDerWaalsContact C-N 3.31Å; L216-H218 PolarHBondContact O-N 2.71Å; L216-K219 PolarHBondContact O-N 3.08Å; L216-F220 PolarHBondContact O-N 3.41Å
217	I	34.6	Very low	32.7	Very low	121 Å²	121	118 Å²	118	62%	0.621	59%	0.586	S	S	*	*	H	α-helix	trans	-66.3	-34.5	-177.7	-57.2	175.4	0	0	0	111.2	K221	I217-K221 PolarHBondContact O-N 3.06Å
218	H	30.7	Very low	32.5	Very low	115 Å²	115	117.3 Å²	117.3	53%	0.532	59%	0.585	S	S	.	*	H	α-helix	trans	-74.7	-30.9	-178	-168.6	-86.4	0	0	0	113.3	L216	L216-H218 VanDerWaalsContact C-N 3.31Å; L216-H218 PolarHBondContact O-N 2.71Å
219	K	32.6	Very low	32.4	Very low	176 Å²	176	117.6 Å²	117.6	77%	0.765	59%	0.587	S	S	*	*	H	α-helix	trans	-79.7	-33.1	176	-76.9	-175.6	177.7	178.6	0	112.5	L216 K221 R222	L216-K219 PolarHBondContact O-N 3.08Å; K219-K221 VanDerWaalsContact C-N 3.29Å; K219-K221 PolarHBondContact O-N 3.44Å; K219-R222 PolarHBondContact O-N 2.9Å
220	F	33.4	Very low	32.2	Very low	109 Å²	109	112 Å²	112	48%	0.478	56%	0.559	S	S	.	*	H	α-helix	trans	-63.4	-35	177	-158.4	-93.1	0	0	0	112.5	L216 R222 A227	L216-F220 PolarHBondContact O-N 3.41Å; F220-R222 VanDerWaalsContact C-N 3.27Å; F220-R222 PolarHBondContact O-N 3.14Å; F220-A227 HydrophobicContact CD2-CB 3.58Å; F220-A227 HydrophobicContact CE2-CB 3.49Å; F220-A227 VanDerWaalsContact CE2-CB 3.49Å; F220-A227 HydrophobicContact CG-CB 4.46Å; F220-A227 HydrophobicContact CZ-CB 4.31Å
221	K	34.1	Very low	32.2	Very low	106 Å²	106	109.6 Å²	109.6	46%	0.461	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.8	-19.7	179.8	-167.5	172.3	-178.6	175.3	0	114.2	D174 I217 K219	D174-K221 PolarHBondContact O-NZ 3.12Å; I217-K221 PolarHBondContact O-N 3.06Å; K219-K221 VanDerWaalsContact C-N 3.29Å; K219-K221 PolarHBondContact O-N 3.44Å
222	R	30	Very low	32.4	Very low	216 Å²	216	104.7 Å²	104.7	82%	0.815	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-23.8	-168.4	-150	178.4	-179.4	174.9	0.8	114	K219 F220	K219-R222 PolarHBondContact O-N 2.9Å; F220-R222 VanDerWaalsContact C-N 3.27Å; F220-R222 PolarHBondContact O-N 3.14Å
223	D	31	Very low	32.8	Very low	83 Å²	83	98.9 Å²	98.9	44%	0.444	50%	0.497	S	S	.	.			trans	-152.4	89.1	-180	-154.2	-21.4	0	0	0	112.1	Y225 V226	D223-Y225 PolarHBondContact O-N 3.21Å; D223-V226 HydrophobicContact CB-CB 4.49Å; D223-V226 HydrophobicContact CB-CG2 4.33Å; D223-V226 PolarHBondContact O-N 3.4Å
224	P	29.3	Very low	32.7	Very low	91 Å²	91	99.7 Å²	99.7	59%	0.591	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.9	-175.3	-20	30.7	0	0	0	113.8	T228	P224-T228 PolarHBondContact O-OG1 2.89Å; P224-T228 VanDerWaalsContact O-OG1 3.12Å
225	Y	27.8	Very low	33	Very low	198 Å²	198	90.7 Å²	90.7	78%	0.776	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-23.7	-174.9	-110.2	-92.7	0	0	0	113.5	D223	D223-Y225 PolarHBondContact O-N 3.21Å
226	V	32.8	Very low	33.1	Very low	99 Å²	99	92.4 Å²	92.4	60%	0.6	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-24.9	-179.5	-180	0	0	0	0	111.4	D223	D223-V226 HydrophobicContact CB-CB 4.49Å; D223-V226 HydrophobicContact CB-CG2 4.33Å; D223-V226 PolarHBondContact O-N 3.4Å
227	A	32	Very low	32.9	Very low	26 Å²	26	90 Å²	90	22%	0.215	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.3	-178	0	0	0	0	0	114.5	F220 L229 S233	F220-A227 HydrophobicContact CD2-CB 3.58Å; F220-A227 HydrophobicContact CE2-CB 3.49Å; F220-A227 VanDerWaalsContact CE2-CB 3.49Å; F220-A227 HydrophobicContact CG-CB 4.46Å; F220-A227 HydrophobicContact CZ-CB 4.31Å; A227-L229 VanDerWaalsContact C-N 3.31Å; A227-L229 PolarHBondContact O-N 3.33Å; A227-S233 PolarHBondContact O-OG 3.3Å
228	T	31	Very low	33	Very low	98 Å²	98	85.2 Å²	85.2	60%	0.601	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.5	178.5	-28.3	0	0	0	0	113.2	P224	P224-T228 PolarHBondContact O-OG1 2.89Å; P224-T228 VanDerWaalsContact O-OG1 3.12Å
229	L	33.4	Very low	33.2	Very low	77 Å²	77	84 Å²	84	40%	0.403	42%	0.421	S	S	.	.	S	Bend	trans	-104.4	-7.7	-170.1	-76.1	163.6	0	0	0	115.2	A227 G231 D387	A227-L229 VanDerWaalsContact C-N 3.31Å; A227-L229 PolarHBondContact O-N 3.33Å; L229-G231 PolarHBondContact O-N 2.94Å; L229-D387 VanDerWaalsContact CD2-OD2 3.31Å; L229-D387 WeakPolarHBondContact CD2-OD2 3.37Å; L229-D387 VanDerWaalsContact O-CB 3.32Å; L229-D387 WeakPolarHBondContact O-CB 3.48Å
230	G	31.8	Very low	33.3	Very low	7 Å²	7	81 Å²	81	7%	0.072	41%	0.406	C	S	.	.	S	Bend	trans	-91.2	80.2	173.1	0	0	0	0	0	110.1	F232 S233	G230-F232 VanDerWaalsContact C-N 3.33Å; G230-F232 PolarHBondContact O-N 3.49Å; G230-S233 PolarHBondContact O-N 3.44Å
231	G	32.8	Very low	33.2	Very low	31 Å²	31	80.7 Å²	80.7	32%	0.32	41%	0.409	S	S	.	.	S	Bend	trans	-59.9	68.8	-170.1	0	0	0	0	0	118.7	L229 L391	L229-G231 PolarHBondContact O-N 2.94Å; G231-L391 VanDerWaalsContact C-CD1 3.45Å; G231-L391 VanDerWaalsContact CA-CD1 3.45Å; G231-L391 VanDerWaalsContact N-CD2 3.32Å; G231-L391 WeakPolarHBondContact O-CD1 3.45Å; G231-L391 WeakPolarHBondContact O-CD2 3.5Å
232	F	33.7	Very low	33.2	Very low	32 Å²	32	78 Å²	78	14%	0.14	41%	0.407	C	S	.	.	S	Bend		-118.9	25.7	119.8	-98.9	-96.2	0	0	0	110.5	G230 K234 V235 T236 L391 V434 Q435	G230-F232 VanDerWaalsContact C-N 3.33Å; G230-F232 PolarHBondContact O-N 3.49Å; F232-K234 PolarHBondContact O-N 2.98Å; F232-K234 VanDerWaalsContact O-N 3.12Å; F232-V235 HydrophobicContact CD1-CB 3.93Å; F232-V235 HydrophobicContact CD1-CG2 4.44Å; F232-V235 HydrophobicContact CE1-CB 4.1Å; F232-V235 HydrophobicContact CE1-CG2 4.21Å; F232-V235 PolarHBondContact O-N 3.02Å; F232-T236 WeakPolarHBondContact CB-OG1 3.38Å; F232-T236 WeakPolarHBondContact O-CB 3.42Å; F232-T236 PolarHBondContact O-N 3.41Å; F232-T236 PolarHBondContact O-OG1 2.97Å; F232-T236 VanDerWaalsContact O-OG1 3.05Å; F232-L391 HydrophobicContact CD2-CD2 4.22Å; F232-V434 HydrophobicContact CE2-CG1 4.21Å; F232-V434 HydrophobicContact CZ-CG1 3.88Å; F232-Q435 HydrophobicContact CB-CG 4.31Å; F232-Q435 HydrophobicContact CD1-CB 3.84Å; F232-Q435 HydrophobicContact CD1-CG 3.83Å; F232-Q435 VanDerWaalsContact CD1-NE2 3.29Å; F232-Q435 HydrophobicContact CD2-CB 3.23Å; F232-Q435 HydrophobicContact CD2-CG 2.99Å; F232-Q435 VanDerWaalsContact CD2-OE1 3.26Å; F232-Q435 HydrophobicContact CE1-CB 3.48Å; F232-Q435 VanDerWaalsContact CE1-CB 3.48Å; F232-Q435 HydrophobicContact CE1-CG 4.02Å; F232-Q435 HydrophobicContact CE2-CB 3.01Å; F232-Q435 HydrophobicContact CE2-CG 3.43Å; F232-Q435 VanDerWaalsContact CE2-CG 3.43Å; F232-Q435 HydrophobicContact CG-CB 3.77Å; F232-Q435 HydrophobicContact CG-CG 3.39Å; F232-Q435 HydrophobicContact CZ-CB 3.13Å; F232-Q435 HydrophobicContact CZ-CG 3.91Å; F232-Q435 VanDerWaalsContact CZ-N 3.25Å
233	S	39.5	Very low	33.4	Very low	24 Å²	24	70.4 Å²	70.4	17%	0.168	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.1	178.5	-159.6	0	0	0	0	113	A227 G230 N237	A227-S233 PolarHBondContact O-OG 3.3Å; G230-S233 PolarHBondContact O-N 3.44Å; S233-N237 PolarHBondContact O-ND2 2.81Å
234	K	34.3	Very low	33.5	Very low	125 Å²	125	70.1 Å²	70.1	54%	0.543	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-48.2	174.2	-62.4	-170.3	-179.5	175.3	0	113.5	F232 Y238 P266	F232-K234 PolarHBondContact O-N 2.98Å; F232-K234 VanDerWaalsContact O-N 3.12Å; K234-Y238 WeakPolarHBondContact O-CB 3.38Å; K234-P266 HydrophobicContact CD-CG 3.72Å
235	V	35.9	Very low	33.6	Very low	28 Å²	28	68.7 Å²	68.7	17%	0.17	38%	0.377	C	S	.	.	H	α-helix	trans	-87.4	-25.3	-174.7	-173	0	0	0	0	113.9	F232 Y238 I239 I265	F232-V235 HydrophobicContact CD1-CB 3.93Å; F232-V235 HydrophobicContact CD1-CG2 4.44Å; F232-V235 HydrophobicContact CE1-CB 4.1Å; F232-V235 HydrophobicContact CE1-CG2 4.21Å; F232-V235 PolarHBondContact O-N 3.02Å; V235-Y238 WeakPolarHBondContact O-CB 3.16Å; V235-Y238 PolarHBondContact O-N 3.3Å; V235-I239 HydrophobicContact CG1-CD1 4.34Å; V235-I239 PolarHBondContact O-N 3.05Å; V235-I265 HydrophobicContact CG2-CG1 4.25Å
236	T	36.9	Very low	33.7	Very low	66 Å²	66	63.8 Å²	63.8	41%	0.405	37%	0.367	S	S	.	.	H	α-helix	trans	-81.1	-37.3	-179.5	-47.8	0	0	0	0	112.3	F232 Y238 Y240	F232-T236 WeakPolarHBondContact CB-OG1 3.38Å; F232-T236 WeakPolarHBondContact O-CB 3.42Å; F232-T236 PolarHBondContact O-N 3.41Å; F232-T236 PolarHBondContact O-OG1 2.97Å; F232-T236 VanDerWaalsContact O-OG1 3.05Å; T236-Y238 PolarHBondContact O-N 2.89Å; T236-Y240 WeakPolarHBondContact O-CB 3.25Å; T236-Y240 PolarHBondContact O-N 2.89Å
237	N	32.3	Very low	33.6	Very low	63 Å²	63	65.1 Å²	65.1	34%	0.337	37%	0.367	S	S	.	.	H	α-helix	trans	-61.5	-30.8	167.8	-74.3	-25.2	0	0	0	110.6	S233 D241	S233-N237 PolarHBondContact O-ND2 2.81Å; N237-D241 VanDerWaalsContact O-CB 3.27Å; N237-D241 WeakPolarHBondContact O-CB 3.2Å; N237-D241 PolarHBondContact O-N 2.9Å
238	Y	36.6	Very low	33.4	Very low	19 Å²	19	71 Å²	71	8%	0.075	39%	0.39	C	S	.	.	H	α-helix	trans	-77.7	-46	-174.9	179.9	-109.9	0	0	0	115.2	K234 V235 T236 Y240 D241 A242 L260 L261 V264	K234-Y238 WeakPolarHBondContact O-CB 3.38Å; V235-Y238 WeakPolarHBondContact O-CB 3.16Å; V235-Y238 PolarHBondContact O-N 3.3Å; T236-Y238 PolarHBondContact O-N 2.89Å; Y238-Y240 PolarHBondContact O-N 2.84Å; Y238-D241 PolarHBondContact O-N 2.59Å; Y238-A242 WeakPolarHBondContact O-CB 3.47Å; Y238-A242 PolarHBondContact O-N 2.84Å; Y238-L260 HydrophobicContact CE2-CB 4.12Å; Y238-L260 WeakPolarHBondContact CE2-O 3.49Å; Y238-L261 HydrophobicContact CD1-CD2 4.46Å; Y238-L261 HydrophobicContact CE1-CD2 3.23Å; Y238-L261 HydrophobicContact CE1-CG 4.16Å; Y238-L261 VanDerWaalsContact CZ-CD2 3.49Å; Y238-L261 VanDerWaalsContact OH-CA 3.24Å; Y238-L261 WeakPolarHBondContact OH-CA 3.22Å; Y238-L261 WeakPolarHBondContact OH-CD2 3.29Å; Y238-L261 WeakPolarHBondContact OH-CG 3.5Å; Y238-L261 PolarHBondContact OH-N 2.88Å; Y238-L261 VanDerWaalsContact OH-N 3.09Å; Y238-V264 VanDerWaalsContact CB-CG1 3.41Å; Y238-V264 HydrophobicContact CD1-CG1 4.43Å; Y238-V264 HydrophobicContact CD2-CB 3.18Å; Y238-V264 HydrophobicContact CD2-CG1 3.1Å; Y238-V264 HydrophobicContact CD2-CG2 3.49Å; Y238-V264 VanDerWaalsContact CD2-CG2 3.49Å; Y238-V264 HydrophobicContact CE2-CB 3.47Å; Y238-V264 VanDerWaalsContact CE2-CB 3.47Å; Y238-V264 HydrophobicContact CE2-CG1 3.95Å; Y238-V264 HydrophobicContact CE2-CG2 3.58Å; Y238-V264 HydrophobicContact CG-CB 3.74Å; Y238-V264 HydrophobicContact CG-CG1 3.36Å; Y238-V264 HydrophobicContact CG-CG2 4.49Å
239	I	35.1	Very low	33.4	Very low	90 Å²	90	76.2 Å²	76.2	46%	0.462	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-38.9	170.8	-65.4	173.9	0	0	0	108.7	F205 V235 L243	F205-I239 HydrophobicContact CE1-CG2 4.49Å; V235-I239 HydrophobicContact CG1-CD1 4.34Å; V235-I239 PolarHBondContact O-N 3.05Å; I239-L243 HydrophobicContact CG2-CD1 3.68Å; I239-L243 WeakPolarHBondContact O-CB 3.18Å; I239-L243 WeakPolarHBondContact O-CD1 3.42Å; I239-L243 WeakPolarHBondContact O-CG 3.39Å; I239-L243 PolarHBondContact O-N 3.13Å
240	Y	34.7	Very low	33.2	Very low	114 Å²	114	80.6 Å²	80.6	45%	0.447	43%	0.426	S	S	.	.	H	α-helix	trans	-67.9	-38.9	178.9	-168.4	-94.7	0	0	0	114.1	T236 Y238 R244	T236-Y240 WeakPolarHBondContact O-CB 3.25Å; T236-Y240 PolarHBondContact O-N 2.89Å; Y238-Y240 PolarHBondContact O-N 2.84Å; Y240-R244 PolarHBondContact O-N 2.91Å
241	D	32.3	Very low	33.2	Very low	101 Å²	101	89.5 Å²	89.5	54%	0.54	47%	0.466	S	S	.	.	H	α-helix	trans	-84.9	-32.2	179.9	-80.8	-19.4	0	0	0	113.6	N237 Y238 L243 R244	N237-D241 VanDerWaalsContact O-CB 3.27Å; N237-D241 WeakPolarHBondContact O-CB 3.2Å; N237-D241 PolarHBondContact O-N 2.9Å; Y238-D241 PolarHBondContact O-N 2.59Å; D241-L243 PolarHBondContact O-N 3.13Å; D241-R244 PolarHBondContact O-N 3.37Å
242	A	33.1	Very low	33.3	Very low	50 Å²	50	94.1 Å²	94.1	41%	0.413	47%	0.474	S	S	.	.	H	α-helix	trans	-63.8	-20.5	171.2	0	0	0	0	0	112.6	Y238	Y238-A242 WeakPolarHBondContact O-CB 3.47Å; Y238-A242 PolarHBondContact O-N 2.84Å
243	L	35.6	Very low	33.4	Very low	56 Å²	56	95.4 Å²	95.4	29%	0.293	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-6.2	-178.5	-65.7	169.6	0	0	0	113.9	F205 I239 D241 G245	F205-L243 HydrophobicContact CD1-CD1 3.5Å; F205-L243 VanDerWaalsContact CD1-CD1 3.5Å; F205-L243 HydrophobicContact CD2-CD1 3.97Å; F205-L243 HydrophobicContact CE1-CD1 3.13Å; F205-L243 HydrophobicContact CE1-CD2 4.32Å; F205-L243 HydrophobicContact CE1-CG 4.36Å; F205-L243 HydrophobicContact CE2-CD1 3.64Å; F205-L243 HydrophobicContact CE2-CD2 3.72Å; F205-L243 HydrophobicContact CE2-CG 4.28Å; F205-L243 HydrophobicContact CG-CD1 3.91Å; F205-L243 HydrophobicContact CZ-CD1 3.21Å; F205-L243 HydrophobicContact CZ-CD2 3.54Å; F205-L243 HydrophobicContact CZ-CG 4.03Å; I239-L243 HydrophobicContact CG2-CD1 3.68Å; I239-L243 WeakPolarHBondContact O-CB 3.18Å; I239-L243 WeakPolarHBondContact O-CD1 3.42Å; I239-L243 WeakPolarHBondContact O-CG 3.39Å; I239-L243 PolarHBondContact O-N 3.13Å; D241-L243 PolarHBondContact O-N 3.13Å; L243-G245 VanDerWaalsContact C-N 3.3Å; L243-G245 PolarHBondContact O-N 3.47Å
244	R	33.3	Very low	33.4	Very low	77 Å²	77	96.6 Å²	96.6	29%	0.291	49%	0.492	S	S	.	.			trans	-86.4	77.6	165.3	-86.8	-173.8	137.2	155.9	-2.5	109.2	Y240 D241 T246	Y240-R244 PolarHBondContact O-N 2.91Å; D241-R244 PolarHBondContact O-N 3.37Å; R244-T246 PolarHBondContact O-N 2.75Å
245	G	31	Very low	33.6	Very low	62 Å²	62	96.9 Å²	96.9	64%	0.639	50%	0.495	S	S	*	.			trans	-51.5	115.2	153.5	0	0	0	0	0	108.6	L243 E247	L243-G245 VanDerWaalsContact C-N 3.3Å; L243-G245 PolarHBondContact O-N 3.47Å; G245-E247 PolarHBondContact O-N 3.31Å; G245-E247 VanDerWaalsContact O-N 3.17Å
246	T	30.4	Very low	33.9	Very low	95 Å²	95	100 Å²	100	58%	0.583	51%	0.508	S	S	*	.			trans	-62.3	111.7	154.9	34.2	0	0	0	0	106.2	R244 E248	R244-T246 PolarHBondContact O-N 2.75Å; T246-E248 VanDerWaalsContact C-N 3.3Å; T246-E248 PolarHBondContact O-N 3.2Å
247	E	30.5	Very low	34.2	Very low	127 Å²	127	98.1 Å²	98.1	59%	0.593	50%	0.497	S	S	*	.	S	Bend	trans	-59.1	93.9	170.4	-72.7	-178.7	166.7	0	0	109.4	K153 N198 G245	K153-E247 IonicContact NZ-OE2 3.43Å; N198-E247 PolarHBondContact ND2-OE1 2.93Å; G245-E247 PolarHBondContact O-N 3.31Å; G245-E247 VanDerWaalsContact O-N 3.17Å
248	E	26.8	Very low	34.6	Very low	148 Å²	148	95.8 Å²	95.8	69%	0.692	49%	0.486	S	S	*	.	S	Bend	trans	-151.3	142.1	139.4	-102.2	170.8	-167	0	0	105.5	T246 Q250	T246-E248 VanDerWaalsContact C-N 3.3Å; T246-E248 PolarHBondContact O-N 3.2Å; E248-Q250 PolarHBondContact O-N 2.8Å
249	Q	30.4	Very low	34.8	Very low	209 Å²	209	100 Å²	100	98%	0.977	51%	0.51	S	S	*	.	S	Bend	trans	-66.1	69.5	-168	-68	165.1	-40.4	0	0	113.5
250	Q	29.1	Very low	35	Very low	169 Å²	169	98.4 Å²	98.4	79%	0.79	50%	0.502	S	S	*	.			trans	-130.2	105.1	165.8	-80.4	171.2	-31.2	0	0	107.2	E248 R252	E248-Q250 PolarHBondContact O-N 2.8Å; Q250-R252 PolarHBondContact O-N 3.25Å
251	Q	31.9	Very low	35.2	Very low	194 Å²	194	93.8 Å²	93.8	91%	0.907	49%	0.485	S	S	*	.			trans	-49.6	113.7	159.6	-79.3	166.8	-41.9	0	0	106.6
252	R	36	Very low	35.5	Very low	128 Å²	128	89.4 Å²	89.4	48%	0.483	46%	0.463	S	S	.	.			trans	-59.5	136.5	165.6	-78.3	-172.1	-168.6	162.9	5.3	107	Q250	Q250-R252 PolarHBondContact O-N 3.25Å
253	P	35.6	Very low	35.6	Very low	59 Å²	59	93.8 Å²	93.8	38%	0.383	48%	0.475	S	S	.	.			trans	-51.3	133	172.2	-19.2	29.6	0	0	0	107.9	E255 E256	P253-E255 PolarHBondContact O-N 3.32Å; P253-E256 PolarHBondContact O-N 3.34Å; P253-E256 VanDerWaalsContact O-N 3.1Å
254	P	38.5	Very low	35.5	Very low	49 Å²	49	93 Å²	93	32%	0.318	47%	0.473	S	S	.	.	H	α-helix	trans	-56.6	-17.4	178.6	-14.4	23.7	0	0	0	112.5	E256 V257 A258 E502	P254-E256 VanDerWaalsContact C-N 3.28Å; P254-E256 PolarHBondContact O-N 2.78Å; P254-V257 PolarHBondContact O-N 3.31Å; P254-A258 PolarHBondContact O-N 2.72Å; P254-A258 VanDerWaalsContact O-N 3.16Å; P254-E502 HydrophobicContact CB-CB 3.83Å; P254-E502 VanDerWaalsContact CB-CD 3.42Å; P254-E502 HydrophobicContact CB-CG 3.99Å; P254-E502 WeakPolarHBondContact CB-OE2 3.36Å; P254-E502 VanDerWaalsContact CD-OE1 3.32Å; P254-E502 WeakPolarHBondContact CD-OE1 3.05Å; P254-E502 HydrophobicContact CG-CG 4.41Å; P254-E502 WeakPolarHBondContact CG-OE1 3.22Å
255	E	39.9	Very low	35.9	Very low	130 Å²	130	89.8 Å²	89.8	61%	0.607	46%	0.461	S	S	*	.	H	α-helix	trans	-63.1	-40.2	-179.1	-66.9	-178.1	156.2	0	0	109.3	P253 V257 A258 D259 E502	P253-E255 PolarHBondContact O-N 3.32Å; E255-V257 VanDerWaalsContact C-N 3.31Å; E255-V257 PolarHBondContact O-N 3.36Å; E255-A258 PolarHBondContact O-N 2.84Å; E255-D259 WeakPolarHBondContact O-CB 3.47Å; E255-D259 PolarHBondContact O-N 3.28Å; E255-E502 WeakPolarHBondContact CA-OE2 3.21Å; E255-E502 WeakPolarHBondContact CG-OE2 3.27Å; E255-E502 PolarHBondContact N-OE2 3.4Å
256	E	40.8	Very low	36.3	Very low	94 Å²	94	89.6 Å²	89.6	44%	0.439	45%	0.449	S	S	.	.	H	α-helix	trans	-68.2	-29.2	178	-65.6	-177.9	179.9	0	0	112	P253 P254 L260	P253-E256 PolarHBondContact O-N 3.34Å; P253-E256 VanDerWaalsContact O-N 3.1Å; P254-E256 VanDerWaalsContact C-N 3.28Å; P254-E256 PolarHBondContact O-N 2.78Å; E256-L260 WeakPolarHBondContact O-CB 3.48Å; E256-L260 WeakPolarHBondContact O-CD1 3.47Å; E256-L260 WeakPolarHBondContact O-CG 3.21Å; E256-L260 PolarHBondContact O-N 3.39Å
257	V	43.2	Very low	37.1	Very low	27 Å²	27	85.5 Å²	85.5	16%	0.164	43%	0.426	C	S	.	.	H	α-helix	trans	-77	-37.4	179.5	-175.6	0	0	0	0	111	P254 E255 L261 F565	P254-V257 PolarHBondContact O-N 3.31Å; E255-V257 VanDerWaalsContact C-N 3.31Å; E255-V257 PolarHBondContact O-N 3.36Å; V257-L261 WeakPolarHBondContact O-CG 3.36Å; V257-L261 PolarHBondContact O-N 3.5Å; V257-F565 HydrophobicContact CG1-CD1 3.96Å; V257-F565 HydrophobicContact CG1-CE1 3.61Å; V257-F565 HydrophobicContact CG1-CZ 4.39Å
258	A	41	Very low	38.1	Very low	14 Å²	14	79.5 Å²	79.5	12%	0.116	40%	0.397	C	S	.	.	H	α-helix	trans	-70	-39.6	174.4	0	0	0	0	0	112.3	P254 E255 L261 G262	P254-A258 PolarHBondContact O-N 2.72Å; P254-A258 VanDerWaalsContact O-N 3.16Å; E255-A258 PolarHBondContact O-N 2.84Å; A258-L261 WeakPolarHBondContact O-CB 3.22Å; A258-L261 PolarHBondContact O-N 2.99Å; A258-G262 PolarHBondContact O-N 2.8Å
259	D	41.5	Very low	39.3	Very low	108 Å²	108	77.7 Å²	77.7	58%	0.578	39%	0.389	S	S	*	.	H	α-helix	trans	-66.9	-39.6	174.4	-74.5	-16.2	0	0	0	111.3	E255 L261 G262 E263	E255-D259 WeakPolarHBondContact O-CB 3.47Å; E255-D259 PolarHBondContact O-N 3.28Å; D259-L261 VanDerWaalsContact C-N 3.29Å; D259-L261 PolarHBondContact O-N 3.37Å; D259-G262 PolarHBondContact O-N 2.64Å; D259-G262 VanDerWaalsContact O-N 3.15Å; D259-E263 WeakPolarHBondContact O-CG 3.44Å; D259-E263 PolarHBondContact O-N 3.31Å
260	L	38.8	Very low	40.4	Very low	56 Å²	56	68.7 Å²	68.7	29%	0.293	35%	0.348	S	S	.	.	H	α-helix	trans	-62.2	-32.8	171.5	-76	168	0	0	0	112.5	Y238 E256 G262 V264	Y238-L260 HydrophobicContact CE2-CB 4.12Å; Y238-L260 WeakPolarHBondContact CE2-O 3.49Å; E256-L260 WeakPolarHBondContact O-CB 3.48Å; E256-L260 WeakPolarHBondContact O-CD1 3.47Å; E256-L260 WeakPolarHBondContact O-CG 3.21Å; E256-L260 PolarHBondContact O-N 3.39Å; L260-G262 VanDerWaalsContact C-N 3.34Å; L260-V264 HydrophobicContact CD2-CG2 4.5Å; L260-V264 WeakPolarHBondContact O-CB 3.39Å; L260-V264 WeakPolarHBondContact O-CG2 3.21Å; L260-V264 PolarHBondContact O-N 3.33Å
261	L	40.2	Very low	41.3	Very low	17 Å²	17	65.2 Å²	65.2	9%	0.089	33%	0.334	C	S	.	.	H	α-helix	trans	-64.6	-40.4	173.8	-74.2	161.4	0	0	0	111.5	Y238 V257 A258 D259 I265 Y507 F565	Y238-L261 HydrophobicContact CD1-CD2 4.46Å; Y238-L261 HydrophobicContact CE1-CD2 3.23Å; Y238-L261 HydrophobicContact CE1-CG 4.16Å; Y238-L261 VanDerWaalsContact CZ-CD2 3.49Å; Y238-L261 VanDerWaalsContact OH-CA 3.24Å; Y238-L261 WeakPolarHBondContact OH-CA 3.22Å; Y238-L261 WeakPolarHBondContact OH-CD2 3.29Å; Y238-L261 WeakPolarHBondContact OH-CG 3.5Å; Y238-L261 PolarHBondContact OH-N 2.88Å; Y238-L261 VanDerWaalsContact OH-N 3.09Å; V257-L261 WeakPolarHBondContact O-CG 3.36Å; V257-L261 PolarHBondContact O-N 3.5Å; A258-L261 WeakPolarHBondContact O-CB 3.22Å; A258-L261 PolarHBondContact O-N 2.99Å; D259-L261 VanDerWaalsContact C-N 3.29Å; D259-L261 PolarHBondContact O-N 3.37Å; L261-I265 PolarHBondContact O-N 3.04Å; L261-Y507 HydrophobicContact CB-CD2 4.17Å; L261-Y507 HydrophobicContact CB-CE1 4.36Å; L261-Y507 HydrophobicContact CB-CE2 3.91Å; L261-Y507 HydrophobicContact CB-CG 4.47Å; L261-Y507 HydrophobicContact CD1-CD1 4.4Å; L261-Y507 HydrophobicContact CD1-CD2 3.19Å; L261-Y507 HydrophobicContact CD1-CE2 3.76Å; L261-Y507 HydrophobicContact CD1-CG 3.55Å; L261-Y507 HydrophobicContact CG-CD2 4.16Å; L261-Y507 HydrophobicContact CG-CE2 4.38Å; L261-Y507 HydrophobicContact CG-CG 4.36Å; L261-F565 HydrophobicContact CD1-CE2 4.28Å; L261-F565 HydrophobicContact CD1-CZ 3.73Å
262	G	37.1	Very low	41.9	Very low	8 Å²	8	63.4 Å²	63.4	8%	0.082	33%	0.326	C	S	.	.	H	α-helix	trans	-70.3	-42.1	176.8	0	0	0	0	0	113.2	A258 D259 L260	A258-G262 PolarHBondContact O-N 2.8Å; D259-G262 PolarHBondContact O-N 2.64Å; D259-G262 VanDerWaalsContact O-N 3.15Å; L260-G262 VanDerWaalsContact C-N 3.34Å
263	E	36.5	Very low	42	Very low	142 Å²	142	66.3 Å²	66.3	66%	0.664	35%	0.345	S	S	*	.	H	α-helix	trans	-71.4	-31	178.6	-71.2	-171.4	166.6	0	0	112.9	D259	D259-E263 WeakPolarHBondContact O-CG 3.44Å; D259-E263 PolarHBondContact O-N 3.31Å
264	V	33.5	Very low	42.2	Very low	41 Å²	41	69.4 Å²	69.4	25%	0.248	35%	0.354	C	S	.	.	H	α-helix	trans	-102.9	-10.4	-169.1	-168.1	0	0	0	0	114.5	Y238 L260 P266	Y238-V264 VanDerWaalsContact CB-CG1 3.41Å; Y238-V264 HydrophobicContact CD1-CG1 4.43Å; Y238-V264 HydrophobicContact CD2-CB 3.18Å; Y238-V264 HydrophobicContact CD2-CG1 3.1Å; Y238-V264 HydrophobicContact CD2-CG2 3.49Å; Y238-V264 VanDerWaalsContact CD2-CG2 3.49Å; Y238-V264 HydrophobicContact CE2-CB 3.47Å; Y238-V264 VanDerWaalsContact CE2-CB 3.47Å; Y238-V264 HydrophobicContact CE2-CG1 3.95Å; Y238-V264 HydrophobicContact CE2-CG2 3.58Å; Y238-V264 HydrophobicContact CG-CB 3.74Å; Y238-V264 HydrophobicContact CG-CG1 3.36Å; Y238-V264 HydrophobicContact CG-CG2 4.49Å; L260-V264 HydrophobicContact CD2-CG2 4.5Å; L260-V264 WeakPolarHBondContact O-CB 3.39Å; L260-V264 WeakPolarHBondContact O-CG2 3.21Å; L260-V264 PolarHBondContact O-N 3.33Å; V264-P266 VanDerWaalsContact C-CD 3.45Å; V264-P266 VanDerWaalsContact O-CD 3.23Å; V264-P266 WeakPolarHBondContact O-CD 3.41Å
265	I	40.8	Very low	42.4	Very low	9 Å²	9	72.2 Å²	72.2	5%	0.046	36%	0.363	C	S	.	.	S	Bend	trans	-106.5	85	159.1	-53.9	173.8	0	0	0	106.5	V235 L261 G267 L268 M473 F510	V235-I265 HydrophobicContact CG2-CG1 4.25Å; L261-I265 PolarHBondContact O-N 3.04Å; I265-G267 PolarHBondContact O-N 3.46Å; I265-L268 HydrophobicContact CB-CB 3.71Å; I265-L268 HydrophobicContact CB-CD2 4.23Å; I265-L268 HydrophobicContact CD1-CD2 3.56Å; I265-L268 HydrophobicContact CG1-CD2 4.46Å; I265-L268 HydrophobicContact CG2-CB 3.59Å; I265-L268 HydrophobicContact CG2-CD2 4.22Å; I265-L268 HydrophobicContact CG2-CG 4.46Å; I265-L268 WeakPolarHBondContact O-CB 3.44Å; I265-L268 PolarHBondContact O-N 2.99Å; I265-M473 HydrophobicContact CG2-CE 4.04Å; I265-M473 HydrophobicContact CG2-SD 3.51Å; I265-M473 VanDerWaalsContact CG2-SD 3.51Å; I265-F510 HydrophobicContact CD1-CE2 4.46Å; I265-F510 HydrophobicContact CD1-CZ 4.46Å
266	P	39.1	Very low	42.5	Very low	58 Å²	58	69.3 Å²	69.3	38%	0.377	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	121.8	-179.1	-29.2	39	0	0	0	109.7	K234 V264	K234-P266 HydrophobicContact CD-CG 3.72Å; V264-P266 VanDerWaalsContact C-CD 3.45Å; V264-P266 VanDerWaalsContact O-CD 3.23Å; V264-P266 WeakPolarHBondContact O-CD 3.41Å
267	G	48.2	Very low	42.5	Very low	9 Å²	9	67.8 Å²	67.8	9%	0.093	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.7	-17.5	-173.4	0	0	0	0	0	114.7	I265 E269 K477	I265-G267 PolarHBondContact O-N 3.46Å; G267-E269 PolarHBondContact O-N 3.13Å; G267-K477 WeakPolarHBondContact O-CE 3.21Å; G267-K477 PolarHBondContact O-NZ 2.86Å
268	L	50.9	Low	42.5	Very low	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.391	C	S	.	.			trans	-94	34.8	178.2	-158.8	75.5	0	0	0	114	I265 I270 M473 M476 K477 Y507 F510	I265-L268 HydrophobicContact CB-CB 3.71Å; I265-L268 HydrophobicContact CB-CD2 4.23Å; I265-L268 HydrophobicContact CD1-CD2 3.56Å; I265-L268 HydrophobicContact CG1-CD2 4.46Å; I265-L268 HydrophobicContact CG2-CB 3.59Å; I265-L268 HydrophobicContact CG2-CD2 4.22Å; I265-L268 HydrophobicContact CG2-CG 4.46Å; I265-L268 WeakPolarHBondContact O-CB 3.44Å; I265-L268 PolarHBondContact O-N 2.99Å; L268-I270 PolarHBondContact O-N 3.47Å; L268-M473 HydrophobicContact CD1-CB 4.08Å; L268-M476 HydrophobicContact CD1-CB 4.01Å; L268-K477 VanDerWaalsContact C-CE 3.41Å; L268-K477 HydrophobicContact CD1-CG 3.81Å; L268-Y507 HydrophobicContact CD2-CD1 4.11Å; L268-Y507 HydrophobicContact CD2-CE1 3.67Å; L268-Y507 HydrophobicContact CG-CE1 4.28Å; L268-F510 HydrophobicContact CD1-CE2 4.18Å; L268-F510 HydrophobicContact CD2-CD2 3.99Å; L268-F510 HydrophobicContact CD2-CE2 3.74Å
269	E	51.6	Low	43	Very low	111 Å²	111	77 Å²	77	52%	0.519	40%	0.402	S	S	.	.			trans	-77.6	104.3	170.7	-66.8	172.3	-165.9	0	0	110.6	G267 N271 K477	G267-E269 PolarHBondContact O-N 3.13Å; E269-N271 PolarHBondContact O-N 3.37Å; E269-K477 VanDerWaalsContact N-CE 3.32Å; E269-K477 WeakPolarHBondContact O-CE 3.43Å; E269-K477 PolarHBondContact O-NZ 2.72Å
270	I	54.9	Low	43.5	Very low	20 Å²	20	77.2 Å²	77.2	10%	0.103	41%	0.406	C	S	.	.			trans	-84.6	99	171.4	-56.8	175.9	0	0	0	107.6	L268 Q272 K477 L480 I481 Y505 Y507	L268-I270 PolarHBondContact O-N 3.47Å; I270-Q272 PolarHBondContact O-N 3.01Å; I270-K477 HydrophobicContact CG1-CB 4.27Å; I270-K477 HydrophobicContact CG1-CD 4.26Å; I270-K477 HydrophobicContact CG1-CG 3.93Å; I270-L480 HydrophobicContact CD1-CB 4.37Å; I270-L480 HydrophobicContact CD1-CD1 4.18Å; I270-I481 HydrophobicContact CG2-CD1 4.09Å; I270-I481 HydrophobicContact CG2-CG1 4.09Å; I270-Y505 HydrophobicContact CB-CD1 3.85Å; I270-Y505 HydrophobicContact CB-CE1 3.83Å; I270-Y505 HydrophobicContact CD1-CD1 4Å; I270-Y505 HydrophobicContact CD1-CG 4.43Å; I270-Y505 HydrophobicContact CG2-CD1 3.67Å; I270-Y505 HydrophobicContact CG2-CE1 3.54Å; I270-Y505 PolarHBondContact O-OH 3.48Å; I270-Y507 HydrophobicContact CD1-CE1 4.27Å
271	N	46.7	Very low	44.5	Very low	95 Å²	95	75.2 Å²	75.2	51%	0.508	40%	0.396	S	S	.	.			trans	-69.9	127.8	179	-78.1	-28.1	0	0	0	110.9	E269 Q273 E274	E269-N271 PolarHBondContact O-N 3.37Å; N271-Q273 PolarHBondContact O-N 3.39Å; N271-E274 PolarHBondContact O-N 3.07Å; N271-E274 VanDerWaalsContact O-N 3.09Å
272	Q	44.1	Very low	45.3	Very low	156 Å²	156	78.2 Å²	78.2	73%	0.729	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-17	173.1	-67.4	-179.2	4.2	0	0	113.7	I270 Y505	I270-Q272 PolarHBondContact O-N 3.01Å; Q272-Y505 WeakPolarHBondContact CG-OH 3.37Å
273	Q	38.6	Very low	46.3	Very low	189 Å²	189	88.7 Å²	88.7	88%	0.883	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.8	-179.4	-66.6	-176	-2	0	0	114.1	N271 E275	N271-Q273 PolarHBondContact O-N 3.39Å; Q273-E275 PolarHBondContact O-N 2.97Å
274	E	40.6	Very low	48.3	Very low	124 Å²	124	84.2 Å²	84.2	58%	0.579	43%	0.432	S	S	*	.			trans	-89	35.3	171.6	-68	-173.1	167.5	0	0	111.3	N271 P276	N271-E274 PolarHBondContact O-N 3.07Å; N271-E274 VanDerWaalsContact O-N 3.09Å; E274-P276 WeakPolarHBondContact O-CD 3.47Å
275	E	41.8	Very low	50.6	Low	109 Å²	109	89 Å²	89	51%	0.509	46%	0.456	S	S	.	.			trans	-58.7	125.8	166.9	-86	-170.2	159.1	0	0	109	Q273 G277 F278	Q273-E275 PolarHBondContact O-N 2.97Å; E275-G277 PolarHBondContact O-N 3.17Å; E275-F278 WeakPolarHBondContact OE2-CE2 3.24Å; E275-F278 VanDerWaalsContact OE2-CZ 3.3Å; E275-F278 WeakPolarHBondContact OE2-CZ 3.41Å
276	P	42.3	Very low	52.9	Low	69 Å²	69	89.3 Å²	89.3	45%	0.448	46%	0.458	S	S	.	.			trans	-54.6	119.9	165.2	-15	26.9	0	0	0	106.4	E274 F278 I481	E274-P276 WeakPolarHBondContact O-CD 3.47Å; P276-F278 PolarHBondContact O-N 3.21Å; P276-I481 HydrophobicContact CG-CG2 4.07Å
277	G	41.5	Very low	55.2	Low	62 Å²	62	88.4 Å²	88.4	64%	0.639	46%	0.459	S	S	*	.			trans	-41.5	133	-170.1	0	0	0	0	0	112.2	E275 E279	E275-G277 PolarHBondContact O-N 3.17Å; G277-E279 PolarHBondContact O-N 3.3Å
278	F	43.3	Very low	57.2	Low	162 Å²	162	94.5 Å²	94.5	71%	0.711	50%	0.495	S	S	*	.			trans	-40.1	87.7	-174.3	-80.1	-98.1	0	0	0	113.9	E275 P276	E275-F278 WeakPolarHBondContact OE2-CE2 3.24Å; E275-F278 VanDerWaalsContact OE2-CZ 3.3Å; E275-F278 WeakPolarHBondContact OE2-CZ 3.41Å; P276-F278 PolarHBondContact O-N 3.21Å
279	E	50.4	Low	59.4	Low	73 Å²	73	97.4 Å²	97.4	34%	0.341	51%	0.506	S	S	.	.			trans	-88.3	122	163.1	-77.1	-172.4	149.7	0	0	107.4	G277 I281 P602 S604	G277-E279 PolarHBondContact O-N 3.3Å; E279-I281 VanDerWaalsContact C-N 3.31Å; E279-I281 PolarHBondContact O-N 2.87Å; E279-P602 WeakPolarHBondContact OE2-CB 3.42Å; E279-S604 WeakPolarHBondContact OE2-CB 3.43Å; E279-S604 PolarHBondContact OE2-N 2.82Å; E279-S604 PolarHBondContact OE2-OG 2.91Å
280	V	52.7	Low	61.4	Low	111 Å²	111	94.5 Å²	94.5	67%	0.673	50%	0.497	S	S	*	.			trans	-72.9	86.1	-178.5	-177.5	0	0	0	0	108.8	T282	V280-T282 WeakPolarHBondContact CG1-OG1 2.85Å; V280-T282 PolarHBondContact O-N 3.08Å
281	I	59.2	Low	63.3	Low	15 Å²	15	102.4 Å²	102.4	8%	0.077	53%	0.533	C	S	.	.			trans	-72.1	-9.4	177.1	-64.8	168.6	0	0	0	112	E279 R283 I284 R488 L489 P602	E279-I281 VanDerWaalsContact C-N 3.31Å; E279-I281 PolarHBondContact O-N 2.87Å; I281-R283 PolarHBondContact O-N 3.24Å; I281-I284 PolarHBondContact O-N 3.32Å; I281-R488 HydrophobicContact CD1-CG 4.21Å; I281-L489 HydrophobicContact CG2-CB 4.19Å; I281-L489 HydrophobicContact CG2-CD1 3.89Å; I281-P602 HydrophobicContact CG1-CG 4.3Å
282	T	56.4	Low	65.6	Low	79 Å²	79	98.6 Å²	98.6	49%	0.485	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	3.9	-167.7	60.9	0	0	0	0	116.4	V280 L492	V280-T282 WeakPolarHBondContact CG1-OG1 2.85Å; V280-T282 PolarHBondContact O-N 3.08Å; T282-L492 HydrophobicContact CG2-CD2 4.04Å
283	R	59.2	Low	68	Low	229 Å²	229	95.4 Å²	95.4	86%	0.864	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.1	17.5	-175.5	-60.4	-169.9	-179.2	-173	1.1	115.4	I281	I281-R283 PolarHBondContact O-N 3.24Å
284	I	79.1	Confident	70.7	Confident	48 Å²	48	87.3 Å²	87.3	25%	0.246	47%	0.47	C	S	.	.			trans	-92.6	115.9	-179.1	-57.1	-179.3	0	0	0	109.6	I281 L286 L489 C598 P602	I281-I284 PolarHBondContact O-N 3.32Å; I284-L286 HydrophobicContact CG2-CD2 4.23Å; I284-L489 HydrophobicContact CB-CD1 4.26Å; I284-L489 HydrophobicContact CD1-CD1 4.21Å; I284-L489 HydrophobicContact CG2-CD1 4.25Å; I284-C598 WeakPolarHBondContact CG2-SG 3.4Å; I284-P602 HydrophobicContact CD1-CG 3.39Å
285	D	81.8	Confident	73.4	Confident	140 Å²	140	84.4 Å²	84.4	75%	0.749	46%	0.46	S	S	*	.			trans	-87.3	109.7	169.8	-178	10.5	0	0	0	109.3	G287	D285-G287 PolarHBondContact O-N 2.83Å; D285-G287 PolarHBondContact OD1-N 3.06Å
286	L	87.6	Confident	76	Confident	16 Å²	16	86.3 Å²	86.3	8%	0.084	47%	0.469	C	S	.	.			trans	-76.6	-5.7	177.5	-67.9	177.8	0	0	0	113.2	I284 L489 L490 Q594 C598	I284-L286 HydrophobicContact CG2-CD2 4.23Å; L286-L489 HydrophobicContact CD1-CG 4.15Å; L286-L489 HydrophobicContact CD2-CD1 4.19Å; L286-L489 HydrophobicContact CD2-CD2 4.19Å; L286-L489 HydrophobicContact CD2-CG 4.25Å; L286-L490 HydrophobicContact CD1-CD2 3.91Å; L286-Q594 HydrophobicContact CB-CG 4.05Å; L286-Q594 WeakPolarHBondContact O-CG 3.3Å; L286-C598 HydrophobicContact CD2-CB 3.99Å
287	G	87.7	Confident	78.6	Confident	39 Å²	39	85 Å²	85	40%	0.402	46%	0.461	S	S	.	.			trans	65.8	-167.3	-175	0	0	0	0	0	113.3	D285 Q594	D285-G287 PolarHBondContact O-N 2.83Å; D285-G287 PolarHBondContact OD1-N 3.06Å; G287-Q594 PolarHBondContact O-NE2 2.83Å
288	T	91.7	Very high	81.3	Confident	137 Å²	137	82.1 Å²	82.1	84%	0.84	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-78.2	134.2	-177.5	-50.4	0	0	0	0	111.8
289	R	95.3	Very high	83.8	Confident	62 Å²	62	76.9 Å²	76.9	23%	0.234	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-65.6	123.4	174.1	-167.4	178.5	-62.9	160.7	1.9	110.7	D552 Q594	R289-D552 IonicContact CZ-OD2 3.95Å; R289-D552 IonicContact NH1-OD2 2.8Å; R289-D552 PolarHBondContact NH1-OD2 2.99Å; R289-D552 IonicContact NH2-OD1 2.84Å; R289-D552 PolarHBondContact NH2-OD1 3.27Å; R289-D552 IonicContact NH2-OD2 2.72Å; R289-D552 PolarHBondContact NH2-OD2 3.18Å; R289-Q594 HydrophobicContact CB-CG 4.48Å; R289-Q594 HydrophobicContact CG-CB 4.35Å
290	P	95.4	Very high	86	Confident	50 Å²	50	75.4 Å²	75.4	33%	0.325	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-69.7	145.5	177.1	28.3	-32.7	0	0	0	110.9	L593	P290-L593 HydrophobicContact CG-CB 3.48Å; P290-L593 VanDerWaalsContact CG-CB 3.48Å; P290-L593 HydrophobicContact CG-CD1 4.07Å; P290-L593 HydrophobicContact CG-CG 4.44Å
291	Q	93.1	Very high	88.1	Confident	185 Å²	185	75.8 Å²	75.8	86%	0.864	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-77.4	133.5	172	-67.1	-62.7	-41.8	0	0	109.8
292	V	96.4	Very high	89.8	Confident	15 Å²	15	78.5 Å²	78.5	9%	0.091	42%	0.422	C	S	.	.			trans	-119	127.9	-178	177.2	0	0	0	0	109.1	Q586 E589 L593	V292-Q586 WeakPolarHBondContact O-CG 3.4Å; V292-E589 HydrophobicContact CG1-CB 4.08Å; V292-E589 HydrophobicContact CG1-CG 4.03Å; V292-E589 WeakPolarHBondContact CG1-OE2 3.24Å; V292-E589 HydrophobicContact CG2-CB 4.3Å; V292-E589 HydrophobicContact CG2-CG 4.17Å; V292-L593 HydrophobicContact CG2-CD1 3.74Å
293	S	94.6	Very high	91.7	Very high	90 Å²	90	75 Å²	75	63%	0.629	40%	0.4	S	S	*	.			trans	-98.9	138.8	168	59.3	0	0	0	0	110.4
294	R	95.6	Very high	93.3	Very high	19 Å²	19	67.6 Å²	67.6	7%	0.072	38%	0.384	C	S	.	.			trans	-89.7	173.2	168.1	-46.1	-78.7	-71.6	157.7	12	109.4	F324 K325 E582 Q586	R294-F324 PolarHBondContact NH1-O 3.38Å; R294-F324 PolarHBondContact NH2-O 2.73Å; R294-K325 WeakPolarHBondContact CB-O 3.23Å; R294-K325 PolarHBondContact NE-O 3.09Å; R294-K325 PolarHBondContact NH2-O 3.04Å; R294-E582 WeakPolarHBondContact CB-OE1 3.23Å; R294-E582 VanDerWaalsContact CG-CD 3.5Å; R294-E582 WeakPolarHBondContact CG-OE1 3.42Å; R294-Q586 HydrophobicContact CG-CG 3.53Å
295	V	96.1	Very high	94	Very high	62 Å²	62	73 Å²	73	38%	0.376	41%	0.406	S	S	.	.			trans	-124.9	167.3	179.1	-59.6	0	0	0	0	110.1	K325 G326	V295-K325 HydrophobicContact CG2-CB 3.61Å; V295-K325 PolarHBondContact N-O 2.88Å; V295-K325 VanDerWaalsContact N-O 3.13Å; V295-G326 WeakPolarHBondContact O-CA 3.39Å
296	E	96	Very high	94.6	Very high	150 Å²	150	68 Å²	68	70%	0.701	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-57.8	151.2	175.6	-70.5	-58	146.2	0	0	112.4	R322	E296-R322 PolarHBondContact O-NH1 2.86Å; E296-R322 PolarHBondContact O-NH2 3.48Å
297	P	97.6	Very high	94.9	Very high	42 Å²	42	69.6 Å²	69.6	27%	0.273	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-58.3	154	175.6	-22.2	32.9	0	0	0	113.1	S299 G326 G327	P297-S299 PolarHBondContact O-N 3.04Å; P297-G326 WeakPolarHBondContact CA-O 3.34Å; P297-G327 WeakPolarHBondContact CA-O 3.44Å
298	V	97.8	Very high	95.2	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-61.9	122.6	172.1	174.3	0	0	0	0	109.3	Y302 W303 R322 I323 G327 L328 C329	V298-Y302 HydrophobicContact CG1-CD1 3.71Å; V298-Y302 HydrophobicContact CG1-CG 4.31Å; V298-Y302 HydrophobicContact CG2-CD1 4.48Å; V298-W303 HydrophobicContact CG1-CB 4.27Å; V298-R322 HydrophobicContact CG2-CB 4.28Å; V298-R322 HydrophobicContact CG2-CG 3.57Å; V298-I323 HydrophobicContact CG2-CG1 4.05Å; V298-G327 PolarHBondContact N-O 3.48Å; V298-L328 HydrophobicContact CB-CD2 3.93Å; V298-L328 HydrophobicContact CG1-CD2 4.39Å; V298-L328 HydrophobicContact CG2-CD2 4.36Å; V298-C329 WeakPolarHBondContact O-CB 3.39Å; V298-C329 PolarHBondContact O-N 3.18Å; V298-C329 PolarHBondContact O-SG 3.49Å
299	S	97.4	Very high	95.3	Very high	53 Å²	53	68.3 Å²	68.3	37%	0.371	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-81.7	162.1	175.8	67.9	0	0	0	0	112	P297 D301 Y302 W303	P297-S299 PolarHBondContact O-N 3.04Å; S299-D301 VanDerWaalsContact C-N 3.29Å; S299-D301 PolarHBondContact O-N 3.07Å; S299-Y302 PolarHBondContact O-N 2.82Å; S299-Y302 VanDerWaalsContact O-N 3.17Å; S299-Y302 PolarHBondContact OG-N 3.48Å; S299-W303 PolarHBondContact O-N 3.33Å
300	A	96.3	Very high	95.3	Very high	41 Å²	41	70 Å²	70	34%	0.339	38%	0.381	S	S	.	.	H	α-helix	trans	-55.8	-43.8	173	0	0	0	0	0	112.2	Y302 W303 S304 V332	A300-Y302 VanDerWaalsContact C-N 3.32Å; A300-Y302 PolarHBondContact O-N 3.11Å; A300-W303 WeakPolarHBondContact O-CB 3.16Å; A300-W303 PolarHBondContact O-N 3.04Å; A300-S304 PolarHBondContact O-N 3.45Å; A300-S304 PolarHBondContact O-OG 3.31Å; A300-V332 VanDerWaalsContact CA-CG2 3.47Å; A300-V332 HydrophobicContact CB-CG2 3.95Å
301	D	95.5	Very high	95.3	Very high	119 Å²	119	68 Å²	68	64%	0.636	37%	0.369	S	S	*	.	H	α-helix	trans	-63.3	-37.3	177.9	-62.7	-21	0	0	0	112.7	S299 K305	S299-D301 VanDerWaalsContact C-N 3.29Å; S299-D301 PolarHBondContact O-N 3.07Å; D301-K305 WeakPolarHBondContact O-CD 3.17Å; D301-K305 VanDerWaalsContact O-CG 3.25Å; D301-K305 WeakPolarHBondContact O-CG 3.46Å; D301-K305 PolarHBondContact O-N 3.12Å
302	Y	95	Very high	95.4	Very high	73 Å²	73	63.4 Å²	63.4	29%	0.286	34%	0.344	S	S	.	.	H	α-helix	trans	-67.6	-44.3	176.3	-173.3	-80.5	0	0	0	110.4	V298 S299 A300 K305 H306 L319 R322	V298-Y302 HydrophobicContact CG1-CD1 3.71Å; V298-Y302 HydrophobicContact CG1-CG 4.31Å; V298-Y302 HydrophobicContact CG2-CD1 4.48Å; S299-Y302 PolarHBondContact O-N 2.82Å; S299-Y302 VanDerWaalsContact O-N 3.17Å; S299-Y302 PolarHBondContact OG-N 3.48Å; A300-Y302 VanDerWaalsContact C-N 3.32Å; A300-Y302 PolarHBondContact O-N 3.11Å; Y302-K305 PolarHBondContact O-N 2.78Å; Y302-H306 AromaticContact CD1-CE1 3.58Å; Y302-H306 AromaticContact CD1-ND1 3.68Å; Y302-H306 AromaticContact CE1-CE1 3.03Å; Y302-H306 WeakPolarHBondContact CE1-CE1 3.49Å; Y302-H306 AromaticContact CE1-ND1 3.52Å; Y302-H306 AromaticContact CE1-NE2 3.51Å; Y302-H306 AromaticContact CE2-CE1 3.76Å; Y302-H306 AromaticContact CZ-CE1 3.13Å; Y302-H306 AromaticContact CZ-NE2 3.53Å; Y302-H306 PolarHBondContact O-ND1 2.94Å; Y302-H306 PolarHBondContact OH-CE1 3.42Å; Y302-H306 PolarHBondContact OH-NE2 3.35Å; Y302-L319 HydrophobicContact CD1-CD1 4.27Å; Y302-L319 HydrophobicContact CE1-CD1 3.9Å; Y302-R322 HydrophobicContact CE1-CB 4.35Å; Y302-R322 HydrophobicContact CE1-CG 3.84Å
303	W	95.8	Very high	95.4	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.015	34%	0.343	C	S	.	.	H	α-helix	trans	-59.5	-50.4	177.9	-179.8	-98.7	0	0	0	112.2	V298 S299 A300 K305 H306 I313 L319 I323 V332 E335 A336 F339 W346	V298-W303 HydrophobicContact CG1-CB 4.27Å; S299-W303 PolarHBondContact O-N 3.33Å; A300-W303 WeakPolarHBondContact O-CB 3.16Å; A300-W303 PolarHBondContact O-N 3.04Å; W303-K305 PolarHBondContact O-N 2.81Å; W303-H306 PolarHBondContact O-N 2.62Å; W303-I313 HydrophobicContact CH2-CD1 4.13Å; W303-I313 HydrophobicContact CZ2-CD1 3.89Å; W303-L319 HydrophobicContact CE3-CD1 4.16Å; W303-L319 HydrophobicContact CE3-CD2 3.91Å; W303-L319 HydrophobicContact CE3-CG 4.44Å; W303-L319 HydrophobicContact CH2-CD2 4.16Å; W303-L319 HydrophobicContact CZ3-CD1 4.33Å; W303-L319 HydrophobicContact CZ3-CD2 3.51Å; W303-L319 HydrophobicContact CZ3-CG 4.12Å; W303-I323 HydrophobicContact CZ3-CD1 4.37Å; W303-V332 HydrophobicContact CB-CG1 3.88Å; W303-V332 HydrophobicContact CB-CG2 4.05Å; W303-V332 HydrophobicContact CD2-CG1 3.43Å; W303-V332 VanDerWaalsContact CD2-CG1 3.43Å; W303-V332 HydrophobicContact CE3-CG1 3.77Å; W303-V332 HydrophobicContact CG-CG1 3.45Å; W303-V332 VanDerWaalsContact CG-CG1 3.45Å; W303-V332 HydrophobicContact CG-CG2 4.32Å; W303-E335 HydrophobicContact CZ2-CG 4.26Å; W303-E335 PolarHBondContact NE1-OE2 3.15Å; W303-A336 HydrophobicContact CE3-CB 4.16Å; W303-A336 HydrophobicContact CH2-CB 3.44Å; W303-A336 VanDerWaalsContact CH2-CB 3.44Å; W303-A336 HydrophobicContact CZ2-CB 3.89Å; W303-A336 HydrophobicContact CZ3-CB 3.56Å; W303-F339 HydrophobicContact CH2-CD2 4.05Å; W303-F339 AromaticContact CZ2-CD2 3.92Å; W303-F339 HydrophobicContact CZ2-CD2 3.92Å; W303-F339 HydrophobicContact CZ2-CE2 4.01Å; W303-W346 HydrophobicContact CH2-CZ3 4.36Å
304	S	93.9	Very high	95.3	Very high	75 Å²	75	64.4 Å²	64.4	52%	0.524	34%	0.338	S	S	.	.	H	α-helix	trans	-62.3	-29.1	179.8	-61.8	0	0	0	0	113.5	A300 H306 Q307	A300-S304 PolarHBondContact O-N 3.45Å; A300-S304 PolarHBondContact O-OG 3.31Å; S304-H306 PolarHBondContact O-N 3.38Å; S304-Q307 PolarHBondContact O-N 3.03Å
305	K	94	Very high	95.1	Very high	162 Å²	162	68.8 Å²	68.8	70%	0.704	36%	0.363	S	S	*	.	H	α-helix	trans	-71.1	-17.4	175.2	-74.9	171.1	-175.4	175.8	0	114	D301 Y302 W303 Q307	D301-K305 WeakPolarHBondContact O-CD 3.17Å; D301-K305 VanDerWaalsContact O-CG 3.25Å; D301-K305 WeakPolarHBondContact O-CG 3.46Å; D301-K305 PolarHBondContact O-N 3.12Å; Y302-K305 PolarHBondContact O-N 2.78Å; W303-K305 PolarHBondContact O-N 2.81Å; K305-Q307 VanDerWaalsContact C-N 3.32Å
306	H	93.2	Very high	95	Very high	33 Å²	33	68.5 Å²	68.5	15%	0.153	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	10.6	176.6	-69	67.2	0	0	0	111.8	Y302 W303 S304 I313 E314 L319	Y302-H306 AromaticContact CD1-CE1 3.58Å; Y302-H306 AromaticContact CD1-ND1 3.68Å; Y302-H306 AromaticContact CE1-CE1 3.03Å; Y302-H306 WeakPolarHBondContact CE1-CE1 3.49Å; Y302-H306 AromaticContact CE1-ND1 3.52Å; Y302-H306 AromaticContact CE1-NE2 3.51Å; Y302-H306 AromaticContact CE2-CE1 3.76Å; Y302-H306 AromaticContact CZ-CE1 3.13Å; Y302-H306 AromaticContact CZ-NE2 3.53Å; Y302-H306 PolarHBondContact O-ND1 2.94Å; Y302-H306 PolarHBondContact OH-CE1 3.42Å; Y302-H306 PolarHBondContact OH-NE2 3.35Å; W303-H306 PolarHBondContact O-N 2.62Å; S304-H306 PolarHBondContact O-N 3.38Å; H306-I313 CarbonylContact O-C 3.58Å; H306-I313 WeakPolarHBondContact O-CA 3.47Å; H306-E314 PolarHBondContact O-N 2.93Å; H306-L319 HydrophobicContact CB-CD2 4.34Å
307	Q	94.1	Very high	95	Very high	51 Å²	51	64.7 Å²	64.7	24%	0.238	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-105.3	131.4	173.5	-68	-175.6	-4	0	0	109.8	S304 K305 R312 I313 E335	S304-Q307 PolarHBondContact O-N 3.03Å; K305-Q307 VanDerWaalsContact C-N 3.32Å; Q307-R312 WeakPolarHBondContact CA-O 3.5Å; Q307-I313 HydrophobicContact CG-CD1 3.87Å; Q307-E335 PolarHBondContact NE2-OE1 3.46Å; Q307-E335 VanDerWaalsContact NE2-OE1 3.14Å; Q307-E335 PolarHBondContact NE2-OE2 2.65Å
308	D	93.7	Very high	94.8	Very high	22 Å²	22	64.4 Å²	64.4	12%	0.118	35%	0.353	C	S	.	.			trans	-74.6	171	170.1	80	4.4	0	0	0	111.3	E310 G311 R312 E314	D308-E310 PolarHBondContact O-N 3Å; D308-E310 VanDerWaalsContact O-N 3.16Å; D308-E310 WeakPolarHBondContact OD1-CA 3.45Å; D308-E310 PolarHBondContact OD1-N 3.3Å; D308-G311 WeakPolarHBondContact O-CA 3.26Å; D308-G311 PolarHBondContact O-N 3Å; D308-G311 PolarHBondContact OD1-N 3.34Å; D308-R312 PolarHBondContact N-O 3.03Å; D308-R312 PolarHBondContact OD1-N 3Å; D308-R312 WeakPolarHBondContact OD2-CB 3.28Å; D308-R312 IonicContact OD2-CZ 2.81Å; D308-R312 IonicContact OD2-NE 3.97Å; D308-R312 PolarHBondContact OD2-NE 3.47Å; D308-R312 IonicContact OD2-NH2 2.82Å; D308-R312 PolarHBondContact OD2-NH2 2.94Å; D308-E314 HydrophobicContact CB-CG 4.11Å
309	P	95.3	Very high	94.7	Very high	126 Å²	126	64.4 Å²	64.4	82%	0.818	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-23.7	-179.9	-25.6	36.2	0	0	0	114.7	G311	P309-G311 VanDerWaalsContact C-N 3.34Å
310	E	95.8	Very high	94.8	Very high	98 Å²	98	64.2 Å²	64.2	46%	0.458	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.2	175.5	-65.7	77.7	-143.9	0	0	112.9	D308 R312 T349 L350	D308-E310 PolarHBondContact O-N 3Å; D308-E310 VanDerWaalsContact O-N 3.16Å; D308-E310 WeakPolarHBondContact OD1-CA 3.45Å; D308-E310 PolarHBondContact OD1-N 3.3Å; E310-R312 IonicContact OE2-CZ 2.73Å; E310-R312 IonicContact OE2-NH2 3.13Å; E310-R312 PolarHBondContact OE2-NH2 3.12Å; E310-T349 HydrophobicContact CB-CG2 4.06Å; E310-L350 PolarHBondContact O-N 3.29Å
311	G	94.1	Very high	94.8	Very high	8 Å²	8	66.2 Å²	66.2	8%	0.082	35%	0.346	C	S	.	.			trans	83.9	19.6	177.9	0	0	0	0	0	114.8	D308 P309 R353	D308-G311 WeakPolarHBondContact O-CA 3.26Å; D308-G311 PolarHBondContact O-N 3Å; D308-G311 PolarHBondContact OD1-N 3.34Å; P309-G311 VanDerWaalsContact C-N 3.34Å; G311-R353 PolarHBondContact O-NH2 3.38Å
312	R	95.3	Very high	94.9	Very high	89 Å²	89	63.3 Å²	63.3	34%	0.336	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-79.8	150.2	170.8	-58.9	179.3	-73.7	-108.1	-9.5	110.1	Q307 D308 E310 T347 T349	Q307-R312 WeakPolarHBondContact CA-O 3.5Å; D308-R312 PolarHBondContact N-O 3.03Å; D308-R312 PolarHBondContact OD1-N 3Å; D308-R312 WeakPolarHBondContact OD2-CB 3.28Å; D308-R312 IonicContact OD2-CZ 2.81Å; D308-R312 IonicContact OD2-NE 3.97Å; D308-R312 PolarHBondContact OD2-NE 3.47Å; D308-R312 IonicContact OD2-NH2 2.82Å; D308-R312 PolarHBondContact OD2-NH2 2.94Å; E310-R312 IonicContact OE2-CZ 2.73Å; E310-R312 IonicContact OE2-NH2 3.13Å; E310-R312 PolarHBondContact OE2-NH2 3.12Å; R312-T347 VanDerWaalsContact CD-O 3.3Å; R312-T347 WeakPolarHBondContact CD-O 3.49Å; R312-T347 WeakPolarHBondContact CG-O 3.37Å; R312-T349 HydrophobicContact CG-CG2 3.74Å
313	I	95.7	Very high	95.1	Very high	15 Å²	15	59.8 Å²	59.8	8%	0.077	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-82.7	118.6	177.1	-59.3	-67.7	0	0	0	109.6	W303 H306 Q307 L319 F339 W346	W303-I313 HydrophobicContact CH2-CD1 4.13Å; W303-I313 HydrophobicContact CZ2-CD1 3.89Å; H306-I313 CarbonylContact O-C 3.58Å; H306-I313 WeakPolarHBondContact O-CA 3.47Å; Q307-I313 HydrophobicContact CG-CD1 3.87Å; I313-L319 HydrophobicContact CD1-CD2 4.49Å; I313-L319 HydrophobicContact CG2-CD2 3.57Å; I313-F339 HydrophobicContact CD1-CE2 4.4Å; I313-F339 HydrophobicContact CD1-CZ 4.28Å; I313-F339 HydrophobicContact CG1-CD1 4.32Å; I313-F339 HydrophobicContact CG1-CE1 3.87Å; I313-F339 HydrophobicContact CG1-CE2 4.37Å; I313-F339 HydrophobicContact CG1-CZ 3.88Å; I313-W346 HydrophobicContact CB-CE3 4.13Å; I313-W346 HydrophobicContact CG1-CE3 4.04Å; I313-W346 HydrophobicContact CG1-CZ3 4.49Å; I313-W346 HydrophobicContact CG2-CE3 3.96Å; I313-W346 HydrophobicContact CG2-CZ3 4.29Å; I313-W346 PolarHBondContact N-O 3.49Å
314	E	93.2	Very high	95.2	Very high	110 Å²	110	59.6 Å²	59.6	51%	0.514	31%	0.312	S	S	.	.	S	Bend	trans	-83.2	140.1	172.2	-64.2	-167.7	154.9	0	0	111	H306 D308 E316	H306-E314 PolarHBondContact O-N 2.93Å; D308-E314 HydrophobicContact CB-CG 4.11Å; E314-E316 PolarHBondContact O-N 2.93Å
315	N	91	Very high	95.4	Very high	111 Å²	111	58.2 Å²	58.2	59%	0.594	30%	0.296	S	S	*	.			trans	51.6	56.1	176.4	-161.6	-6.8	0	0	0	113.5	A317 A318 L319	N315-A317 PolarHBondContact O-N 3.41Å; N315-A317 VanDerWaalsContact O-N 3.15Å; N315-A318 HydrophobicContact CB-CB 4.32Å; N315-A318 VanDerWaalsContact CG-CB 3.42Å; N315-A318 WeakPolarHBondContact ND2-CB 3.45Å; N315-A318 PolarHBondContact O-N 3Å; N315-A318 WeakPolarHBondContact OD1-CB 3.2Å; N315-A318 PolarHBondContact OD1-N 2.78Å; N315-L319 PolarHBondContact O-N 3.36Å; N315-L319 VanDerWaalsContact O-N 3.12Å
316	E	94.4	Very high	95.5	Very high	57 Å²	57	50.5 Å²	50.5	27%	0.266	26%	0.263	S	S	.	.	H	α-helix	trans	-45.9	-44.7	177.8	179.9	-172.1	160.6	0	0	112.6	E314 A318 L319 R320 W346	E314-E316 PolarHBondContact O-N 2.93Å; E316-A318 PolarHBondContact O-N 2.88Å; E316-L319 PolarHBondContact O-N 3.49Å; E316-L319 VanDerWaalsContact O-N 3.16Å; E316-R320 HydrophobicContact CG-CG 4.27Å; E316-R320 WeakPolarHBondContact O-CG 3.36Å; E316-R320 PolarHBondContact O-N 2.86Å; E316-R320 IonicContact OE1-CZ 2.69Å; E316-R320 IonicContact OE1-NE 2.54Å; E316-R320 PolarHBondContact OE1-NE 2.93Å; E316-R320 IonicContact OE1-NH2 3.61Å; E316-R320 PolarHBondContact OE1-NH2 3.23Å; E316-W346 VanDerWaalsContact CD-CD1 3.4Å; E316-W346 HydrophobicContact CG-CB 4.14Å; E316-W346 HydrophobicContact CG-CD2 3.67Å; E316-W346 HydrophobicContact CG-CE3 3.89Å; E316-W346 HydrophobicContact CG-CG 3.8Å; E316-W346 PolarHBondContact OE1-NE1 3.05Å; E316-W346 WeakPolarHBondContact OE2-CB 3.42Å
317	A	95.4	Very high	95.7	Very high	70 Å²	70	48.9 Å²	48.9	58%	0.579	26%	0.255	S	S	*	.	H	α-helix	trans	-60.3	-44.6	-178.6	0	0	0	0	0	112.4	N315 L319 Q321	N315-A317 PolarHBondContact O-N 3.41Å; N315-A317 VanDerWaalsContact O-N 3.15Å; A317-L319 VanDerWaalsContact C-N 3.33Å; A317-Q321 WeakPolarHBondContact O-CB 3.47Å; A317-Q321 PolarHBondContact O-N 3.35Å
318	A	94.7	Very high	95.9	Very high	36 Å²	36	46.6 Å²	46.6	30%	0.298	24%	0.244	S	C	.	.	H	α-helix	trans	-66.8	-36.8	176.4	0	0	0	0	0	111.8	N315 E316 Q321 R322	N315-A318 HydrophobicContact CB-CB 4.32Å; N315-A318 VanDerWaalsContact CG-CB 3.42Å; N315-A318 WeakPolarHBondContact ND2-CB 3.45Å; N315-A318 PolarHBondContact O-N 3Å; N315-A318 WeakPolarHBondContact OD1-CB 3.2Å; N315-A318 PolarHBondContact OD1-N 2.78Å; E316-A318 PolarHBondContact O-N 2.88Å; A318-Q321 PolarHBondContact O-N 3.13Å; A318-R322 WeakPolarHBondContact O-CB 3.46Å; A318-R322 PolarHBondContact O-N 3.02Å
319	L	96.1	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.1	-46	177.8	-170.8	58.4	0	0	0	111.6	Y302 W303 H306 I313 N315 E316 A317 Q321 R322 I323 W346	Y302-L319 HydrophobicContact CD1-CD1 4.27Å; Y302-L319 HydrophobicContact CE1-CD1 3.9Å; W303-L319 HydrophobicContact CE3-CD1 4.16Å; W303-L319 HydrophobicContact CE3-CD2 3.91Å; W303-L319 HydrophobicContact CE3-CG 4.44Å; W303-L319 HydrophobicContact CH2-CD2 4.16Å; W303-L319 HydrophobicContact CZ3-CD1 4.33Å; W303-L319 HydrophobicContact CZ3-CD2 3.51Å; W303-L319 HydrophobicContact CZ3-CG 4.12Å; H306-L319 HydrophobicContact CB-CD2 4.34Å; I313-L319 HydrophobicContact CD1-CD2 4.49Å; I313-L319 HydrophobicContact CG2-CD2 3.57Å; N315-L319 PolarHBondContact O-N 3.36Å; N315-L319 VanDerWaalsContact O-N 3.12Å; E316-L319 PolarHBondContact O-N 3.49Å; E316-L319 VanDerWaalsContact O-N 3.16Å; A317-L319 VanDerWaalsContact C-N 3.33Å; L319-Q321 VanDerWaalsContact C-N 3.32Å; L319-Q321 PolarHBondContact O-N 3.03Å; L319-R322 WeakPolarHBondContact O-CB 3.44Å; L319-R322 PolarHBondContact O-N 2.81Å; L319-R322 VanDerWaalsContact O-N 3.1Å; L319-I323 HydrophobicContact CG-CD1 4.19Å; L319-I323 VanDerWaalsContact O-CG1 3.27Å; L319-I323 WeakPolarHBondContact O-CG1 3.39Å; L319-I323 PolarHBondContact O-N 3.43Å; L319-W346 HydrophobicContact CD2-CZ3 4.26Å
320	R	97.6	Very high	96.1	Very high	49 Å²	49	46.1 Å²	46.1	19%	0.185	23%	0.234	C	C	.	.	H	α-helix	trans	-56.4	-45.3	171.6	-74.6	-173.9	-178.7	-143.9	9.3	111.1	E316 R322 I323 F324 W346 T535 E536 L537	E316-R320 HydrophobicContact CG-CG 4.27Å; E316-R320 WeakPolarHBondContact O-CG 3.36Å; E316-R320 PolarHBondContact O-N 2.86Å; E316-R320 IonicContact OE1-CZ 2.69Å; E316-R320 IonicContact OE1-NE 2.54Å; E316-R320 PolarHBondContact OE1-NE 2.93Å; E316-R320 IonicContact OE1-NH2 3.61Å; E316-R320 PolarHBondContact OE1-NH2 3.23Å; R320-R322 VanDerWaalsContact C-N 3.31Å; R320-R322 PolarHBondContact O-N 2.92Å; R320-I323 PolarHBondContact O-N 2.89Å; R320-F324 WeakPolarHBondContact O-CB 3.34Å; R320-F324 PolarHBondContact O-N 3.35Å; R320-W346 HydrophobicContact CG-CZ2 4.46Å; R320-T535 PolarHBondContact NH1-O 2.81Å; R320-E536 IonicContact CZ-OE2 2.67Å; R320-E536 IonicContact NH1-OE2 2.81Å; R320-E536 PolarHBondContact NH1-OE2 3.41Å; R320-L537 HydrophobicContact CB-CD1 4.1Å
321	Q	97.4	Very high	96.1	Very high	82 Å²	82	45.6 Å²	45.6	38%	0.383	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-40.1	176.1	-173	64.8	33.7	0	0	112	A317 A318 L319 F324 K325 L537	A317-Q321 WeakPolarHBondContact O-CB 3.47Å; A317-Q321 PolarHBondContact O-N 3.35Å; A318-Q321 PolarHBondContact O-N 3.13Å; L319-Q321 VanDerWaalsContact C-N 3.32Å; L319-Q321 PolarHBondContact O-N 3.03Å; Q321-F324 PolarHBondContact O-N 3.47Å; Q321-K325 WeakPolarHBondContact O-CB 3.35Å; Q321-K325 VanDerWaalsContact O-CG 3.3Å; Q321-K325 WeakPolarHBondContact O-CG 3.42Å; Q321-K325 PolarHBondContact O-N 3.46Å; Q321-L537 HydrophobicContact CB-CD1 4.41Å
322	R	97.4	Very high	96.3	Very high	58 Å²	58	45.6 Å²	45.6	22%	0.219	25%	0.245	C	C	.	.	H	α-helix	trans	-67.9	-39	178.7	-173.8	68.3	-175.3	75.9	-4	112.2	E296 V298 Y302 A318 L319 R320 G326	E296-R322 PolarHBondContact O-NH1 2.86Å; E296-R322 PolarHBondContact O-NH2 3.48Å; V298-R322 HydrophobicContact CG2-CB 4.28Å; V298-R322 HydrophobicContact CG2-CG 3.57Å; Y302-R322 HydrophobicContact CE1-CB 4.35Å; Y302-R322 HydrophobicContact CE1-CG 3.84Å; A318-R322 WeakPolarHBondContact O-CB 3.46Å; A318-R322 PolarHBondContact O-N 3.02Å; L319-R322 WeakPolarHBondContact O-CB 3.44Å; L319-R322 PolarHBondContact O-N 2.81Å; L319-R322 VanDerWaalsContact O-N 3.1Å; R320-R322 VanDerWaalsContact C-N 3.31Å; R320-R322 PolarHBondContact O-N 2.92Å; R322-G326 PolarHBondContact O-N 3.18Å; R322-G326 VanDerWaalsContact O-N 3.12Å
323	I	98.4	Very high	96.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.1	-46.6	173.6	-64.3	168.5	0	0	0	109.7	V298 W303 L319 R320 K325 G326 G327 L328 L340 E531 T535	V298-I323 HydrophobicContact CG2-CG1 4.05Å; W303-I323 HydrophobicContact CZ3-CD1 4.37Å; L319-I323 HydrophobicContact CG-CD1 4.19Å; L319-I323 VanDerWaalsContact O-CG1 3.27Å; L319-I323 WeakPolarHBondContact O-CG1 3.39Å; L319-I323 PolarHBondContact O-N 3.43Å; R320-I323 PolarHBondContact O-N 2.89Å; I323-K325 PolarHBondContact O-N 2.93Å; I323-G326 PolarHBondContact O-N 3.12Å; I323-G327 WeakPolarHBondContact O-CA 3.29Å; I323-G327 PolarHBondContact O-N 2.84Å; I323-L328 HydrophobicContact CD1-CD2 3.96Å; I323-L328 HydrophobicContact CG1-CD2 3.72Å; I323-L328 HydrophobicContact CG1-CG 4.45Å; I323-L328 HydrophobicContact CG2-CD2 4.44Å; I323-L328 HydrophobicContact CG2-CG 4.28Å; I323-L340 HydrophobicContact CD1-CD2 4.23Å; I323-L340 HydrophobicContact CG2-CD1 4.32Å; I323-E531 HydrophobicContact CG2-CB 4.36Å; I323-T535 HydrophobicContact CB-CG2 3.84Å; I323-T535 HydrophobicContact CG2-CG2 3.58Å
324	F	98.5	Very high	96.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-54.3	-42.9	176.9	170.8	-104.1	0	0	0	110.9	R294 R320 Q321 V532 T535 L537 P538 F542 E589	R294-F324 PolarHBondContact NH1-O 3.38Å; R294-F324 PolarHBondContact NH2-O 2.73Å; R320-F324 WeakPolarHBondContact O-CB 3.34Å; R320-F324 PolarHBondContact O-N 3.35Å; Q321-F324 PolarHBondContact O-N 3.47Å; F324-V532 HydrophobicContact CD2-CG1 3.53Å; F324-V532 HydrophobicContact CE2-CG1 3.76Å; F324-V532 HydrophobicContact CG-CG1 4.47Å; F324-T535 HydrophobicContact CB-CG2 4.13Å; F324-L537 HydrophobicContact CB-CB 4.06Å; F324-L537 HydrophobicContact CB-CD1 3.93Å; F324-L537 HydrophobicContact CD1-CB 4.37Å; F324-L537 HydrophobicContact CD2-CB 3.73Å; F324-L537 WeakPolarHBondContact CD2-O 3.31Å; F324-L537 HydrophobicContact CE2-CB 4.36Å; F324-L537 VanDerWaalsContact CE2-O 3.22Å; F324-L537 WeakPolarHBondContact CE2-O 3.12Å; F324-L537 HydrophobicContact CG-CB 3.77Å; F324-L537 HydrophobicContact CG-CD1 4.4Å; F324-P538 HydrophobicContact CE2-CG 4.39Å; F324-P538 HydrophobicContact CZ-CB 4.26Å; F324-P538 HydrophobicContact CZ-CG 3.96Å; F324-F542 HydrophobicContact CE2-CD1 4.41Å; F324-F542 AromaticContact CE2-CE1 4Å; F324-F542 HydrophobicContact CE2-CE1 4Å; F324-F542 HydrophobicContact CE2-CE2 4.42Å; F324-F542 AromaticContact CE2-CZ 4Å; F324-F542 HydrophobicContact CE2-CZ 4Å; F324-F542 HydrophobicContact CZ-CZ 4.32Å; F324-E589 HydrophobicContact CE1-CG 4.25Å; F324-E589 WeakPolarHBondContact CE1-OE2 3.31Å; F324-E589 HydrophobicContact CZ-CB 4.38Å; F324-E589 HydrophobicContact CZ-CG 4.09Å
325	K	97.8	Very high	96.7	Very high	45 Å²	45	45 Å²	45	20%	0.196	24%	0.239	C	C	.	.	H	α-helix	trans	-76.8	-27.9	-177.6	-73.9	-67.6	-170.9	176.6	0	115.3	R294 V295 Q321 I323 E589	R294-K325 WeakPolarHBondContact CB-O 3.23Å; R294-K325 PolarHBondContact NE-O 3.09Å; R294-K325 PolarHBondContact NH2-O 3.04Å; V295-K325 HydrophobicContact CG2-CB 3.61Å; V295-K325 PolarHBondContact N-O 2.88Å; V295-K325 VanDerWaalsContact N-O 3.13Å; Q321-K325 WeakPolarHBondContact O-CB 3.35Å; Q321-K325 VanDerWaalsContact O-CG 3.3Å; Q321-K325 WeakPolarHBondContact O-CG 3.42Å; Q321-K325 PolarHBondContact O-N 3.46Å; I323-K325 PolarHBondContact O-N 2.93Å; K325-E589 WeakPolarHBondContact CE-OE1 3.37Å; K325-E589 IonicContact NZ-OE1 3.69Å; K325-E589 PolarHBondContact NZ-OE1 3.25Å; K325-E589 IonicContact NZ-OE2 3.47Å; K325-E589 PolarHBondContact NZ-OE2 2.91Å
326	G	95.9	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-132.2	-17	-172.6	0	0	0	0	0	117.3	V295 P297 R322 I323 R528	V295-G326 WeakPolarHBondContact O-CA 3.39Å; P297-G326 WeakPolarHBondContact CA-O 3.34Å; R322-G326 PolarHBondContact O-N 3.18Å; R322-G326 VanDerWaalsContact O-N 3.12Å; I323-G326 PolarHBondContact O-N 3.12Å; G326-R528 PolarHBondContact O-NE 3.06Å; G326-R528 PolarHBondContact O-NH2 3.17Å
327	G	97.9	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.			trans	74.8	-165.7	-167.2	0	0	0	0	0	112.3	P297 V298 I323	P297-G327 WeakPolarHBondContact CA-O 3.44Å; V298-G327 PolarHBondContact N-O 3.48Å; I323-G327 WeakPolarHBondContact O-CA 3.29Å; I323-G327 PolarHBondContact O-N 2.84Å
328	L	98.4	Very high	97.4	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-115.2	145.5	-179.9	-61.5	170.1	0	0	0	111.5	V298 I323 V332 R333 A336 L340 E531	V298-L328 HydrophobicContact CB-CD2 3.93Å; V298-L328 HydrophobicContact CG1-CD2 4.39Å; V298-L328 HydrophobicContact CG2-CD2 4.36Å; I323-L328 HydrophobicContact CD1-CD2 3.96Å; I323-L328 HydrophobicContact CG1-CD2 3.72Å; I323-L328 HydrophobicContact CG1-CG 4.45Å; I323-L328 HydrophobicContact CG2-CD2 4.44Å; I323-L328 HydrophobicContact CG2-CG 4.28Å; L328-V332 HydrophobicContact CD2-CG1 4.41Å; L328-R333 HydrophobicContact CB-CG 4.15Å; L328-R333 PolarHBondContact O-NH2 3.2Å; L328-R333 VanDerWaalsContact O-NH2 3.12Å; L328-A336 HydrophobicContact CD1-CB 3.52Å; L328-A336 HydrophobicContact CD2-CB 4.13Å; L328-A336 HydrophobicContact CG-CB 4.5Å; L328-L340 HydrophobicContact CD1-CD1 4.12Å; L328-E531 HydrophobicContact CD1-CG 3.91Å; L328-E531 HydrophobicContact CG-CG 4.27Å; L328-E531 PolarHBondContact N-OE2 2.82Å
329	C	97.4	Very high	97.6	Very high	37 Å²	37	32.8 Å²	32.8	25%	0.25	16%	0.16	C	C	.	.			trans	-70.2	150.6	163.2	79.3	0	0	0	0	110.1	V298 A331 V332	V298-C329 WeakPolarHBondContact O-CB 3.39Å; V298-C329 PolarHBondContact O-N 3.18Å; V298-C329 PolarHBondContact O-SG 3.49Å; C329-A331 VanDerWaalsContact C-N 3.25Å; C329-A331 PolarHBondContact O-N 3.2Å; C329-A331 VanDerWaalsContact O-N 3.12Å; C329-V332 PolarHBondContact O-N 3.46Å; C329-V332 VanDerWaalsContact O-N 3.12Å
330	H	96.3	Very high	97.7	Very high	102 Å²	102	33.3 Å²	33.3	47%	0.472	16%	0.163	S	C	.	.	H	α-helix	trans	-55.1	-37.2	-174.2	-174.9	44.9	0	0	0	114.1	V332 R333 F446	H330-V332 PolarHBondContact O-N 2.87Å; H330-R333 PolarHBondContact O-N 3.31Å; H330-F446 AromaticContact CE1-CE1 3.97Å
331	A	96.1	Very high	97.8	Very high	86 Å²	86	31.1 Å²	31.1	71%	0.711	16%	0.155	S	C	*	.	H	α-helix	trans	-61.2	-25.7	-177.7	0	0	0	0	0	114.2	C329	C329-A331 VanDerWaalsContact C-N 3.25Å; C329-A331 PolarHBondContact O-N 3.2Å; C329-A331 VanDerWaalsContact O-N 3.12Å
332	V	97.4	Very high	97.8	Very high	8 Å²	8	29.7 Å²	29.7	5%	0.048	16%	0.162	C	C	.	.	H	α-helix	trans	-97.8	-18.4	-176.2	178	0	0	0	0	112	A300 W303 L328 C329 H330 R334 E335 A336	A300-V332 VanDerWaalsContact CA-CG2 3.47Å; A300-V332 HydrophobicContact CB-CG2 3.95Å; W303-V332 HydrophobicContact CB-CG1 3.88Å; W303-V332 HydrophobicContact CB-CG2 4.05Å; W303-V332 HydrophobicContact CD2-CG1 3.43Å; W303-V332 VanDerWaalsContact CD2-CG1 3.43Å; W303-V332 HydrophobicContact CE3-CG1 3.77Å; W303-V332 HydrophobicContact CG-CG1 3.45Å; W303-V332 VanDerWaalsContact CG-CG1 3.45Å; W303-V332 HydrophobicContact CG-CG2 4.32Å; L328-V332 HydrophobicContact CD2-CG1 4.41Å; C329-V332 PolarHBondContact O-N 3.46Å; C329-V332 VanDerWaalsContact O-N 3.12Å; H330-V332 PolarHBondContact O-N 2.87Å; V332-R334 VanDerWaalsContact C-N 3.31Å; V332-R334 PolarHBondContact O-N 2.84Å; V332-E335 PolarHBondContact O-N 2.94Å; V332-E335 VanDerWaalsContact O-N 3.09Å; V332-A336 HydrophobicContact CG1-CB 3.83Å; V332-A336 WeakPolarHBondContact O-CB 3.35Å; V332-A336 PolarHBondContact O-N 2.93Å
333	R	98.4	Very high	97.8	Very high	30 Å²	30	27.5 Å²	27.5	11%	0.113	15%	0.154	C	C	.	.	H	α-helix	trans	-51.8	-47.1	-173	-70.4	-172.9	172.2	124.6	4.8	113	L328 H330 E335 A336 W337 V447 E531	L328-R333 HydrophobicContact CB-CG 4.15Å; L328-R333 PolarHBondContact O-NH2 3.2Å; L328-R333 VanDerWaalsContact O-NH2 3.12Å; H330-R333 PolarHBondContact O-N 3.31Å; R333-E335 PolarHBondContact O-N 3.07Å; R333-A336 PolarHBondContact O-N 3.27Å; R333-W337 WeakPolarHBondContact O-CB 3.31Å; R333-W337 VanDerWaalsContact O-CD1 3.25Å; R333-W337 VanDerWaalsContact O-CG 3.26Å; R333-W337 PolarHBondContact O-N 2.93Å; R333-V447 HydrophobicContact CB-CG1 3.67Å; R333-V447 HydrophobicContact CB-CG2 4.44Å; R333-E531 WeakPolarHBondContact CD-OE1 3.35Å; R333-E531 VanDerWaalsContact CG-OE1 3.25Å; R333-E531 WeakPolarHBondContact CG-OE1 3.39Å; R333-E531 IonicContact CZ-OE1 2.68Å; R333-E531 IonicContact NE-OE1 3.71Å; R333-E531 PolarHBondContact NE-OE1 3.32Å; R333-E531 IonicContact NH2-OE1 3.79Å
334	R	97.9	Very high	97.8	Very high	113 Å²	113	27.9 Å²	27.9	43%	0.426	16%	0.156	S	C	.	.	H	α-helix	trans	-57	-37.2	-177.2	-171.5	-178.4	-57.7	176.6	5.4	113.2	V332 K338 V447 E449	V332-R334 VanDerWaalsContact C-N 3.31Å; V332-R334 PolarHBondContact O-N 2.84Å; R334-K338 WeakPolarHBondContact O-CE 3.26Å; R334-K338 WeakPolarHBondContact O-CG 3.24Å; R334-V447 PolarHBondContact NE-O 2.87Å; R334-E449 IonicContact CZ-OE2 3.66Å; R334-E449 IonicContact NH1-OE2 3.66Å; R334-E449 IonicContact NH2-OE1 2.85Å; R334-E449 PolarHBondContact NH2-OE1 3.46Å; R334-E449 IonicContact NH2-OE2 2.69Å; R334-E449 PolarHBondContact NH2-OE2 2.91Å
335	E	97.3	Very high	97.7	Very high	59 Å²	59	31 Å²	31	28%	0.276	18%	0.175	S	C	.	.	H	α-helix	trans	-84.9	-51.1	177.1	-173.2	-179.1	-166.6	0	0	111.1	W303 Q307 V332 R333 W337 K338 F339 R353	W303-E335 HydrophobicContact CZ2-CG 4.26Å; W303-E335 PolarHBondContact NE1-OE2 3.15Å; Q307-E335 PolarHBondContact NE2-OE1 3.46Å; Q307-E335 VanDerWaalsContact NE2-OE1 3.14Å; Q307-E335 PolarHBondContact NE2-OE2 2.65Å; V332-E335 PolarHBondContact O-N 2.94Å; V332-E335 VanDerWaalsContact O-N 3.09Å; R333-E335 PolarHBondContact O-N 3.07Å; E335-W337 VanDerWaalsContact C-N 3.34Å; E335-W337 PolarHBondContact O-N 3Å; E335-K338 WeakPolarHBondContact O-CB 3.49Å; E335-K338 PolarHBondContact O-N 3.17Å; E335-K338 VanDerWaalsContact O-N 3.13Å; E335-F339 HydrophobicContact CG-CD2 4.48Å; E335-F339 HydrophobicContact CG-CE2 4Å; E335-F339 WeakPolarHBondContact O-CD2 3.43Å; E335-R353 IonicContact OE1-CZ 3.57Å; E335-R353 IonicContact OE1-NH1 2.96Å; E335-R353 PolarHBondContact OE1-NH1 2.83Å; E335-R353 IonicContact OE1-NH2 2.74Å
336	A	98.2	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-34.6	-173.4	0	0	0	0	0	113.5	W303 L328 V332 R333 K338 F339 L340	W303-A336 HydrophobicContact CE3-CB 4.16Å; W303-A336 HydrophobicContact CH2-CB 3.44Å; W303-A336 VanDerWaalsContact CH2-CB 3.44Å; W303-A336 HydrophobicContact CZ2-CB 3.89Å; W303-A336 HydrophobicContact CZ3-CB 3.56Å; L328-A336 HydrophobicContact CD1-CB 3.52Å; L328-A336 HydrophobicContact CD2-CB 4.13Å; L328-A336 HydrophobicContact CG-CB 4.5Å; V332-A336 HydrophobicContact CG1-CB 3.83Å; V332-A336 WeakPolarHBondContact O-CB 3.35Å; V332-A336 PolarHBondContact O-N 2.93Å; R333-A336 PolarHBondContact O-N 3.27Å; A336-K338 PolarHBondContact O-N 2.76Å; A336-F339 WeakPolarHBondContact O-CB 3.23Å; A336-F339 PolarHBondContact O-N 3.22Å; A336-F339 VanDerWaalsContact O-N 3.08Å; A336-L340 WeakPolarHBondContact O-CG 3.48Å; A336-L340 PolarHBondContact O-N 2.69Å
337	W	98.8	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-31.6	176.7	-78.1	28.9	0	0	0	112.1	R333 E335 F339 L340 L341 I444 V447 M448 L527 W530 E531 W534	R333-W337 WeakPolarHBondContact O-CB 3.31Å; R333-W337 VanDerWaalsContact O-CD1 3.25Å; R333-W337 VanDerWaalsContact O-CG 3.26Å; R333-W337 PolarHBondContact O-N 2.93Å; E335-W337 VanDerWaalsContact C-N 3.34Å; E335-W337 PolarHBondContact O-N 3Å; W337-F339 PolarHBondContact O-N 2.62Å; W337-L340 PolarHBondContact O-N 2.65Å; W337-L341 VanDerWaalsContact O-CB 3.25Å; W337-L341 WeakPolarHBondContact O-CB 3.42Å; W337-L341 PolarHBondContact O-N 3.35Å; W337-I444 HydrophobicContact CE3-CG1 4.49Å; W337-I444 HydrophobicContact CZ3-CG1 4.07Å; W337-V447 HydrophobicContact CD2-CB 4.31Å; W337-V447 HydrophobicContact CD2-CG1 3.86Å; W337-V447 HydrophobicContact CD2-CG2 4.26Å; W337-V447 HydrophobicContact CE3-CB 3.9Å; W337-V447 HydrophobicContact CE3-CG1 3.89Å; W337-V447 HydrophobicContact CE3-CG2 4Å; W337-V447 HydrophobicContact CG-CG1 4.16Å; W337-V447 HydrophobicContact CH2-CG2 3.88Å; W337-V447 HydrophobicContact CZ2-CG2 4.09Å; W337-V447 HydrophobicContact CZ3-CB 4.08Å; W337-V447 HydrophobicContact CZ3-CG2 3.8Å; W337-M448 HydrophobicContact CB-CE 3.43Å; W337-M448 VanDerWaalsContact CB-CE 3.43Å; W337-M448 HydrophobicContact CE3-CE 4.44Å; W337-M448 HydrophobicContact CG-CE 4.46Å; W337-L527 HydrophobicContact CH2-CB 4.33Å; W337-L527 HydrophobicContact CH2-CD2 3.43Å; W337-L527 VanDerWaalsContact CH2-CD2 3.43Å; W337-L527 HydrophobicContact CH2-CG 4.45Å; W337-L527 HydrophobicContact CZ2-CB 3.93Å; W337-L527 HydrophobicContact CZ2-CD2 3.85Å; W337-L527 HydrophobicContact CZ2-CG 4.44Å; W337-L527 HydrophobicContact CZ3-CD2 4.39Å; W337-W530 HydrophobicContact CH2-CE3 4.33Å; W337-E531 HydrophobicContact CZ2-CG 4.09Å; W337-E531 PolarHBondContact NE1-OE1 3Å; W337-W534 HydrophobicContact CD2-CH2 4.39Å; W337-W534 AromaticContact CD2-CZ3 3.63Å; W337-W534 HydrophobicContact CD2-CZ3 3.63Å; W337-W534 AromaticContact CE2-CZ3 3.8Å; W337-W534 AromaticContact CE3-CH2 3.9Å; W337-W534 HydrophobicContact CE3-CH2 3.9Å; W337-W534 AromaticContact CE3-CZ3 3.6Å; W337-W534 HydrophobicContact CE3-CZ3 3.6Å; W337-W534 HydrophobicContact CG-CZ3 4.21Å; W337-W534 AromaticContact CH2-CH2 3.94Å; W337-W534 HydrophobicContact CH2-CH2 3.94Å; W337-W534 AromaticContact CH2-CZ3 3.84Å; W337-W534 HydrophobicContact CH2-CZ3 3.84Å; W337-W534 HydrophobicContact CZ2-CH2 4.46Å; W337-W534 AromaticContact CZ2-CZ3 3.91Å; W337-W534 HydrophobicContact CZ2-CZ3 3.91Å; W337-W534 AromaticContact CZ3-CH2 3.67Å; W337-W534 HydrophobicContact CZ3-CH2 3.67Å; W337-W534 AromaticContact CZ3-CZ3 3.72Å; W337-W534 HydrophobicContact CZ3-CZ3 3.72Å
338	K	98.6	Very high	97.6	Very high	17 Å²	17	35.6 Å²	35.6	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-31.7	176.1	-58.7	-178.8	176.3	-176	0	111.5	R334 E335 A336 G342 Y343 Y344 M448 D453	R334-K338 WeakPolarHBondContact O-CE 3.26Å; R334-K338 WeakPolarHBondContact O-CG 3.24Å; E335-K338 WeakPolarHBondContact O-CB 3.49Å; E335-K338 PolarHBondContact O-N 3.17Å; E335-K338 VanDerWaalsContact O-N 3.13Å; A336-K338 PolarHBondContact O-N 2.76Å; K338-G342 PolarHBondContact O-N 3.26Å; K338-Y343 HydrophobicContact CB-CD1 3.88Å; K338-Y343 HydrophobicContact CD-CD1 3.93Å; K338-Y343 HydrophobicContact CD-CE1 4.04Å; K338-Y343 HydrophobicContact CG-CD1 3.82Å; K338-Y343 HydrophobicContact CG-CE1 4.4Å; K338-Y343 CarbonylContact O-C 3.6Å; K338-Y343 WeakPolarHBondContact O-CA 3.27Å; K338-Y343 WeakPolarHBondContact O-CB 3.48Å; K338-Y343 PolarHBondContact O-N 3.27Å; K338-Y344 HydrophobicContact CB-CD2 3.58Å; K338-Y344 HydrophobicContact CB-CE2 3.82Å; K338-Y344 HydrophobicContact CB-CG 3.96Å; K338-Y344 HydrophobicContact CD-CD2 4Å; K338-Y344 HydrophobicContact CD-CE1 4.31Å; K338-Y344 HydrophobicContact CD-CE2 3.3Å; K338-Y344 VanDerWaalsContact CD-CZ 3.44Å; K338-Y344 WeakPolarHBondContact CD-OH 3.4Å; K338-Y344 HydrophobicContact CG-CD2 4.45Å; K338-Y344 HydrophobicContact CG-CE2 4.2Å; K338-Y344 PolarHBondContact NZ-OH 3.48Å; K338-Y344 VanDerWaalsContact NZ-OH 3.12Å; K338-Y344 PolarHBondContact O-N 3.02Å; K338-M448 HydrophobicContact CD-SD 4.37Å; K338-M448 HydrophobicContact CG-CE 3.83Å; K338-M448 HydrophobicContact CG-SD 3.84Å; K338-D453 WeakPolarHBondContact CE-OD2 3.26Å; K338-D453 IonicContact NZ-OD1 2.8Å; K338-D453 IonicContact NZ-OD2 3.47Å; K338-D453 PolarHBondContact NZ-OD2 3.21Å
339	F	98.4	Very high	97.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-78.1	-46.2	173.3	-69.7	-82.8	0	0	0	112.3	W303 I313 E335 A336 W337 L341 G342 Y344 P345 W346 R353	W303-F339 HydrophobicContact CH2-CD2 4.05Å; W303-F339 AromaticContact CZ2-CD2 3.92Å; W303-F339 HydrophobicContact CZ2-CD2 3.92Å; W303-F339 HydrophobicContact CZ2-CE2 4.01Å; I313-F339 HydrophobicContact CD1-CE2 4.4Å; I313-F339 HydrophobicContact CD1-CZ 4.28Å; I313-F339 HydrophobicContact CG1-CD1 4.32Å; I313-F339 HydrophobicContact CG1-CE1 3.87Å; I313-F339 HydrophobicContact CG1-CE2 4.37Å; I313-F339 HydrophobicContact CG1-CZ 3.88Å; E335-F339 HydrophobicContact CG-CD2 4.48Å; E335-F339 HydrophobicContact CG-CE2 4Å; E335-F339 WeakPolarHBondContact O-CD2 3.43Å; A336-F339 WeakPolarHBondContact O-CB 3.23Å; A336-F339 PolarHBondContact O-N 3.22Å; A336-F339 VanDerWaalsContact O-N 3.08Å; W337-F339 PolarHBondContact O-N 2.62Å; F339-L341 VanDerWaalsContact C-N 3.26Å; F339-L341 PolarHBondContact O-N 3.17Å; F339-G342 PolarHBondContact O-N 2.85Å; F339-Y344 WeakPolarHBondContact CD1-O 3.39Å; F339-Y344 HydrophobicContact CD2-CD2 4.38Å; F339-Y344 HydrophobicContact CE2-CD2 4.06Å; F339-Y344 HydrophobicContact CZ-CD2 4.23Å; F339-P345 WeakPolarHBondContact CE1-O 3.48Å; F339-W346 HydrophobicContact CB-CD2 3.93Å; F339-W346 HydrophobicContact CB-CE3 3.8Å; F339-W346 HydrophobicContact CB-CH2 3.54Å; F339-W346 HydrophobicContact CB-CZ2 3.66Å; F339-W346 HydrophobicContact CB-CZ3 3.61Å; F339-W346 HydrophobicContact CD1-CD2 4.06Å; F339-W346 AromaticContact CD1-CE3 3.91Å; F339-W346 HydrophobicContact CD1-CE3 3.91Å; F339-W346 HydrophobicContact CD1-CG 4.4Å; F339-W346 HydrophobicContact CD1-CZ3 4.43Å; F339-W346 HydrophobicContact CG-CD2 4.39Å; F339-W346 HydrophobicContact CG-CE3 4.06Å; F339-W346 HydrophobicContact CG-CZ3 4.12Å; F339-W346 PolarHBondContact O-NE1 3.34Å; F339-R353 VanDerWaalsContact CZ-NH1 3.34Å
340	L	98.5	Very high	97.6	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-36.3	178.9	-70.2	171.7	0	0	0	112.4	I323 L328 A336 W337 G342 W346 W534 T535	I323-L340 HydrophobicContact CD1-CD2 4.23Å; I323-L340 HydrophobicContact CG2-CD1 4.32Å; L328-L340 HydrophobicContact CD1-CD1 4.12Å; A336-L340 WeakPolarHBondContact O-CG 3.48Å; A336-L340 PolarHBondContact O-N 2.69Å; W337-L340 PolarHBondContact O-N 2.65Å; L340-G342 VanDerWaalsContact C-N 3.3Å; L340-W346 HydrophobicContact CD2-CH2 4.07Å; L340-W346 HydrophobicContact CD2-CZ2 4.03Å; L340-W346 HydrophobicContact CG-CH2 4.38Å; L340-W346 HydrophobicContact CG-CZ2 4.44Å; L340-W534 HydrophobicContact CB-CB 3.96Å; L340-T535 HydrophobicContact CD2-CG2 4.18Å
341	L	98.4	Very high	97.7	Very high	3 Å²	3	40 Å²	40	2%	0.016	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	10	176.4	-69.3	169.4	0	0	0	112.9	W337 F339 Y343 I444 C457 S460 F461 W534	W337-L341 VanDerWaalsContact O-CB 3.25Å; W337-L341 WeakPolarHBondContact O-CB 3.42Å; W337-L341 PolarHBondContact O-N 3.35Å; F339-L341 VanDerWaalsContact C-N 3.26Å; F339-L341 PolarHBondContact O-N 3.17Å; L341-Y343 PolarHBondContact O-N 3.12Å; L341-I444 HydrophobicContact CD1-CD1 4.24Å; L341-I444 HydrophobicContact CD1-CG1 4.47Å; L341-C457 HydrophobicContact CB-CB 4.45Å; L341-C457 HydrophobicContact CD1-CB 3.66Å; L341-S460 WeakPolarHBondContact O-CB 3.38Å; L341-S460 PolarHBondContact O-OG 3.4Å; L341-F461 HydrophobicContact CD2-CB 3.98Å; L341-F461 HydrophobicContact CD2-CG 4.48Å; L341-W534 HydrophobicContact CD1-CE3 4.39Å; L341-W534 HydrophobicContact CD1-CH2 3.84Å; L341-W534 HydrophobicContact CD1-CZ2 4.23Å; L341-W534 HydrophobicContact CD1-CZ3 3.94Å; L341-W534 HydrophobicContact CD2-CD2 3.67Å; L341-W534 VanDerWaalsContact CD2-CE2 3.43Å; L341-W534 HydrophobicContact CD2-CE3 4.11Å; L341-W534 HydrophobicContact CD2-CG 4.1Å; L341-W534 HydrophobicContact CD2-CH2 4.09Å; L341-W534 HydrophobicContact CD2-CZ2 3.67Å; L341-W534 HydrophobicContact CD2-CZ3 4.3Å; L341-W534 HydrophobicContact CG-CD2 4.12Å; L341-W534 HydrophobicContact CG-CE3 4.06Å; L341-W534 HydrophobicContact CG-CH2 4.25Å; L341-W534 HydrophobicContact CG-CZ2 4.33Å; L341-W534 HydrophobicContact CG-CZ3 4.12Å
342	G	97.3	Very high	97.8	Very high	52 Å²	52	41.2 Å²	41.2	54%	0.536	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	5.4	174.4	0	0	0	0	0	116	K338 F339 L340 Y344	K338-G342 PolarHBondContact O-N 3.26Å; F339-G342 PolarHBondContact O-N 2.85Å; L340-G342 VanDerWaalsContact C-N 3.3Å; G342-Y344 VanDerWaalsContact C-N 3.34Å
343	Y	97.9	Very high	97.8	Very high	12 Å²	12	41.1 Å²	41.1	5%	0.047	22%	0.216	C	C	.	.	S	Bend	trans	-64.7	-39.7	173.4	174	-144	0	0	0	111.5	K338 L341 L356 K360 D453 W456	K338-Y343 HydrophobicContact CB-CD1 3.88Å; K338-Y343 HydrophobicContact CD-CD1 3.93Å; K338-Y343 HydrophobicContact CD-CE1 4.04Å; K338-Y343 HydrophobicContact CG-CD1 3.82Å; K338-Y343 HydrophobicContact CG-CE1 4.4Å; K338-Y343 CarbonylContact O-C 3.6Å; K338-Y343 WeakPolarHBondContact O-CA 3.27Å; K338-Y343 WeakPolarHBondContact O-CB 3.48Å; K338-Y343 PolarHBondContact O-N 3.27Å; L341-Y343 PolarHBondContact O-N 3.12Å; Y343-L356 WeakPolarHBondContact O-CD2 3.44Å; Y343-K360 HydrophobicContact CE2-CB 4.15Å; Y343-K360 HydrophobicContact CE2-CD 4.47Å; Y343-K360 HydrophobicContact CE2-CG 4Å; Y343-D453 HydrophobicContact CE1-CB 4.16Å; Y343-D453 WeakPolarHBondContact CE1-OD1 3.3Å; Y343-D453 PolarHBondContact OH-OD1 3.39Å; Y343-W456 HydrophobicContact CD2-CB 3.73Å; Y343-W456 HydrophobicContact CD2-CG 4.39Å; Y343-W456 HydrophobicContact CE2-CB 3.81Å; Y343-W456 HydrophobicContact CE2-CG 4.1Å; Y343-W456 HydrophobicContact CG-CB 4.16Å
344	Y	98.1	Very high	97.8	Very high	8 Å²	8	44.7 Å²	44.7	3%	0.031	23%	0.232	C	C	.	.	S	Bend	trans	-104.9	126.2	168.4	-67.3	-16.5	0	0	0	110.7	K338 F339 G342 W346 R353 L356 Q357	K338-Y344 HydrophobicContact CB-CD2 3.58Å; K338-Y344 HydrophobicContact CB-CE2 3.82Å; K338-Y344 HydrophobicContact CB-CG 3.96Å; K338-Y344 HydrophobicContact CD-CD2 4Å; K338-Y344 HydrophobicContact CD-CE1 4.31Å; K338-Y344 HydrophobicContact CD-CE2 3.3Å; K338-Y344 VanDerWaalsContact CD-CZ 3.44Å; K338-Y344 WeakPolarHBondContact CD-OH 3.4Å; K338-Y344 HydrophobicContact CG-CD2 4.45Å; K338-Y344 HydrophobicContact CG-CE2 4.2Å; K338-Y344 PolarHBondContact NZ-OH 3.48Å; K338-Y344 VanDerWaalsContact NZ-OH 3.12Å; K338-Y344 PolarHBondContact O-N 3.02Å; F339-Y344 WeakPolarHBondContact CD1-O 3.39Å; F339-Y344 HydrophobicContact CD2-CD2 4.38Å; F339-Y344 HydrophobicContact CE2-CD2 4.06Å; F339-Y344 HydrophobicContact CZ-CD2 4.23Å; G342-Y344 VanDerWaalsContact C-N 3.34Å; Y344-W346 PolarHBondContact O-N 3.35Å; Y344-R353 HydrophobicContact CD1-CB 4.47Å; Y344-R353 HydrophobicContact CD1-CG 4.08Å; Y344-R353 HydrophobicContact CD2-CG 4.23Å; Y344-R353 HydrophobicContact CE1-CB 4.4Å; Y344-R353 HydrophobicContact CE1-CG 4.48Å; Y344-R353 HydrophobicContact CG-CG 3.98Å; Y344-L356 HydrophobicContact CD1-CD2 4.24Å; Y344-Q357 HydrophobicContact CE1-CG 4.04Å; Y344-Q357 WeakPolarHBondContact OH-CG 3.46Å; Y344-Q357 PolarHBondContact OH-NE2 2.85Å
345	P	97.3	Very high	97.8	Very high	64 Å²	64	42.9 Å²	42.9	42%	0.416	24%	0.237	S	C	.	.			trans	-63.2	135.6	168.5	-18.7	30.8	0	0	0	110.6	F339 T347 S348	F339-P345 WeakPolarHBondContact CE1-O 3.48Å; P345-T347 PolarHBondContact O-N 3.07Å; P345-S348 WeakPolarHBondContact O-CB 3.17Å; P345-S348 PolarHBondContact O-N 3.15Å; P345-S348 PolarHBondContact O-OG 2.85Å
346	W	96.2	Very high	97.8	Very high	24 Å²	24	42.3 Å²	42.3	9%	0.091	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.6	179.8	-65.7	97.7	0	0	0	113.9	W303 I313 E316 L319 R320 F339 L340 Y344 S348	W303-W346 HydrophobicContact CH2-CZ3 4.36Å; I313-W346 HydrophobicContact CB-CE3 4.13Å; I313-W346 HydrophobicContact CG1-CE3 4.04Å; I313-W346 HydrophobicContact CG1-CZ3 4.49Å; I313-W346 HydrophobicContact CG2-CE3 3.96Å; I313-W346 HydrophobicContact CG2-CZ3 4.29Å; I313-W346 PolarHBondContact N-O 3.49Å; E316-W346 VanDerWaalsContact CD-CD1 3.4Å; E316-W346 HydrophobicContact CG-CB 4.14Å; E316-W346 HydrophobicContact CG-CD2 3.67Å; E316-W346 HydrophobicContact CG-CE3 3.89Å; E316-W346 HydrophobicContact CG-CG 3.8Å; E316-W346 PolarHBondContact OE1-NE1 3.05Å; E316-W346 WeakPolarHBondContact OE2-CB 3.42Å; L319-W346 HydrophobicContact CD2-CZ3 4.26Å; R320-W346 HydrophobicContact CG-CZ2 4.46Å; F339-W346 HydrophobicContact CB-CD2 3.93Å; F339-W346 HydrophobicContact CB-CE3 3.8Å; F339-W346 HydrophobicContact CB-CH2 3.54Å; F339-W346 HydrophobicContact CB-CZ2 3.66Å; F339-W346 HydrophobicContact CB-CZ3 3.61Å; F339-W346 HydrophobicContact CD1-CD2 4.06Å; F339-W346 AromaticContact CD1-CE3 3.91Å; F339-W346 HydrophobicContact CD1-CE3 3.91Å; F339-W346 HydrophobicContact CD1-CG 4.4Å; F339-W346 HydrophobicContact CD1-CZ3 4.43Å; F339-W346 HydrophobicContact CG-CD2 4.39Å; F339-W346 HydrophobicContact CG-CE3 4.06Å; F339-W346 HydrophobicContact CG-CZ3 4.12Å; F339-W346 PolarHBondContact O-NE1 3.34Å; L340-W346 HydrophobicContact CD2-CH2 4.07Å; L340-W346 HydrophobicContact CD2-CZ2 4.03Å; L340-W346 HydrophobicContact CG-CH2 4.38Å; L340-W346 HydrophobicContact CG-CZ2 4.44Å; Y344-W346 PolarHBondContact O-N 3.35Å; W346-S348 VanDerWaalsContact C-N 3.34Å
347	T	96.2	Very high	97.8	Very high	111 Å²	111	45.2 Å²	45.2	68%	0.681	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.1	179	54.8	0	0	0	0	114	R312 P345	R312-T347 VanDerWaalsContact CD-O 3.3Å; R312-T347 WeakPolarHBondContact CD-O 3.49Å; R312-T347 WeakPolarHBondContact CG-O 3.37Å; P345-T347 PolarHBondContact O-N 3.07Å
348	S	97.6	Very high	97.8	Very high	8 Å²	8	52.2 Å²	52.2	6%	0.056	28%	0.279	C	S	.	.			trans	-76.6	140	-174.6	65.3	0	0	0	0	113.1	P345 W346 E352 R353	P345-S348 WeakPolarHBondContact O-CB 3.17Å; P345-S348 PolarHBondContact O-N 3.15Å; P345-S348 PolarHBondContact O-OG 2.85Å; W346-S348 VanDerWaalsContact C-N 3.34Å; S348-E352 WeakPolarHBondContact CA-OE2 3.41Å; S348-R353 WeakPolarHBondContact OG-CG 3.3Å
349	T	98.1	Very high	97.8	Very high	21 Å²	21	55.2 Å²	55.2	13%	0.129	30%	0.299	C	S	.	.			trans	-75.5	165.3	172.5	61.8	0	0	0	0	111.4	E310 R312 E351 E352 R353	E310-T349 HydrophobicContact CB-CG2 4.06Å; R312-T349 HydrophobicContact CG-CG2 3.74Å; T349-E351 VanDerWaalsContact C-N 3.25Å; T349-E351 PolarHBondContact O-N 3.49Å; T349-E352 PolarHBondContact N-OE2 3.06Å; T349-E352 PolarHBondContact O-N 3.5Å; T349-E352 WeakPolarHBondContact OG1-CB 3.45Å; T349-E352 VanDerWaalsContact OG1-CD 3.31Å; T349-E352 VanDerWaalsContact OG1-CG 3.27Å; T349-E352 WeakPolarHBondContact OG1-CG 3.42Å; T349-E352 PolarHBondContact OG1-N 3.41Å; T349-E352 PolarHBondContact OG1-OE2 2.96Å; T349-R353 WeakPolarHBondContact O-CG 3.43Å; T349-R353 PolarHBondContact O-N 2.66Å
350	L	97	Very high	97.8	Very high	86 Å²	86	57.3 Å²	57.3	45%	0.45	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-36.2	174.9	-175.9	64.2	0	0	0	112.5	E310 R353 K354	E310-L350 PolarHBondContact O-N 3.29Å; L350-R353 PolarHBondContact O-N 3.16Å; L350-K354 WeakPolarHBondContact O-CG 3.37Å; L350-K354 PolarHBondContact O-N 3.45Å; L350-K354 VanDerWaalsContact O-N 3.08Å
351	E	97.8	Very high	97.8	Very high	127 Å²	127	58.9 Å²	58.9	59%	0.593	32%	0.319	S	S	*	.	H	α-helix	trans	-72.3	-42	-179.4	-168.2	58.1	-152.9	0	0	111.9	T349 R353 K354 S355	T349-E351 VanDerWaalsContact C-N 3.25Å; T349-E351 PolarHBondContact O-N 3.49Å; E351-R353 VanDerWaalsContact C-N 3.3Å; E351-R353 PolarHBondContact O-N 3.16Å; E351-K354 PolarHBondContact O-N 2.94Å; E351-K354 IonicContact OE2-NZ 3.82Å; E351-S355 PolarHBondContact O-N 3.41Å
352	E	98.3	Very high	97.8	Very high	110 Å²	110	63.6 Å²	63.6	51%	0.514	34%	0.344	S	S	.	.	H	α-helix	trans	-60.2	-41.6	172.4	-72.1	164.9	151.2	0	0	111.2	S348 T349 K354 S355 L356	S348-E352 WeakPolarHBondContact CA-OE2 3.41Å; T349-E352 PolarHBondContact N-OE2 3.06Å; T349-E352 PolarHBondContact O-N 3.5Å; T349-E352 WeakPolarHBondContact OG1-CB 3.45Å; T349-E352 VanDerWaalsContact OG1-CD 3.31Å; T349-E352 VanDerWaalsContact OG1-CG 3.27Å; T349-E352 WeakPolarHBondContact OG1-CG 3.42Å; T349-E352 PolarHBondContact OG1-N 3.41Å; T349-E352 PolarHBondContact OG1-OE2 2.96Å; E352-K354 VanDerWaalsContact C-N 3.34Å; E352-K354 PolarHBondContact O-N 3.09Å; E352-S355 PolarHBondContact O-N 3Å; E352-L356 WeakPolarHBondContact O-CB 3.19Å; E352-L356 PolarHBondContact O-N 3.38Å
353	R	98.3	Very high	97.9	Very high	7 Å²	7	63.4 Å²	63.4	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-63.2	-36.5	176.3	-72.2	-171.9	-76.8	157	-6.2	112.7	G311 E335 F339 Y344 S348 T349 L350 E351 Q357	G311-R353 PolarHBondContact O-NH2 3.38Å; E335-R353 IonicContact OE1-CZ 3.57Å; E335-R353 IonicContact OE1-NH1 2.96Å; E335-R353 PolarHBondContact OE1-NH1 2.83Å; E335-R353 IonicContact OE1-NH2 2.74Å; F339-R353 VanDerWaalsContact CZ-NH1 3.34Å; Y344-R353 HydrophobicContact CD1-CB 4.47Å; Y344-R353 HydrophobicContact CD1-CG 4.08Å; Y344-R353 HydrophobicContact CD2-CG 4.23Å; Y344-R353 HydrophobicContact CE1-CB 4.4Å; Y344-R353 HydrophobicContact CE1-CG 4.48Å; Y344-R353 HydrophobicContact CG-CG 3.98Å; S348-R353 WeakPolarHBondContact OG-CG 3.3Å; T349-R353 WeakPolarHBondContact O-CG 3.43Å; T349-R353 PolarHBondContact O-N 2.66Å; L350-R353 PolarHBondContact O-N 3.16Å; E351-R353 VanDerWaalsContact C-N 3.3Å; E351-R353 PolarHBondContact O-N 3.16Å; R353-Q357 WeakPolarHBondContact O-CB 3.28Å; R353-Q357 VanDerWaalsContact O-CG 3.29Å; R353-Q357 WeakPolarHBondContact O-CG 3.25Å; R353-Q357 PolarHBondContact O-N 3.33Å; R353-Q357 PolarHBondContact O-NE2 2.98Å; R353-Q357 VanDerWaalsContact O-NE2 3.09Å
354	K	97.6	Very high	97.9	Very high	105 Å²	105	62.9 Å²	62.9	46%	0.457	33%	0.327	S	S	.	.	H	α-helix	trans	-67.1	-44.5	173.8	-73.1	173	-171.8	166.6	0	111.8	L350 E351 E352 L356 Q357 K358	L350-K354 WeakPolarHBondContact O-CG 3.37Å; L350-K354 PolarHBondContact O-N 3.45Å; L350-K354 VanDerWaalsContact O-N 3.08Å; E351-K354 PolarHBondContact O-N 2.94Å; E351-K354 IonicContact OE2-NZ 3.82Å; E352-K354 VanDerWaalsContact C-N 3.34Å; E352-K354 PolarHBondContact O-N 3.09Å; K354-L356 VanDerWaalsContact C-N 3.33Å; K354-L356 PolarHBondContact O-N 3.5Å; K354-Q357 PolarHBondContact O-N 3.06Å; K354-K358 PolarHBondContact O-N 3.27Å; K354-K358 VanDerWaalsContact O-N 3.14Å
355	S	98.3	Very high	98	Very high	74 Å²	74	67.2 Å²	67.2	52%	0.517	35%	0.346	S	S	.	.	H	α-helix	trans	-61.4	-44	176.3	-173.8	0	0	0	0	111.2	E351 E352 K358 T359	E351-S355 PolarHBondContact O-N 3.41Å; E352-S355 PolarHBondContact O-N 3Å; S355-K358 WeakPolarHBondContact O-CB 3.35Å; S355-K358 PolarHBondContact O-N 3.48Å; S355-T359 PolarHBondContact O-N 3.3Å; S355-T359 VanDerWaalsContact O-N 3.13Å; S355-T359 PolarHBondContact O-OG1 3.35Å
356	L	98.1	Very high	98	Very high	48 Å²	48	70.9 Å²	70.9	25%	0.251	35%	0.352	S	S	.	.	H	α-helix	trans	-60	-47.6	177.1	179.3	60.9	0	0	0	111.7	Y343 Y344 E352 K354 K358 T359 K360	Y343-L356 WeakPolarHBondContact O-CD2 3.44Å; Y344-L356 HydrophobicContact CD1-CD2 4.24Å; E352-L356 WeakPolarHBondContact O-CB 3.19Å; E352-L356 PolarHBondContact O-N 3.38Å; K354-L356 VanDerWaalsContact C-N 3.33Å; K354-L356 PolarHBondContact O-N 3.5Å; L356-K358 VanDerWaalsContact C-N 3.27Å; L356-K358 PolarHBondContact O-N 3.26Å; L356-T359 PolarHBondContact O-N 2.69Å; L356-K360 HydrophobicContact CD1-CG 3.81Å; L356-K360 HydrophobicContact CG-CG 4.18Å; L356-K360 VanDerWaalsContact O-CB 3.25Å; L356-K360 WeakPolarHBondContact O-CB 3.24Å; L356-K360 VanDerWaalsContact O-CG 3.23Å; L356-K360 WeakPolarHBondContact O-CG 3.47Å; L356-K360 PolarHBondContact O-N 2.95Å
357	Q	97.9	Very high	98.2	Very high	60 Å²	60	70.2 Å²	70.2	28%	0.28	35%	0.35	S	S	.	.	H	α-helix	trans	-57.1	-40.6	176.6	-80.3	168.3	65.4	0	0	112.3	Y344 R353 K354 K360 T361	Y344-Q357 HydrophobicContact CE1-CG 4.04Å; Y344-Q357 WeakPolarHBondContact OH-CG 3.46Å; Y344-Q357 PolarHBondContact OH-NE2 2.85Å; R353-Q357 WeakPolarHBondContact O-CB 3.28Å; R353-Q357 VanDerWaalsContact O-CG 3.29Å; R353-Q357 WeakPolarHBondContact O-CG 3.25Å; R353-Q357 PolarHBondContact O-N 3.33Å; R353-Q357 PolarHBondContact O-NE2 2.98Å; R353-Q357 VanDerWaalsContact O-NE2 3.09Å; K354-Q357 PolarHBondContact O-N 3.06Å; Q357-K360 PolarHBondContact O-N 2.81Å; Q357-T361 VanDerWaalsContact O-CB 3.28Å; Q357-T361 WeakPolarHBondContact O-CB 3.49Å; Q357-T361 PolarHBondContact O-N 3.35Å; Q357-T361 PolarHBondContact O-OG1 2.77Å
358	K	98.3	Very high	98.3	Very high	147 Å²	147	65.8 Å²	65.8	64%	0.639	32%	0.321	S	S	*	.	H	α-helix	trans	-62.1	-51.1	177.1	-173.9	179.2	177.8	-177.6	0	111	K354 S355 L356 K360 T361 D362	K354-K358 PolarHBondContact O-N 3.27Å; K354-K358 VanDerWaalsContact O-N 3.14Å; S355-K358 WeakPolarHBondContact O-CB 3.35Å; S355-K358 PolarHBondContact O-N 3.48Å; L356-K358 VanDerWaalsContact C-N 3.27Å; L356-K358 PolarHBondContact O-N 3.26Å; K358-K360 VanDerWaalsContact C-N 3.29Å; K358-K360 PolarHBondContact O-N 2.82Å; K358-T361 WeakPolarHBondContact O-CB 3.27Å; K358-T361 PolarHBondContact O-N 2.85Å; K358-D362 PolarHBondContact O-N 3.28Å; K358-D362 VanDerWaalsContact O-N 3.08Å
359	T	98.6	Very high	98.3	Very high	80 Å²	80	70.8 Å²	70.8	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-58.6	-42.8	177	-59.7	0	0	0	0	111.9	S355 L356 T361 D362 E363	S355-T359 PolarHBondContact O-N 3.3Å; S355-T359 VanDerWaalsContact O-N 3.13Å; S355-T359 PolarHBondContact O-OG1 3.35Å; L356-T359 PolarHBondContact O-N 2.69Å; T359-T361 VanDerWaalsContact C-N 3.33Å; T359-T361 PolarHBondContact O-N 3.07Å; T359-D362 PolarHBondContact O-N 2.79Å; T359-E363 WeakPolarHBondContact O-CB 3.5Å; T359-E363 PolarHBondContact O-N 2.92Å
360	K	98.4	Very high	98.4	Very high	44 Å²	44	73.7 Å²	73.7	19%	0.191	36%	0.359	C	S	.	.	H	α-helix	trans	-71	-29.6	-178.2	-74.1	-76.9	168.4	-158.5	0	112.8	Y343 L356 Q357 K358 E363 Y364 W456	Y343-K360 HydrophobicContact CE2-CB 4.15Å; Y343-K360 HydrophobicContact CE2-CD 4.47Å; Y343-K360 HydrophobicContact CE2-CG 4Å; L356-K360 HydrophobicContact CD1-CG 3.81Å; L356-K360 HydrophobicContact CG-CG 4.18Å; L356-K360 VanDerWaalsContact O-CB 3.25Å; L356-K360 WeakPolarHBondContact O-CB 3.24Å; L356-K360 VanDerWaalsContact O-CG 3.23Å; L356-K360 WeakPolarHBondContact O-CG 3.47Å; L356-K360 PolarHBondContact O-N 2.95Å; Q357-K360 PolarHBondContact O-N 2.81Å; K358-K360 VanDerWaalsContact C-N 3.29Å; K358-K360 PolarHBondContact O-N 2.82Å; K360-E363 IonicContact NZ-OE2 2.77Å; K360-E363 PolarHBondContact NZ-OE2 3.01Å; K360-Y364 VanDerWaalsContact O-CB 3.32Å; K360-Y364 WeakPolarHBondContact O-CB 3.48Å; K360-Y364 PolarHBondContact O-N 3.32Å; K360-W456 HydrophobicContact CB-CG 4.46Å; K360-W456 HydrophobicContact CD-CD2 3.49Å; K360-W456 VanDerWaalsContact CD-CD2 3.49Å; K360-W456 HydrophobicContact CD-CE3 3.98Å; K360-W456 HydrophobicContact CD-CG 3.94Å; K360-W456 HydrophobicContact CD-CH2 4.07Å; K360-W456 HydrophobicContact CD-CZ2 3.58Å; K360-W456 HydrophobicContact CD-CZ3 4.25Å; K360-W456 VanDerWaalsContact NZ-CZ3 3.28Å; K360-W456 PolarHBondContact O-NE1 3.37Å
361	T	98.8	Very high	98.4	Very high	45 Å²	45	71 Å²	71	28%	0.276	34%	0.343	S	S	.	.	H	α-helix	trans	-66.7	-49.8	170.8	-62.3	0	0	0	0	111.2	Q357 K358 T359 E363 Y364 F365 V452	Q357-T361 VanDerWaalsContact O-CB 3.28Å; Q357-T361 WeakPolarHBondContact O-CB 3.49Å; Q357-T361 PolarHBondContact O-N 3.35Å; Q357-T361 PolarHBondContact O-OG1 2.77Å; K358-T361 WeakPolarHBondContact O-CB 3.27Å; K358-T361 PolarHBondContact O-N 2.85Å; T359-T361 VanDerWaalsContact C-N 3.33Å; T359-T361 PolarHBondContact O-N 3.07Å; T361-E363 VanDerWaalsContact C-N 3.3Å; T361-E363 PolarHBondContact O-N 3.41Å; T361-Y364 PolarHBondContact O-N 2.99Å; T361-F365 HydrophobicContact CG2-CD2 3.7Å; T361-F365 HydrophobicContact CG2-CE2 3.68Å; T361-F365 VanDerWaalsContact O-CD2 3.3Å; T361-F365 WeakPolarHBondContact O-CD2 3.22Å; T361-F365 PolarHBondContact O-N 3.5Å; T361-V452 HydrophobicContact CG2-CG2 4.28Å
362	D	98.6	Very high	98.4	Very high	102 Å²	102	70.2 Å²	70.2	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-41.5	179	-65.6	-24.1	0	0	0	111.2	K358 T359 R366	K358-D362 PolarHBondContact O-N 3.28Å; K358-D362 VanDerWaalsContact O-N 3.08Å; T359-D362 PolarHBondContact O-N 2.79Å; D362-R366 VanDerWaalsContact O-CB 3.26Å; D362-R366 WeakPolarHBondContact O-CB 3.21Å; D362-R366 PolarHBondContact O-N 2.81Å
363	E	98.8	Very high	98.4	Very high	49 Å²	49	68.6 Å²	68.6	23%	0.229	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-47	176.3	-174.4	172.3	-157.8	0	0	112.4	T359 K360 T361 R366 M367 W456	T359-E363 WeakPolarHBondContact O-CB 3.5Å; T359-E363 PolarHBondContact O-N 2.92Å; K360-E363 IonicContact NZ-OE2 2.77Å; K360-E363 PolarHBondContact NZ-OE2 3.01Å; T361-E363 VanDerWaalsContact C-N 3.3Å; T361-E363 PolarHBondContact O-N 3.41Å; E363-R366 WeakPolarHBondContact O-CB 3.17Å; E363-R366 PolarHBondContact O-N 3.5Å; E363-M367 HydrophobicContact CG-CE 4.19Å; E363-M367 PolarHBondContact O-N 3.08Å; E363-M367 VanDerWaalsContact O-N 3.15Å; E363-W456 HydrophobicContact CB-CZ2 3.94Å; E363-W456 VanDerWaalsContact CD-CZ2 3.47Å; E363-W456 HydrophobicContact CG-CH2 3.91Å; E363-W456 HydrophobicContact CG-CZ2 3.62Å; E363-W456 VanDerWaalsContact OE2-CH2 3.23Å; E363-W456 WeakPolarHBondContact OE2-CH2 3.36Å; E363-W456 VanDerWaalsContact OE2-CZ2 3.23Å; E363-W456 WeakPolarHBondContact OE2-CZ2 3.11Å
364	Y	98.9	Very high	98.3	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-58.4	-52.9	176.9	172.6	-98.7	0	0	0	111.8	K360 T361 R366 M367 K368 T423 E451 V452 F455	K360-Y364 VanDerWaalsContact O-CB 3.32Å; K360-Y364 WeakPolarHBondContact O-CB 3.48Å; K360-Y364 PolarHBondContact O-N 3.32Å; T361-Y364 PolarHBondContact O-N 2.99Å; Y364-R366 VanDerWaalsContact C-N 3.27Å; Y364-R366 PolarHBondContact O-N 3.47Å; Y364-M367 PolarHBondContact O-N 3.27Å; Y364-M367 VanDerWaalsContact O-N 3.11Å; Y364-K368 HydrophobicContact CE1-CB 4.33Å; Y364-K368 HydrophobicContact CE1-CD 3.68Å; Y364-K368 WeakPolarHBondContact O-CB 3.24Å; Y364-K368 PolarHBondContact O-N 3.46Å; Y364-T423 HydrophobicContact CD2-CG2 3.75Å; Y364-T423 HydrophobicContact CE2-CG2 3.52Å; Y364-E451 HydrophobicContact CE1-CG 3.96Å; Y364-E451 VanDerWaalsContact OH-CG 3.22Å; Y364-E451 WeakPolarHBondContact OH-CG 3.44Å; Y364-E451 PolarHBondContact OH-OE1 3.22Å; Y364-V452 HydrophobicContact CD1-CG2 3.63Å; Y364-V452 HydrophobicContact CE1-CG2 4.28Å; Y364-V452 HydrophobicContact CG-CG2 4.04Å; Y364-F455 HydrophobicContact CD2-CB 3.68Å; Y364-F455 AromaticContact CD2-CD1 3.54Å; Y364-F455 HydrophobicContact CD2-CD1 3.54Å; Y364-F455 AromaticContact CD2-CD2 3.83Å; Y364-F455 HydrophobicContact CD2-CD2 3.83Å; Y364-F455 HydrophobicContact CD2-CE1 4.12Å; Y364-F455 HydrophobicContact CD2-CE2 4.37Å; Y364-F455 AromaticContact CD2-CG 3.38Å; Y364-F455 HydrophobicContact CD2-CG 3.38Å; Y364-F455 HydrophobicContact CE2-CB 3.62Å; Y364-F455 HydrophobicContact CE2-CD1 4.21Å; Y364-F455 AromaticContact CE2-CD2 3.68Å; Y364-F455 HydrophobicContact CE2-CD2 3.68Å; Y364-F455 HydrophobicContact CE2-CE2 4.42Å; Y364-F455 AromaticContact CE2-CG 3.55Å; Y364-F455 HydrophobicContact CE2-CG 3.55Å
365	F	98.8	Very high	98.3	Very high	99 Å²	99	68.1 Å²	68.1	43%	0.434	35%	0.345	S	S	.	.	H	α-helix	trans	-67.7	-29.1	-177.2	-76.7	-63.9	0	0	0	112.8	T361 K368 L369 V452	T361-F365 HydrophobicContact CG2-CD2 3.7Å; T361-F365 HydrophobicContact CG2-CE2 3.68Å; T361-F365 VanDerWaalsContact O-CD2 3.3Å; T361-F365 WeakPolarHBondContact O-CD2 3.22Å; T361-F365 PolarHBondContact O-N 3.5Å; F365-K368 HydrophobicContact CD1-CD 4.09Å; F365-K368 HydrophobicContact CE1-CD 4.19Å; F365-K368 PolarHBondContact O-N 3.07Å; F365-L369 WeakPolarHBondContact O-CB 3.45Å; F365-L369 PolarHBondContact O-N 3.41Å; F365-V452 HydrophobicContact CE2-CG2 3.97Å; F365-V452 HydrophobicContact CZ-CG2 4.35Å
366	R	98.8	Very high	98.1	Very high	142 Å²	142	72.8 Å²	72.8	54%	0.536	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-44.4	170.8	-179.4	174.1	58.8	80.6	0.3	111.6	D362 E363 Y364 Q370	D362-R366 VanDerWaalsContact O-CB 3.26Å; D362-R366 WeakPolarHBondContact O-CB 3.21Å; D362-R366 PolarHBondContact O-N 2.81Å; E363-R366 WeakPolarHBondContact O-CB 3.17Å; E363-R366 PolarHBondContact O-N 3.5Å; Y364-R366 VanDerWaalsContact C-N 3.27Å; Y364-R366 PolarHBondContact O-N 3.47Å; R366-Q370 WeakPolarHBondContact O-CG 3.22Å
367	M	98.8	Very high	98.1	Very high	9 Å²	9	74.1 Å²	74.1	4%	0.044	36%	0.363	C	S	.	.	H	α-helix	trans	-71.6	-40.9	175.8	-66.4	-176.8	-63.1	0	0	112	E363 Y364 L369 Q370 T423 M426 Y427 F455 W456	E363-M367 HydrophobicContact CG-CE 4.19Å; E363-M367 PolarHBondContact O-N 3.08Å; E363-M367 VanDerWaalsContact O-N 3.15Å; Y364-M367 PolarHBondContact O-N 3.27Å; Y364-M367 VanDerWaalsContact O-N 3.11Å; M367-L369 VanDerWaalsContact C-N 3.26Å; M367-L369 PolarHBondContact O-N 2.86Å; M367-Q370 VanDerWaalsContact O-CB 3.27Å; M367-Q370 WeakPolarHBondContact O-CB 3.4Å; M367-Q370 PolarHBondContact O-N 2.72Å; M367-T423 HydrophobicContact CB-CG2 3.81Å; M367-M426 HydrophobicContact CB-CB 4.27Å; M367-Y427 HydrophobicContact CE-CD2 4.07Å; M367-Y427 HydrophobicContact SD-CD2 3.82Å; M367-Y427 HydrophobicContact SD-CG 4.38Å; M367-F455 HydrophobicContact CE-CE1 3.59Å; M367-F455 HydrophobicContact CE-CZ 3.51Å; M367-W456 HydrophobicContact CE-CH2 4.08Å; M367-W456 HydrophobicContact CE-CZ2 4.04Å
368	K	98.8	Very high	98	Very high	19 Å²	19	76.5 Å²	76.5	8%	0.083	37%	0.374	C	S	.	.	H	α-helix	trans	-58.3	-39.9	176.6	-175.8	170.1	-177.4	162.7	0	112	Y364 F365 Q370 W371 K372 D419 T423 E451	Y364-K368 HydrophobicContact CE1-CB 4.33Å; Y364-K368 HydrophobicContact CE1-CD 3.68Å; Y364-K368 WeakPolarHBondContact O-CB 3.24Å; Y364-K368 PolarHBondContact O-N 3.46Å; F365-K368 HydrophobicContact CD1-CD 4.09Å; F365-K368 HydrophobicContact CE1-CD 4.19Å; F365-K368 PolarHBondContact O-N 3.07Å; K368-Q370 VanDerWaalsContact C-N 3.26Å; K368-Q370 PolarHBondContact O-N 3.43Å; K368-W371 HydrophobicContact CG-CZ2 4.31Å; K368-W371 VanDerWaalsContact O-CD1 3.24Å; K368-W371 PolarHBondContact O-NE1 3.47Å; K368-K372 HydrophobicContact CG-CG 4.4Å; K368-K372 WeakPolarHBondContact O-CB 3.34Å; K368-K372 PolarHBondContact O-N 3.25Å; K368-D419 WeakPolarHBondContact CE-OD2 3.34Å; K368-D419 IonicContact NZ-OD2 3.82Å; K368-D419 PolarHBondContact NZ-OD2 3.17Å; K368-T423 HydrophobicContact CB-CG2 4.14Å; K368-E451 IonicContact NZ-OE1 2.87Å; K368-E451 PolarHBondContact NZ-OE1 2.91Å; K368-E451 IonicContact NZ-OE2 2.69Å; K368-E451 PolarHBondContact NZ-OE2 2.78Å
369	L	98.6	Very high	97.8	Very high	113 Å²	113	71.5 Å²	71.5	59%	0.592	35%	0.353	S	S	*	.	H	α-helix	trans	-63.9	-31.6	176.7	-176	61.6	0	0	0	112.2	F365 M367 W371 K372 S373	F365-L369 WeakPolarHBondContact O-CB 3.45Å; F365-L369 PolarHBondContact O-N 3.41Å; M367-L369 VanDerWaalsContact C-N 3.26Å; M367-L369 PolarHBondContact O-N 2.86Å; L369-W371 PolarHBondContact O-N 3.24Å; L369-K372 PolarHBondContact O-N 3.36Å; L369-S373 WeakPolarHBondContact O-CB 3.29Å; L369-S373 PolarHBondContact O-N 2.93Å; L369-S373 PolarHBondContact O-OG 3.26Å
370	Q	98.4	Very high	97.5	Very high	82 Å²	82	75.5 Å²	75.5	38%	0.383	36%	0.359	S	S	.	.	H	α-helix	trans	-58.7	-51.3	179.3	-65.9	168	-10.4	0	0	110.8	R366 M367 K368 S373 I374 M426	R366-Q370 WeakPolarHBondContact O-CG 3.22Å; M367-Q370 VanDerWaalsContact O-CB 3.27Å; M367-Q370 WeakPolarHBondContact O-CB 3.4Å; M367-Q370 PolarHBondContact O-N 2.72Å; K368-Q370 VanDerWaalsContact C-N 3.26Å; K368-Q370 PolarHBondContact O-N 3.43Å; Q370-S373 PolarHBondContact O-OG 3.24Å; Q370-I374 WeakPolarHBondContact O-CG1 3.45Å; Q370-M426 HydrophobicContact CB-CG 4.15Å; Q370-M426 HydrophobicContact CB-SD 3.99Å
371	W	98.1	Very high	97.4	Very high	29 Å²	29	82.5 Å²	82.5	11%	0.11	39%	0.385	C	S	.	.	H	α-helix	trans	-78.1	-34.4	179.3	73	-97.2	0	0	0	112.9	K368 L369 S373 I374 H418 D419 M422 T423 M426	K368-W371 HydrophobicContact CG-CZ2 4.31Å; K368-W371 VanDerWaalsContact O-CD1 3.24Å; K368-W371 PolarHBondContact O-NE1 3.47Å; L369-W371 PolarHBondContact O-N 3.24Å; W371-S373 VanDerWaalsContact C-N 3.27Å; W371-S373 PolarHBondContact O-N 2.88Å; W371-I374 WeakPolarHBondContact O-CB 3.34Å; W371-I374 PolarHBondContact O-N 3.03Å; W371-H418 AromaticContact CH2-CE1 3.68Å; W371-H418 AromaticContact CZ3-CE1 3.9Å; W371-D419 WeakPolarHBondContact CH2-OD1 3.24Å; W371-D419 HydrophobicContact CZ2-CB 4.11Å; W371-M422 HydrophobicContact CB-CE 4.31Å; W371-M422 HydrophobicContact CD2-CB 3.65Å; W371-M422 HydrophobicContact CD2-CE 4.16Å; W371-M422 HydrophobicContact CD2-CG 4.42Å; W371-M422 VanDerWaalsContact CE2-CB 3.47Å; W371-M422 HydrophobicContact CE3-CB 4.03Å; W371-M422 HydrophobicContact CE3-CE 3.85Å; W371-M422 HydrophobicContact CE3-CG 4.31Å; W371-M422 HydrophobicContact CG-CB 4.11Å; W371-M422 HydrophobicContact CG-CE 4.39Å; W371-M422 HydrophobicContact CH2-CB 4.04Å; W371-M422 HydrophobicContact CH2-CG 4.28Å; W371-M422 HydrophobicContact CZ2-CB 3.7Å; W371-M422 HydrophobicContact CZ2-CG 4.42Å; W371-M422 HydrophobicContact CZ3-CB 4.21Å; W371-M422 HydrophobicContact CZ3-CE 4.46Å; W371-M422 HydrophobicContact CZ3-CG 4.23Å; W371-T423 PolarHBondContact NE1-OG1 3.02Å; W371-M426 HydrophobicContact CB-CE 4.27Å; W371-M426 HydrophobicContact CB-CG 3.78Å; W371-M426 HydrophobicContact CB-SD 3.89Å; W371-M426 HydrophobicContact CG-CG 4.23Å
372	K	97.9	Very high	97.1	Very high	111 Å²	111	83 Å²	83	48%	0.483	39%	0.386	S	S	.	.	H	α-helix	trans	-68.6	-23	178.6	-79.5	-145.3	173.7	-175.3	0	114.2	K368 L369 D419	K368-K372 HydrophobicContact CG-CG 4.4Å; K368-K372 WeakPolarHBondContact O-CB 3.34Å; K368-K372 PolarHBondContact O-N 3.25Å; L369-K372 PolarHBondContact O-N 3.36Å; K372-D419 VanDerWaalsContact CE-OD2 3.31Å; K372-D419 WeakPolarHBondContact CE-OD2 3.39Å; K372-D419 IonicContact NZ-OD1 3.98Å; K372-D419 IonicContact NZ-OD2 2.71Å; K372-D419 PolarHBondContact NZ-OD2 3.27Å
373	S	97.9	Very high	96.8	Very high	76 Å²	76	81 Å²	81	53%	0.531	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-1.8	178.4	61.8	0	0	0	0	113.8	L369 Q370 W371 S375	L369-S373 WeakPolarHBondContact O-CB 3.29Å; L369-S373 PolarHBondContact O-N 2.93Å; L369-S373 PolarHBondContact O-OG 3.26Å; Q370-S373 PolarHBondContact O-OG 3.24Å; W371-S373 VanDerWaalsContact C-N 3.27Å; W371-S373 PolarHBondContact O-N 2.88Å; S373-S375 PolarHBondContact O-N 3.44Å
374	I	96.9	Very high	96.3	Very high	47 Å²	47	85.1 Å²	85.1	24%	0.241	39%	0.393	C	S	.	.			trans	-70	120.8	176.6	-69	173.6	0	0	0	109.1	Q370 W371 Q378 E379 L385	Q370-I374 WeakPolarHBondContact O-CG1 3.45Å; W371-I374 WeakPolarHBondContact O-CB 3.34Å; W371-I374 PolarHBondContact O-N 3.03Å; I374-Q378 HydrophobicContact CG2-CB 3.76Å; I374-E379 HydrophobicContact CG2-CB 4.05Å; I374-L385 HydrophobicContact CD1-CD2 3.21Å; I374-L385 HydrophobicContact CG1-CD2 4.46Å; I374-L385 HydrophobicContact CG2-CD2 4.26Å
375	S	97.4	Very high	95.9	Very high	55 Å²	55	85.3 Å²	85.3	39%	0.385	39%	0.394	S	S	.	.			trans	-73.5	160	173.9	62.9	0	0	0	0	112	S373 E377 Q378 E379	S373-S375 PolarHBondContact O-N 3.44Å; S375-E377 PolarHBondContact O-N 3.32Å; S375-Q378 WeakPolarHBondContact O-CB 3.49Å; S375-Q378 PolarHBondContact O-N 3.38Å; S375-Q378 WeakPolarHBondContact OG-CG 3.4Å; S375-Q378 PolarHBondContact OG-N 2.69Å; S375-Q378 PolarHBondContact OG-OE1 3.31Å; S375-E379 PolarHBondContact O-N 2.82Å
376	E	94.6	Very high	95.7	Very high	172 Å²	172	84.2 Å²	84.2	80%	0.804	39%	0.387	S	S	*	.	H	α-helix	trans	-54.6	-38.5	176.9	-64.8	-179.1	175.8	0	0	112.6	E379 R380	E376-E379 PolarHBondContact O-N 3.24Å; E376-R380 WeakPolarHBondContact O-CB 3.47Å; E376-R380 PolarHBondContact O-N 3.14Å
377	E	96.5	Very high	95.1	Very high	76 Å²	76	78.9 Å²	78.9	36%	0.355	37%	0.369	S	S	.	.	H	α-helix	trans	-70.9	-32.7	178.9	-179.3	57.4	-166.7	0	0	112.4	S375 R380 R381	S375-E377 PolarHBondContact O-N 3.32Å; E377-R380 IonicContact OE1-CZ 2.72Å; E377-R380 IonicContact OE1-NE 3.65Å; E377-R380 IonicContact OE1-NH2 3.21Å; E377-R380 PolarHBondContact OE1-NH2 3.02Å; E377-R380 IonicContact OE2-CZ 3.78Å; E377-R380 IonicContact OE2-NE 2.69Å; E377-R380 PolarHBondContact OE2-NE 3.14Å; E377-R380 IonicContact OE2-NH2 2.86Å; E377-R380 PolarHBondContact OE2-NH2 2.98Å; E377-R380 VanDerWaalsContact OE2-NH2 3.15Å; E377-R381 WeakPolarHBondContact O-CG 3.26Å; E377-R381 PolarHBondContact O-N 3.37Å; E377-R381 IonicContact OE1-CZ 2.72Å; E377-R381 IonicContact OE1-NE 3.19Å; E377-R381 PolarHBondContact OE1-NE 3.37Å; E377-R381 IonicContact OE1-NH2 2.89Å; E377-R381 PolarHBondContact OE1-NH2 3.22Å
378	Q	96.8	Very high	94.7	Very high	109 Å²	109	79.9 Å²	79.9	51%	0.509	37%	0.373	S	S	.	.	H	α-helix	trans	-70.8	-42	172.7	-72.5	167	-61.7	0	0	111	I374 S375 R380 R381 N382	I374-Q378 HydrophobicContact CG2-CB 3.76Å; S375-Q378 WeakPolarHBondContact O-CB 3.49Å; S375-Q378 PolarHBondContact O-N 3.38Å; S375-Q378 WeakPolarHBondContact OG-CG 3.4Å; S375-Q378 PolarHBondContact OG-N 2.69Å; S375-Q378 PolarHBondContact OG-OE1 3.31Å; Q378-R380 VanDerWaalsContact C-N 3.32Å; Q378-R380 PolarHBondContact O-N 2.87Å; Q378-R381 PolarHBondContact O-N 3.29Å; Q378-R381 VanDerWaalsContact O-N 3.13Å; Q378-N382 PolarHBondContact O-N 3.42Å
379	E	92.8	Very high	94.4	Very high	43 Å²	43	81.3 Å²	81.3	20%	0.201	38%	0.379	C	S	.	.	H	α-helix	trans	-61.3	-39.6	175.8	-172.7	177.6	159.9	0	0	111.6	I374 S375 E376 R381 N382 R386 K389	I374-E379 HydrophobicContact CG2-CB 4.05Å; S375-E379 PolarHBondContact O-N 2.82Å; E376-E379 PolarHBondContact O-N 3.24Å; E379-R381 PolarHBondContact O-N 2.88Å; E379-N382 PolarHBondContact O-N 3.48Å; E379-R386 HydrophobicContact CG-CB 4.23Å; E379-R386 HydrophobicContact CG-CG 4.48Å; E379-R386 PolarHBondContact O-NH1 3.15Å; E379-K389 VanDerWaalsContact OE1-CD 3.3Å; E379-K389 WeakPolarHBondContact OE1-CD 3.31Å; E379-K389 IonicContact OE1-NZ 2.8Å; E379-K389 PolarHBondContact OE1-NZ 3.07Å; E379-K389 IonicContact OE2-NZ 3.13Å; E379-K389 PolarHBondContact OE2-NZ 3.04Å
380	R	93	Very high	93.9	Very high	163 Å²	163	77.3 Å²	77.3	62%	0.615	36%	0.361	S	S	*	.	H	α-helix	trans	-59.9	-34.1	175.3	-165.9	175.9	70.8	108.7	3.2	112.5	E376 E377 Q378 R386	E376-R380 WeakPolarHBondContact O-CB 3.47Å; E376-R380 PolarHBondContact O-N 3.14Å; E377-R380 IonicContact OE1-CZ 2.72Å; E377-R380 IonicContact OE1-NE 3.65Å; E377-R380 IonicContact OE1-NH2 3.21Å; E377-R380 PolarHBondContact OE1-NH2 3.02Å; E377-R380 IonicContact OE2-CZ 3.78Å; E377-R380 IonicContact OE2-NE 2.69Å; E377-R380 PolarHBondContact OE2-NE 3.14Å; E377-R380 IonicContact OE2-NH2 2.86Å; E377-R380 PolarHBondContact OE2-NH2 2.98Å; E377-R380 VanDerWaalsContact OE2-NH2 3.15Å; Q378-R380 VanDerWaalsContact C-N 3.32Å; Q378-R380 PolarHBondContact O-N 2.87Å; R380-R386 PolarHBondContact O-NH1 3.41Å
381	R	95.8	Very high	93.2	Very high	192 Å²	192	73.8 Å²	73.8	73%	0.725	34%	0.344	S	S	*	.	H	α-helix	trans	-88.3	-15	-178.8	-65.7	175.4	-172.9	-129	3.2	114	E377 Q378 E379	E377-R381 WeakPolarHBondContact O-CG 3.26Å; E377-R381 PolarHBondContact O-N 3.37Å; E377-R381 IonicContact OE1-CZ 2.72Å; E377-R381 IonicContact OE1-NE 3.19Å; E377-R381 PolarHBondContact OE1-NE 3.37Å; E377-R381 IonicContact OE1-NH2 2.89Å; E377-R381 PolarHBondContact OE1-NH2 3.22Å; Q378-R381 PolarHBondContact O-N 3.29Å; Q378-R381 VanDerWaalsContact O-N 3.13Å; E379-R381 PolarHBondContact O-N 2.88Å
382	N	94.2	Very high	92.8	Very high	56 Å²	56	72.4 Å²	72.4	30%	0.299	34%	0.339	S	S	.	.			trans	-105.8	88.9	176.3	-170.7	-18.7	0	0	0	109.8	Q378 E379 L385 R386	Q378-N382 PolarHBondContact O-N 3.42Å; E379-N382 PolarHBondContact O-N 3.48Å; N382-L385 HydrophobicContact CB-CB 4.15Å; N382-L385 VanDerWaalsContact CG-CB 3.48Å; N382-L385 PolarHBondContact OD1-N 2.98Å; N382-L385 VanDerWaalsContact OD1-N 3.14Å; N382-R386 PolarHBondContact O-N 3.34Å
383	S	90.9	Very high	92.5	Very high	59 Å²	59	71.1 Å²	71.1	41%	0.413	34%	0.335	S	S	.	.	H	α-helix	trans	-59.7	-49.3	-178.5	52.9	0	0	0	0	112.3	L385 R386 D387	S383-L385 VanDerWaalsContact C-N 3.34Å; S383-L385 PolarHBondContact O-N 3.16Å; S383-R386 PolarHBondContact O-N 3.33Å; S383-R386 VanDerWaalsContact O-N 3.12Å; S383-D387 WeakPolarHBondContact O-CB 3.39Å; S383-D387 PolarHBondContact O-N 2.85Å
384	R	87.8	Confident	91.9	Very high	135 Å²	135	72.9 Å²	72.9	51%	0.509	33%	0.333	S	S	.	.	H	α-helix	trans	-55	-48.1	-178.8	-72.8	-171	176.5	-174.7	-3	112.4	R386 D387 Y388 F429	R384-R386 PolarHBondContact O-N 3.44Å; R384-D387 PolarHBondContact O-N 2.97Å; R384-Y388 HydrophobicContact CB-CE2 4.13Å; R384-Y388 WeakPolarHBondContact O-CD2 3.21Å; R384-Y388 VanDerWaalsContact O-CG 3.28Å; R384-Y388 PolarHBondContact O-N 3.31Å; R384-F429 HydrophobicContact CB-CE1 4.37Å; R384-F429 HydrophobicContact CB-CZ 4.13Å
385	L	91.9	Very high	91.3	Very high	5 Å²	5	70.7 Å²	70.7	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-62.7	-43.5	179	178	64.8	0	0	0	112.3	I374 N382 S383 D387 Y388 K389 M422 M426 F429	I374-L385 HydrophobicContact CD1-CD2 3.21Å; I374-L385 HydrophobicContact CG1-CD2 4.46Å; I374-L385 HydrophobicContact CG2-CD2 4.26Å; N382-L385 HydrophobicContact CB-CB 4.15Å; N382-L385 VanDerWaalsContact CG-CB 3.48Å; N382-L385 PolarHBondContact OD1-N 2.98Å; N382-L385 VanDerWaalsContact OD1-N 3.14Å; S383-L385 VanDerWaalsContact C-N 3.34Å; S383-L385 PolarHBondContact O-N 3.16Å; L385-D387 VanDerWaalsContact C-N 3.28Å; L385-D387 PolarHBondContact O-N 3.17Å; L385-Y388 PolarHBondContact O-N 3.42Å; L385-K389 WeakPolarHBondContact O-CB 3.33Å; L385-K389 PolarHBondContact O-N 2.9Å; L385-M422 HydrophobicContact CD1-CE 3.85Å; L385-M426 HydrophobicContact CD1-CE 3.74Å; L385-F429 HydrophobicContact CB-CE2 4.23Å; L385-F429 HydrophobicContact CB-CZ 4.38Å; L385-F429 HydrophobicContact CD1-CE2 4.42Å
386	R	94.4	Very high	91	Very high	76 Å²	76	68.3 Å²	68.3	29%	0.287	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-39.5	177.3	-177.1	-176.3	60.5	-111.4	2.2	111	E379 R380 N382 S383 R384 K389 S390	E379-R386 HydrophobicContact CG-CB 4.23Å; E379-R386 HydrophobicContact CG-CG 4.48Å; E379-R386 PolarHBondContact O-NH1 3.15Å; R380-R386 PolarHBondContact O-NH1 3.41Å; N382-R386 PolarHBondContact O-N 3.34Å; S383-R386 PolarHBondContact O-N 3.33Å; S383-R386 VanDerWaalsContact O-N 3.12Å; R384-R386 PolarHBondContact O-N 3.44Å; R386-K389 PolarHBondContact O-N 3.18Å; R386-S390 WeakPolarHBondContact O-CB 3.44Å; R386-S390 PolarHBondContact O-N 3.36Å
387	D	84.9	Confident	90.7	Very high	29 Å²	29	65 Å²	65	16%	0.155	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-47.7	178.6	-60.3	-14.2	0	0	0	110	L229 S383 R384 L385 K389 S390 L391	L229-D387 VanDerWaalsContact CD2-OD2 3.31Å; L229-D387 WeakPolarHBondContact CD2-OD2 3.37Å; L229-D387 VanDerWaalsContact O-CB 3.32Å; L229-D387 WeakPolarHBondContact O-CB 3.48Å; S383-D387 WeakPolarHBondContact O-CB 3.39Å; S383-D387 PolarHBondContact O-N 2.85Å; R384-D387 PolarHBondContact O-N 2.97Å; L385-D387 VanDerWaalsContact C-N 3.28Å; L385-D387 PolarHBondContact O-N 3.17Å; D387-K389 PolarHBondContact O-N 3.2Å; D387-S390 PolarHBondContact O-N 3.48Å; D387-S390 PolarHBondContact O-OG 3.42Å; D387-L391 WeakPolarHBondContact O-CG 3.24Å; D387-L391 PolarHBondContact O-N 3.31Å; D387-L391 VanDerWaalsContact O-N 3.13Å
388	Y	91.4	Very high	90.2	Very high	30 Å²	30	66 Å²	66	12%	0.118	29%	0.293	C	S	.	.	H	α-helix	trans	-57.1	-48.5	173	-63.5	-39.8	0	0	0	112.4	R384 L385 S390 L391 I392 F429 Y433	R384-Y388 HydrophobicContact CB-CE2 4.13Å; R384-Y388 WeakPolarHBondContact O-CD2 3.21Å; R384-Y388 VanDerWaalsContact O-CG 3.28Å; R384-Y388 PolarHBondContact O-N 3.31Å; L385-Y388 PolarHBondContact O-N 3.42Å; Y388-S390 VanDerWaalsContact C-N 3.35Å; Y388-S390 PolarHBondContact O-N 3.21Å; Y388-L391 WeakPolarHBondContact O-CB 3.34Å; Y388-L391 PolarHBondContact O-N 3.19Å; Y388-L391 VanDerWaalsContact O-N 3.1Å; Y388-I392 WeakPolarHBondContact O-CG1 3.48Å; Y388-I392 PolarHBondContact O-N 3.06Å; Y388-F429 HydrophobicContact CE2-CE2 4.39Å; Y388-F429 PolarHBondContact OH-O 3.18Å; Y388-Y433 VanDerWaalsContact CD1-N 3.31Å
389	K	93.4	Very high	89.6	Confident	49 Å²	49	60.8 Å²	60.8	21%	0.213	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-46.7	178.5	-178.5	-178.5	169.9	-166.5	0	111.4	E379 L385 R386 D387 L391 I392 E393 M422	E379-K389 VanDerWaalsContact OE1-CD 3.3Å; E379-K389 WeakPolarHBondContact OE1-CD 3.31Å; E379-K389 IonicContact OE1-NZ 2.8Å; E379-K389 PolarHBondContact OE1-NZ 3.07Å; E379-K389 IonicContact OE2-NZ 3.13Å; E379-K389 PolarHBondContact OE2-NZ 3.04Å; L385-K389 WeakPolarHBondContact O-CB 3.33Å; L385-K389 PolarHBondContact O-N 2.9Å; R386-K389 PolarHBondContact O-N 3.18Å; D387-K389 PolarHBondContact O-N 3.2Å; K389-L391 PolarHBondContact O-N 3.47Å; K389-I392 PolarHBondContact O-N 2.72Å; K389-E393 VanDerWaalsContact CE-OE1 3.26Å; K389-E393 WeakPolarHBondContact CE-OE1 3.43Å; K389-E393 WeakPolarHBondContact O-CB 3.16Å; K389-E393 WeakPolarHBondContact O-CG 3.4Å; K389-E393 PolarHBondContact O-N 2.98Å; K389-M422 HydrophobicContact CB-CE 4.03Å; K389-M422 HydrophobicContact CB-SD 3.8Å; K389-M422 HydrophobicContact CD-CE 4.43Å; K389-M422 HydrophobicContact CG-CE 4.21Å; K389-M422 HydrophobicContact CG-SD 4Å
390	S	87.4	Confident	89.4	Confident	30 Å²	30	59.6 Å²	59.6	21%	0.21	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-30.2	178.6	80.9	0	0	0	0	112.4	R386 D387 Y388 K394	R386-S390 WeakPolarHBondContact O-CB 3.44Å; R386-S390 PolarHBondContact O-N 3.36Å; D387-S390 PolarHBondContact O-N 3.48Å; D387-S390 PolarHBondContact O-OG 3.42Å; Y388-S390 VanDerWaalsContact C-N 3.35Å; Y388-S390 PolarHBondContact O-N 3.21Å; S390-K394 VanDerWaalsContact O-CG 3.23Å; S390-K394 WeakPolarHBondContact O-CG 3.33Å; S390-K394 PolarHBondContact O-N 3.19Å
391	L	83.3	Confident	89.2	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-80.4	-43.5	179	-74.2	167	0	0	0	114.2	G231 F232 D387 Y388 K389 E393 K394 D395 Y433	G231-L391 VanDerWaalsContact C-CD1 3.45Å; G231-L391 VanDerWaalsContact CA-CD1 3.45Å; G231-L391 VanDerWaalsContact N-CD2 3.32Å; G231-L391 WeakPolarHBondContact O-CD1 3.45Å; G231-L391 WeakPolarHBondContact O-CD2 3.5Å; F232-L391 HydrophobicContact CD2-CD2 4.22Å; D387-L391 WeakPolarHBondContact O-CG 3.24Å; D387-L391 PolarHBondContact O-N 3.31Å; D387-L391 VanDerWaalsContact O-N 3.13Å; Y388-L391 WeakPolarHBondContact O-CB 3.34Å; Y388-L391 PolarHBondContact O-N 3.19Å; Y388-L391 VanDerWaalsContact O-N 3.1Å; K389-L391 PolarHBondContact O-N 3.47Å; L391-E393 VanDerWaalsContact C-N 3.26Å; L391-E393 PolarHBondContact O-N 3.18Å; L391-K394 PolarHBondContact O-N 3.12Å; L391-D395 PolarHBondContact O-N 2.86Å; L391-Y433 HydrophobicContact CB-CD1 3.55Å; L391-Y433 HydrophobicContact CB-CE1 3.81Å; L391-Y433 HydrophobicContact CD1-CD1 4.44Å
392	I	90.2	Very high	88.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.6	-48.9	172	-69.1	165.3	0	0	0	108.8	Y388 K389 K394 D395 V396 H418 L421 M422 Y433	Y388-I392 WeakPolarHBondContact O-CG1 3.48Å; Y388-I392 PolarHBondContact O-N 3.06Å; K389-I392 PolarHBondContact O-N 2.72Å; I392-K394 VanDerWaalsContact C-N 3.35Å; I392-K394 PolarHBondContact O-N 2.89Å; I392-D395 PolarHBondContact O-N 3.25Å; I392-V396 HydrophobicContact CG2-CG2 3.89Å; I392-V396 VanDerWaalsContact O-CB 3.24Å; I392-V396 WeakPolarHBondContact O-CB 3.46Å; I392-V396 WeakPolarHBondContact O-CG2 3.4Å; I392-V396 PolarHBondContact O-N 3.13Å; I392-H418 HydrophobicContact CG2-CB 4.41Å; I392-L421 HydrophobicContact CD1-CB 3.77Å; I392-L421 HydrophobicContact CG1-CB 3.89Å; I392-L421 HydrophobicContact CG1-CD1 4.44Å; I392-L421 HydrophobicContact CG2-CB 3.88Å; I392-L421 HydrophobicContact CG2-CD1 3.96Å; I392-M422 HydrophobicContact CD1-CG 4.04Å; I392-M422 HydrophobicContact CD1-SD 3.52Å; I392-M422 VanDerWaalsContact CD1-SD 3.52Å; I392-Y433 HydrophobicContact CD1-CD2 4.1Å; I392-Y433 HydrophobicContact CD1-CG 4.01Å; I392-Y433 HydrophobicContact CG1-CD1 3.79Å; I392-Y433 HydrophobicContact CG1-CD2 3.46Å; I392-Y433 VanDerWaalsContact CG1-CD2 3.46Å; I392-Y433 HydrophobicContact CG1-CE1 4.2Å; I392-Y433 HydrophobicContact CG1-CE2 3.89Å; I392-Y433 HydrophobicContact CG1-CG 3.39Å
393	E	90.2	Very high	88.7	Confident	84 Å²	84	52.1 Å²	52.1	39%	0.393	25%	0.249	S	C	.	.	H	α-helix	trans	-58.5	-44.3	178.1	-73	174.6	179.3	0	0	112.3	K389 L391 N397	K389-E393 VanDerWaalsContact CE-OE1 3.26Å; K389-E393 WeakPolarHBondContact CE-OE1 3.43Å; K389-E393 WeakPolarHBondContact O-CB 3.16Å; K389-E393 WeakPolarHBondContact O-CG 3.4Å; K389-E393 PolarHBondContact O-N 2.98Å; L391-E393 VanDerWaalsContact C-N 3.26Å; L391-E393 PolarHBondContact O-N 3.18Å; E393-N397 WeakPolarHBondContact O-CB 3.41Å; E393-N397 PolarHBondContact O-N 3.3Å; E393-N397 PolarHBondContact O-ND2 3.18Å
394	K	85.3	Confident	88.7	Confident	112 Å²	112	59.6 Å²	59.6	49%	0.487	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-46.3	177.5	-77.2	172.6	-174.1	-175.3	0	112.1	S390 L391 I392	S390-K394 VanDerWaalsContact O-CG 3.23Å; S390-K394 WeakPolarHBondContact O-CG 3.33Å; S390-K394 PolarHBondContact O-N 3.19Å; L391-K394 PolarHBondContact O-N 3.12Å; I392-K394 VanDerWaalsContact C-N 3.35Å; I392-K394 PolarHBondContact O-N 2.89Å
395	D	85.9	Confident	89	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-75.9	-42.6	-175.3	-78.5	-8.4	0	0	0	113.4	L391 I392 N397 R398 T399 Y433 Q435 S438	L391-D395 PolarHBondContact O-N 2.86Å; I392-D395 PolarHBondContact O-N 3.25Å; D395-N397 VanDerWaalsContact C-N 3.26Å; D395-N397 PolarHBondContact O-N 2.71Å; D395-R398 VanDerWaalsContact O-CG 3.22Å; D395-R398 WeakPolarHBondContact O-CG 3.46Å; D395-R398 PolarHBondContact O-N 3.05Å; D395-R398 VanDerWaalsContact O-N 3.16Å; D395-R398 IonicContact OD1-CZ 2.78Å; D395-R398 VanDerWaalsContact OD1-CZ 3.28Å; D395-R398 IonicContact OD1-NE 3.42Å; D395-R398 PolarHBondContact OD1-NE 2.74Å; D395-R398 IonicContact OD1-NH2 3.98Å; D395-R398 PolarHBondContact OD1-NH2 2.96Å; D395-R398 IonicContact OD2-NH2 2.81Å; D395-T399 PolarHBondContact O-N 2.86Å; D395-T399 PolarHBondContact O-OG1 2.93Å; D395-Y433 WeakPolarHBondContact CB-OH 3.47Å; D395-Y433 VanDerWaalsContact CG-OH 3.29Å; D395-Y433 WeakPolarHBondContact OD2-CE1 3.15Å; D395-Y433 VanDerWaalsContact OD2-CZ 3.31Å; D395-Y433 PolarHBondContact OD2-OH 2.87Å; D395-Q435 WeakPolarHBondContact OD1-CG 3.28Å; D395-Q435 WeakPolarHBondContact OD2-CA 3.33Å; D395-Q435 WeakPolarHBondContact OD2-CG 3.46Å; D395-S438 WeakPolarHBondContact CB-OG 3.49Å
396	V	91.4	Very high	89	Confident	6 Å²	6	55.2 Å²	55.2	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-43.4	177.3	169	0	0	0	0	110.2	I392 R398 T399 L414 L417 H418 L421	I392-V396 HydrophobicContact CG2-CG2 3.89Å; I392-V396 VanDerWaalsContact O-CB 3.24Å; I392-V396 WeakPolarHBondContact O-CB 3.46Å; I392-V396 WeakPolarHBondContact O-CG2 3.4Å; I392-V396 PolarHBondContact O-N 3.13Å; V396-R398 PolarHBondContact O-N 3.35Å; V396-R398 VanDerWaalsContact O-N 3.13Å; V396-T399 PolarHBondContact O-N 2.9Å; V396-T399 VanDerWaalsContact O-N 3.12Å; V396-L414 HydrophobicContact CG1-CB 3.91Å; V396-L414 HydrophobicContact CG1-CD2 4.06Å; V396-L414 VanDerWaalsContact CG1-O 3.29Å; V396-L414 WeakPolarHBondContact CG1-O 3.35Å; V396-L414 WeakPolarHBondContact O-CD2 3.46Å; V396-L417 HydrophobicContact CG1-CB 4.21Å; V396-L417 HydrophobicContact CG2-CB 3.98Å; V396-H418 HydrophobicContact CG1-CB 4.44Å; V396-H418 HydrophobicContact CG2-CB 4.38Å; V396-L421 HydrophobicContact CG2-CD1 3.94Å
397	N	88.1	Confident	88.8	Confident	102 Å²	102	56 Å²	56	55%	0.545	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-28.3	-178.4	-78.8	-37.6	0	0	0	114.1	E393 D395 R401	E393-N397 WeakPolarHBondContact O-CB 3.41Å; E393-N397 PolarHBondContact O-N 3.3Å; E393-N397 PolarHBondContact O-ND2 3.18Å; D395-N397 VanDerWaalsContact C-N 3.26Å; D395-N397 PolarHBondContact O-N 2.71Å; N397-R401 PolarHBondContact O-NH1 2.96Å
398	R	85.3	Confident	88.8	Confident	96 Å²	96	56.8 Å²	56.8	36%	0.362	27%	0.274	S	S	.	.	H	α-helix	trans	-103.4	-0.4	179.3	66.5	-173.9	-174.5	94.3	0.7	114.1	D395 V396 D400 Q435	D395-R398 VanDerWaalsContact O-CG 3.22Å; D395-R398 WeakPolarHBondContact O-CG 3.46Å; D395-R398 PolarHBondContact O-N 3.05Å; D395-R398 VanDerWaalsContact O-N 3.16Å; D395-R398 IonicContact OD1-CZ 2.78Å; D395-R398 VanDerWaalsContact OD1-CZ 3.28Å; D395-R398 IonicContact OD1-NE 3.42Å; D395-R398 PolarHBondContact OD1-NE 2.74Å; D395-R398 IonicContact OD1-NH2 3.98Å; D395-R398 PolarHBondContact OD1-NH2 2.96Å; D395-R398 IonicContact OD2-NH2 2.81Å; V396-R398 PolarHBondContact O-N 3.35Å; V396-R398 VanDerWaalsContact O-N 3.13Å; R398-D400 PolarHBondContact O-N 3.18Å; R398-Q435 VanDerWaalsContact NH2-CG 3.3Å
399	T	85.1	Confident	88.4	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	31%	0.309	C	S	.	.	S	Bend	trans	-74.3	119.7	-175.7	-61.9	0	0	0	0	111.1	D395 V396 R401 L417	D395-T399 PolarHBondContact O-N 2.86Å; D395-T399 PolarHBondContact O-OG1 2.93Å; V396-T399 PolarHBondContact O-N 2.9Å; V396-T399 VanDerWaalsContact O-N 3.12Å; T399-R401 VanDerWaalsContact C-N 3.25Å; T399-R401 WeakPolarHBondContact O-CD 3.42Å; T399-R401 PolarHBondContact O-N 3.13Å; T399-L417 HydrophobicContact CG2-CD1 3.87Å
400	D	87.6	Confident	88	Confident	18 Å²	18	68.5 Å²	68.5	10%	0.096	34%	0.34	C	S	.	.	S	Bend	trans	43.8	41.2	166.3	-61.8	-23.4	0	0	0	115.3	R398 T402 N403 Y406 S442 K518 R519	R398-D400 PolarHBondContact O-N 3.18Å; D400-T402 PolarHBondContact O-N 3.02Å; D400-N403 HydrophobicContact CB-CB 4.16Å; D400-N403 VanDerWaalsContact O-CB 3.25Å; D400-N403 WeakPolarHBondContact O-CB 3.25Å; D400-N403 PolarHBondContact O-N 3.46Å; D400-Y406 HydrophobicContact CB-CD2 3.84Å; D400-Y406 HydrophobicContact CB-CE2 4.43Å; D400-S442 WeakPolarHBondContact OD2-CB 3.41Å; D400-S442 PolarHBondContact OD2-OG 2.92Å; D400-K518 IonicContact OD1-NZ 3.49Å; D400-K518 PolarHBondContact OD1-NZ 3.37Å; D400-K518 VanDerWaalsContact OD2-CE 3.28Å; D400-K518 WeakPolarHBondContact OD2-CE 3.31Å; D400-K518 IonicContact OD2-NZ 2.59Å; D400-K518 PolarHBondContact OD2-NZ 2.98Å; D400-R519 IonicContact OD1-NH1 3.18Å; D400-R519 PolarHBondContact OD1-NH1 3.14Å
401	R	89.8	Confident	88.3	Confident	89 Å²	89	67.9 Å²	67.9	34%	0.336	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.1	-174.3	-60.8	-57	-64.2	-94.7	2.1	114.7	N397 T399 Y406 E407 G408	N397-R401 PolarHBondContact O-NH1 2.96Å; T399-R401 VanDerWaalsContact C-N 3.25Å; T399-R401 WeakPolarHBondContact O-CD 3.42Å; T399-R401 PolarHBondContact O-N 3.13Å; R401-Y406 PolarHBondContact NE-O 2.99Å; R401-E407 WeakPolarHBondContact O-CB 3.34Å; R401-G408 PolarHBondContact NH2-O 3.17Å
402	T	89.1	Confident	88.8	Confident	140 Å²	140	72.1 Å²	72.1	86%	0.859	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.1	171.5	56.8	0	0	0	0	113.3	D400	D400-T402 PolarHBondContact O-N 3.02Å
403	N	89.5	Confident	89.1	Confident	25 Å²	25	72.4 Å²	72.4	13%	0.134	37%	0.366	C	S	.	.	S	Bend	trans	-83.6	131.6	174.8	-174.6	-46.4	0	0	0	109.9	D400 F405 Y406 E407 F523	D400-N403 HydrophobicContact CB-CB 4.16Å; D400-N403 VanDerWaalsContact O-CB 3.25Å; D400-N403 WeakPolarHBondContact O-CB 3.25Å; D400-N403 PolarHBondContact O-N 3.46Å; N403-F405 PolarHBondContact O-N 2.87Å; N403-F405 WeakPolarHBondContact OD1-CB 3.25Å; N403-F405 PolarHBondContact OD1-N 3.42Å; N403-Y406 HydrophobicContact CB-CD2 4.25Å; N403-Y406 CarbonylContact O-C 3.58Å; N403-Y406 PolarHBondContact O-N 3.22Å; N403-E407 PolarHBondContact O-N 3.42Å; N403-F523 WeakPolarHBondContact ND2-CD2 3.38Å; N403-F523 WeakPolarHBondContact ND2-CE2 3.45Å
404	R	91.8	Very high	89.4	Confident	215 Å²	215	69.1 Å²	69.1	81%	0.811	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-28	179.9	-67	-171.3	179.2	172.8	1.1	114.8	Y406	R404-Y406 VanDerWaalsContact C-N 3.32Å
405	F	92.4	Very high	89.9	Confident	48 Å²	48	67.6 Å²	67.6	21%	0.211	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-31.7	177.7	-170.8	-84.3	0	0	0	112.2	N403 N411 L445 F446 E449	N403-F405 PolarHBondContact O-N 2.87Å; N403-F405 WeakPolarHBondContact OD1-CB 3.25Å; N403-F405 PolarHBondContact OD1-N 3.42Å; F405-N411 PolarHBondContact O-ND2 3.19Å; F405-N411 PolarHBondContact O-OD1 3.29Å; F405-N411 VanDerWaalsContact O-OD1 3.09Å; F405-L445 HydrophobicContact CE1-CD2 4.15Å; F405-L445 HydrophobicContact CE1-CG 4Å; F405-L445 HydrophobicContact CZ-CG 4.09Å; F405-F446 HydrophobicContact CB-CD2 3.64Å; F405-F446 HydrophobicContact CB-CE2 4.08Å; F405-F446 AromaticContact CD2-CD2 3.91Å; F405-F446 HydrophobicContact CD2-CD2 3.91Å; F405-F446 AromaticContact CG-CD2 3.85Å; F405-F446 HydrophobicContact CG-CD2 3.85Å; F405-E449 HydrophobicContact CE2-CG 4.29Å
406	Y	93.3	Very high	90.5	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-5.1	-175.5	-58.2	-66.3	0	0	0	114.2	D400 R401 N403 R404 N411 L414 L417 S442 L445	D400-Y406 HydrophobicContact CB-CD2 3.84Å; D400-Y406 HydrophobicContact CB-CE2 4.43Å; R401-Y406 PolarHBondContact NE-O 2.99Å; N403-Y406 HydrophobicContact CB-CD2 4.25Å; N403-Y406 CarbonylContact O-C 3.58Å; N403-Y406 PolarHBondContact O-N 3.22Å; R404-Y406 VanDerWaalsContact C-N 3.32Å; Y406-N411 VanDerWaalsContact C-ND2 3.33Å; Y406-N411 WeakPolarHBondContact CA-ND2 3.29Å; Y406-L414 HydrophobicContact CD1-CD2 3.82Å; Y406-L414 HydrophobicContact CD1-CG 4.42Å; Y406-L414 HydrophobicContact CG-CD2 4.28Å; Y406-L417 HydrophobicContact CD1-CD1 3.87Å; Y406-L417 HydrophobicContact CE1-CD1 3.41Å; Y406-L417 VanDerWaalsContact CE1-CD1 3.41Å; Y406-L417 HydrophobicContact CE1-CD2 4.45Å; Y406-L417 HydrophobicContact CE1-CG 3.73Å; Y406-S442 WeakPolarHBondContact CE2-OG 3.32Å; Y406-S442 WeakPolarHBondContact OH-CA 3.48Å; Y406-S442 PolarHBondContact OH-O 2.98Å; Y406-L445 HydrophobicContact CE1-CD2 4.27Å
407	E	89.9	Confident	90.8	Very high	94 Å²	94	69.5 Å²	69.5	44%	0.439	36%	0.361	S	S	.	.			trans	-69.7	156.1	-180	80.2	-175.1	172.7	0	0	112.6	R401 N403 N411	R401-E407 WeakPolarHBondContact O-CB 3.34Å; N403-E407 PolarHBondContact O-N 3.42Å; E407-N411 PolarHBondContact O-ND2 3.25Å
408	G	84.8	Confident	91.3	Very high	44 Å²	44	66.3 Å²	66.3	45%	0.454	34%	0.342	S	S	.	.	S	Bend	trans	93.2	163	176.9	0	0	0	0	0	115	R401	R401-G408 PolarHBondContact NH2-O 3.17Å
409	L	82.6	Confident	92	Very high	163 Å²	163	62.3 Å²	62.3	85%	0.853	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	141	176.3	-63.4	170.4	0	0	0	109.7	N411	L409-N411 VanDerWaalsContact C-N 3.29Å; L409-N411 PolarHBondContact O-N 3.24Å
410	N	85.8	Confident	92.6	Very high	162 Å²	162	62.3 Å²	62.3	87%	0.866	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	44.5	-179.5	-59.2	-24.4	0	0	0	113.3
411	N	92.6	Very high	93.2	Very high	18 Å²	18	61.5 Å²	61.5	10%	0.096	32%	0.324	C	S	.	.			trans	-68.2	126.8	-178.2	177.8	-72.9	0	0	0	111.4	F405 Y406 E407 L409 G413 L414 T415	F405-N411 PolarHBondContact O-ND2 3.19Å; F405-N411 PolarHBondContact O-OD1 3.29Å; F405-N411 VanDerWaalsContact O-OD1 3.09Å; Y406-N411 VanDerWaalsContact C-ND2 3.33Å; Y406-N411 WeakPolarHBondContact CA-ND2 3.29Å; E407-N411 PolarHBondContact O-ND2 3.25Å; L409-N411 VanDerWaalsContact C-N 3.29Å; L409-N411 PolarHBondContact O-N 3.24Å; N411-G413 VanDerWaalsContact C-N 3.28Å; N411-G413 PolarHBondContact O-N 2.5Å; N411-G413 WeakPolarHBondContact OD1-CA 3.45Å; N411-G413 PolarHBondContact OD1-N 3.2Å; N411-L414 HydrophobicContact CB-CB 4.46Å; N411-L414 HydrophobicContact CB-CD1 4.04Å; N411-L414 HydrophobicContact CB-CG 4Å; N411-L414 WeakPolarHBondContact O-CB 2.98Å; N411-L414 PolarHBondContact O-N 2.94Å; N411-L414 VanDerWaalsContact O-N 3.13Å; N411-L414 PolarHBondContact OD1-N 3.3Å; N411-L414 VanDerWaalsContact OD1-N 3.13Å; N411-T415 PolarHBondContact O-N 2.7Å
412	P	94.9	Very high	93.6	Very high	96 Å²	96	57.4 Å²	57.4	62%	0.623	31%	0.309	S	S	*	.	H	α-helix	trans	-60.2	-33.2	179.3	-25.2	34.3	0	0	0	114.3	L414 T415 L416	P412-L414 VanDerWaalsContact C-N 3.32Å; P412-L414 PolarHBondContact O-N 3.47Å; P412-T415 WeakPolarHBondContact O-CB 3.39Å; P412-T415 PolarHBondContact O-N 3.03Å; P412-L416 WeakPolarHBondContact O-CG 3.39Å; P412-L416 PolarHBondContact O-N 3.45Å
413	G	96	Very high	94.1	Very high	6 Å²	6	50.8 Å²	50.8	6%	0.062	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-36.3	175.3	0	0	0	0	0	112.8	N411 L416 L417	N411-G413 VanDerWaalsContact C-N 3.28Å; N411-G413 PolarHBondContact O-N 2.5Å; N411-G413 WeakPolarHBondContact OD1-CA 3.45Å; N411-G413 PolarHBondContact OD1-N 3.2Å; G413-L416 PolarHBondContact O-N 2.94Å; G413-L417 PolarHBondContact O-N 3.43Å
414	L	95.5	Very high	94.5	Very high	16 Å²	16	49.6 Å²	49.6	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-38.4	172.8	-63.7	-179.5	0	0	0	111.7	V396 Y406 N411 P412 L416 L417 H418	V396-L414 HydrophobicContact CG1-CB 3.91Å; V396-L414 HydrophobicContact CG1-CD2 4.06Å; V396-L414 VanDerWaalsContact CG1-O 3.29Å; V396-L414 WeakPolarHBondContact CG1-O 3.35Å; V396-L414 WeakPolarHBondContact O-CD2 3.46Å; Y406-L414 HydrophobicContact CD1-CD2 3.82Å; Y406-L414 HydrophobicContact CD1-CG 4.42Å; Y406-L414 HydrophobicContact CG-CD2 4.28Å; N411-L414 HydrophobicContact CB-CB 4.46Å; N411-L414 HydrophobicContact CB-CD1 4.04Å; N411-L414 HydrophobicContact CB-CG 4Å; N411-L414 WeakPolarHBondContact O-CB 2.98Å; N411-L414 PolarHBondContact O-N 2.94Å; N411-L414 VanDerWaalsContact O-N 3.13Å; N411-L414 PolarHBondContact OD1-N 3.3Å; N411-L414 VanDerWaalsContact OD1-N 3.13Å; P412-L414 VanDerWaalsContact C-N 3.32Å; P412-L414 PolarHBondContact O-N 3.47Å; L414-L416 VanDerWaalsContact C-N 3.33Å; L414-L417 HydrophobicContact CD2-CD1 4.18Å; L414-L417 PolarHBondContact O-N 3.43Å; L414-H418 PolarHBondContact O-N 3.46Å
415	T	97.1	Very high	94.8	Very high	80 Å²	80	39.4 Å²	39.4	49%	0.491	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-41.7	173.2	-53.3	0	0	0	0	111.5	N411 P412 H418 D419	N411-T415 PolarHBondContact O-N 2.7Å; P412-T415 WeakPolarHBondContact O-CB 3.39Å; P412-T415 PolarHBondContact O-N 3.03Å; T415-H418 PolarHBondContact O-N 3.41Å; T415-D419 WeakPolarHBondContact O-CB 3.5Å; T415-D419 PolarHBondContact O-N 3.21Å
416	L	98.4	Very high	95.1	Very high	47 Å²	47	38.7 Å²	38.7	25%	0.246	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-43	175.1	-69.8	176.3	0	0	0	112	P412 G413 L414 H418 D419 I420 L445 E451	P412-L416 WeakPolarHBondContact O-CG 3.39Å; P412-L416 PolarHBondContact O-N 3.45Å; G413-L416 PolarHBondContact O-N 2.94Å; L414-L416 VanDerWaalsContact C-N 3.33Å; L416-H418 VanDerWaalsContact C-N 3.35Å; L416-H418 PolarHBondContact O-N 2.89Å; L416-D419 PolarHBondContact O-N 3.1Å; L416-I420 WeakPolarHBondContact O-CB 2.92Å; L416-I420 WeakPolarHBondContact O-CD1 2.87Å; L416-I420 WeakPolarHBondContact O-CG1 3.19Å; L416-I420 PolarHBondContact O-N 3.48Å; L416-L445 HydrophobicContact CB-CD1 4.19Å; L416-L445 HydrophobicContact CB-CD2 3.76Å; L416-L445 HydrophobicContact CD1-CD1 4.27Å; L416-E451 HydrophobicContact CD2-CB 3.88Å; L416-E451 HydrophobicContact CD2-CG 3.87Å
417	L	98.1	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-55.6	-50.7	173.6	-81.7	178.4	0	0	0	111.2	V396 T399 Y406 G413 L414 L421 L441 L445	V396-L417 HydrophobicContact CG1-CB 4.21Å; V396-L417 HydrophobicContact CG2-CB 3.98Å; T399-L417 HydrophobicContact CG2-CD1 3.87Å; Y406-L417 HydrophobicContact CD1-CD1 3.87Å; Y406-L417 HydrophobicContact CE1-CD1 3.41Å; Y406-L417 VanDerWaalsContact CE1-CD1 3.41Å; Y406-L417 HydrophobicContact CE1-CD2 4.45Å; Y406-L417 HydrophobicContact CE1-CG 3.73Å; G413-L417 PolarHBondContact O-N 3.43Å; L414-L417 HydrophobicContact CD2-CD1 4.18Å; L414-L417 PolarHBondContact O-N 3.43Å; L417-L421 WeakPolarHBondContact O-CB 3.33Å; L417-L421 VanDerWaalsContact O-CG 3.24Å; L417-L421 WeakPolarHBondContact O-CG 3.44Å; L417-L421 PolarHBondContact O-N 3.5Å; L417-L441 HydrophobicContact CD2-CB 4.12Å; L417-L441 HydrophobicContact CD2-CD2 3.55Å; L417-L441 HydrophobicContact CD2-CG 3.59Å; L417-L445 HydrophobicContact CB-CD2 4.44Å; L417-L445 HydrophobicContact CD2-CB 4.48Å; L417-L445 HydrophobicContact CD2-CD2 3.76Å; L417-L445 HydrophobicContact CG-CD2 3.73Å
418	H	98.6	Very high	95.8	Very high	35 Å²	35	40 Å²	40	16%	0.162	23%	0.225	C	C	.	.	H	α-helix	trans	-57.3	-51.7	177.8	169.4	-82.5	0	0	0	111.7	W371 I392 V396 L414 T415 L416 I420 L421 M422	W371-H418 AromaticContact CH2-CE1 3.68Å; W371-H418 AromaticContact CZ3-CE1 3.9Å; I392-H418 HydrophobicContact CG2-CB 4.41Å; V396-H418 HydrophobicContact CG1-CB 4.44Å; V396-H418 HydrophobicContact CG2-CB 4.38Å; L414-H418 PolarHBondContact O-N 3.46Å; T415-H418 PolarHBondContact O-N 3.41Å; L416-H418 VanDerWaalsContact C-N 3.35Å; L416-H418 PolarHBondContact O-N 2.89Å; H418-I420 PolarHBondContact O-N 3.16Å; H418-L421 PolarHBondContact O-N 3.06Å; H418-M422 WeakPolarHBondContact O-CB 3.41Å; H418-M422 WeakPolarHBondContact O-CG 3.33Å; H418-M422 PolarHBondContact O-N 3.13Å
419	D	98.8	Very high	96.3	Very high	12 Å²	12	41 Å²	41	6%	0.064	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-36.7	-174.8	-81.7	14.8	0	0	0	112.4	K368 W371 K372 T415 L416 T423 E451	K368-D419 WeakPolarHBondContact CE-OD2 3.34Å; K368-D419 IonicContact NZ-OD2 3.82Å; K368-D419 PolarHBondContact NZ-OD2 3.17Å; W371-D419 WeakPolarHBondContact CH2-OD1 3.24Å; W371-D419 HydrophobicContact CZ2-CB 4.11Å; K372-D419 VanDerWaalsContact CE-OD2 3.31Å; K372-D419 WeakPolarHBondContact CE-OD2 3.39Å; K372-D419 IonicContact NZ-OD1 3.98Å; K372-D419 IonicContact NZ-OD2 2.71Å; K372-D419 PolarHBondContact NZ-OD2 3.27Å; T415-D419 WeakPolarHBondContact O-CB 3.5Å; T415-D419 PolarHBondContact O-N 3.21Å; L416-D419 PolarHBondContact O-N 3.1Å; D419-T423 WeakPolarHBondContact O-CB 3.23Å; D419-T423 PolarHBondContact O-N 3.14Å; D419-T423 PolarHBondContact O-OG1 3.2Å; D419-E451 WeakPolarHBondContact CB-OE1 3.36Å
420	I	98.9	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-47.7	175.7	-68.5	166.6	0	0	0	110.6	L416 H418 M422 T423 Y424 L441 L445 E451 A454 F455	L416-I420 WeakPolarHBondContact O-CB 2.92Å; L416-I420 WeakPolarHBondContact O-CD1 2.87Å; L416-I420 WeakPolarHBondContact O-CG1 3.19Å; L416-I420 PolarHBondContact O-N 3.48Å; H418-I420 PolarHBondContact O-N 3.16Å; I420-M422 PolarHBondContact O-N 3.31Å; I420-T423 CarbonylContact O-C 3.57Å; I420-T423 PolarHBondContact O-N 3.39Å; I420-T423 VanDerWaalsContact O-N 3.16Å; I420-Y424 PolarHBondContact O-N 3.39Å; I420-L441 HydrophobicContact CB-CD2 3.8Å; I420-L441 HydrophobicContact CD1-CD1 4.43Å; I420-L441 HydrophobicContact CD1-CD2 4.48Å; I420-L441 HydrophobicContact CG2-CD1 3.8Å; I420-L441 HydrophobicContact CG2-CD2 3.52Å; I420-L441 HydrophobicContact CG2-CG 4.33Å; I420-L445 HydrophobicContact CD1-CD1 3.82Å; I420-L445 HydrophobicContact CD1-CD2 4.37Å; I420-E451 HydrophobicContact CD1-CG 4.11Å; I420-E451 HydrophobicContact CG1-CG 3.72Å; I420-A454 HydrophobicContact CD1-CB 3.76Å; I420-F455 HydrophobicContact CG2-CB 4.07Å; I420-F455 HydrophobicContact CG2-CD2 4.08Å
421	L	98.8	Very high	97	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-42.1	179.8	-68.3	168.7	0	0	0	111.8	I392 V396 L417 H418 T423 Y424 C425 Y433 M437 L441 F458	I392-L421 HydrophobicContact CD1-CB 3.77Å; I392-L421 HydrophobicContact CG1-CB 3.89Å; I392-L421 HydrophobicContact CG1-CD1 4.44Å; I392-L421 HydrophobicContact CG2-CB 3.88Å; I392-L421 HydrophobicContact CG2-CD1 3.96Å; V396-L421 HydrophobicContact CG2-CD1 3.94Å; L417-L421 WeakPolarHBondContact O-CB 3.33Å; L417-L421 VanDerWaalsContact O-CG 3.24Å; L417-L421 WeakPolarHBondContact O-CG 3.44Å; L417-L421 PolarHBondContact O-N 3.5Å; H418-L421 PolarHBondContact O-N 3.06Å; L421-T423 VanDerWaalsContact C-N 3.28Å; L421-T423 PolarHBondContact O-N 2.91Å; L421-Y424 WeakPolarHBondContact O-CB 3.21Å; L421-Y424 PolarHBondContact O-N 2.76Å; L421-Y424 VanDerWaalsContact O-N 3.15Å; L421-C425 PolarHBondContact O-N 3.2Å; L421-C425 VanDerWaalsContact O-N 3.09Å; L421-C425 PolarHBondContact O-SG 3.17Å; L421-C425 VanDerWaalsContact O-SG 3.41Å; L421-Y433 HydrophobicContact CB-CD2 4.36Å; L421-Y433 HydrophobicContact CD1-CD2 4.38Å; L421-Y433 HydrophobicContact CD1-CE2 3.72Å; L421-Y433 HydrophobicContact CD2-CD2 4Å; L421-Y433 HydrophobicContact CD2-CE2 3.78Å; L421-Y433 HydrophobicContact CG-CD2 4.46Å; L421-Y433 HydrophobicContact CG-CE2 4.2Å; L421-M437 HydrophobicContact CD2-CB 4.33Å; L421-L441 HydrophobicContact CD1-CD2 4.41Å; L421-L441 HydrophobicContact CD2-CB 4.48Å; L421-L441 HydrophobicContact CD2-CD2 3.84Å; L421-L441 HydrophobicContact CG-CD2 3.72Å; L421-F458 HydrophobicContact CD2-CE1 4.13Å; L421-F458 HydrophobicContact CD2-CZ 4.07Å
422	M	98.8	Very high	97.1	Very high	4 Å²	4	32 Å²	32	2%	0.02	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-35.9	174.1	-75.1	-60.9	-61.7	0	0	112.4	W371 L385 K389 I392 H418 I420 Y424 C425	W371-M422 HydrophobicContact CB-CE 4.31Å; W371-M422 HydrophobicContact CD2-CB 3.65Å; W371-M422 HydrophobicContact CD2-CE 4.16Å; W371-M422 HydrophobicContact CD2-CG 4.42Å; W371-M422 VanDerWaalsContact CE2-CB 3.47Å; W371-M422 HydrophobicContact CE3-CB 4.03Å; W371-M422 HydrophobicContact CE3-CE 3.85Å; W371-M422 HydrophobicContact CE3-CG 4.31Å; W371-M422 HydrophobicContact CG-CB 4.11Å; W371-M422 HydrophobicContact CG-CE 4.39Å; W371-M422 HydrophobicContact CH2-CB 4.04Å; W371-M422 HydrophobicContact CH2-CG 4.28Å; W371-M422 HydrophobicContact CZ2-CB 3.7Å; W371-M422 HydrophobicContact CZ2-CG 4.42Å; W371-M422 HydrophobicContact CZ3-CB 4.21Å; W371-M422 HydrophobicContact CZ3-CE 4.46Å; W371-M422 HydrophobicContact CZ3-CG 4.23Å; L385-M422 HydrophobicContact CD1-CE 3.85Å; K389-M422 HydrophobicContact CB-CE 4.03Å; K389-M422 HydrophobicContact CB-SD 3.8Å; K389-M422 HydrophobicContact CD-CE 4.43Å; K389-M422 HydrophobicContact CG-CE 4.21Å; K389-M422 HydrophobicContact CG-SD 4Å; I392-M422 HydrophobicContact CD1-CG 4.04Å; I392-M422 HydrophobicContact CD1-SD 3.52Å; I392-M422 VanDerWaalsContact CD1-SD 3.52Å; H418-M422 WeakPolarHBondContact O-CB 3.41Å; H418-M422 WeakPolarHBondContact O-CG 3.33Å; H418-M422 PolarHBondContact O-N 3.13Å; I420-M422 PolarHBondContact O-N 3.31Å; M422-Y424 VanDerWaalsContact C-N 3.35Å; M422-C425 WeakPolarHBondContact O-CB 3.33Å; M422-C425 PolarHBondContact O-N 2.9Å
423	T	98.9	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-70.6	-33.8	175.1	-52.8	0	0	0	0	111.3	Y364 M367 K368 W371 D419 I420 L421 C425 M426 Y427 F455	Y364-T423 HydrophobicContact CD2-CG2 3.75Å; Y364-T423 HydrophobicContact CE2-CG2 3.52Å; M367-T423 HydrophobicContact CB-CG2 3.81Å; K368-T423 HydrophobicContact CB-CG2 4.14Å; W371-T423 PolarHBondContact NE1-OG1 3.02Å; D419-T423 WeakPolarHBondContact O-CB 3.23Å; D419-T423 PolarHBondContact O-N 3.14Å; D419-T423 PolarHBondContact O-OG1 3.2Å; I420-T423 CarbonylContact O-C 3.57Å; I420-T423 PolarHBondContact O-N 3.39Å; I420-T423 VanDerWaalsContact O-N 3.16Å; L421-T423 VanDerWaalsContact C-N 3.28Å; L421-T423 PolarHBondContact O-N 2.91Å; T423-C425 VanDerWaalsContact C-N 3.34Å; T423-C425 PolarHBondContact O-N 2.76Å; T423-M426 WeakPolarHBondContact O-CB 3.35Å; T423-M426 PolarHBondContact O-N 3.45Å; T423-Y427 PolarHBondContact O-N 2.94Å; T423-F455 HydrophobicContact CG2-CD2 4.21Å; T423-F455 HydrophobicContact CG2-CE2 3.83Å; T423-F455 HydrophobicContact CG2-CZ 4.28Å
424	Y	98.9	Very high	96.6	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-39.1	174.1	-176.1	-88.9	0	0	0	111.7	I420 L421 M422 M426 Y427 D428 L431 G432 M437 F458 V459 M462	I420-Y424 PolarHBondContact O-N 3.39Å; L421-Y424 WeakPolarHBondContact O-CB 3.21Å; L421-Y424 PolarHBondContact O-N 2.76Å; L421-Y424 VanDerWaalsContact O-N 3.15Å; M422-Y424 VanDerWaalsContact C-N 3.35Å; Y424-M426 PolarHBondContact O-N 3.31Å; Y424-M426 VanDerWaalsContact O-N 3.13Å; Y424-Y427 HydrophobicContact CD2-CD1 4.43Å; Y424-Y427 HydrophobicContact CE2-CD1 4.18Å; Y424-Y427 WeakPolarHBondContact O-CA 3.48Å; Y424-Y427 WeakPolarHBondContact O-CB 3.36Å; Y424-Y427 PolarHBondContact O-N 3.38Å; Y424-D428 HydrophobicContact CE1-CB 4.32Å; Y424-D428 PolarHBondContact O-N 2.92Å; Y424-L431 HydrophobicContact CE1-CD2 3.66Å; Y424-G432 WeakPolarHBondContact CD1-O 3.23Å; Y424-M437 HydrophobicContact CD1-CE 3.48Å; Y424-M437 VanDerWaalsContact CD1-CE 3.48Å; Y424-M437 HydrophobicContact CE1-CE 3.39Å; Y424-M437 HydrophobicContact CG-CE 4.38Å; Y424-F458 HydrophobicContact CD1-CE1 4.29Å; Y424-F458 AromaticContact CD2-CD1 3.85Å; Y424-F458 HydrophobicContact CD2-CD1 3.85Å; Y424-F458 AromaticContact CD2-CE1 3.7Å; Y424-F458 HydrophobicContact CD2-CE1 3.7Å; Y424-F458 HydrophobicContact CE2-CD1 4.42Å; Y424-F458 HydrophobicContact CE2-CE1 4.18Å; Y424-F458 HydrophobicContact CG-CD1 4.26Å; Y424-F458 AromaticContact CG-CE1 3.77Å; Y424-F458 HydrophobicContact CG-CE1 3.77Å; Y424-V459 HydrophobicContact CD2-CG2 3.91Å; Y424-V459 HydrophobicContact CE2-CG2 4.1Å; Y424-M462 HydrophobicContact CE2-CB 3.86Å; Y424-M462 HydrophobicContact CE2-CG 3.92Å; Y424-M462 VanDerWaalsContact OH-CB 3.32Å; Y424-M462 WeakPolarHBondContact OH-CB 3.02Å
425	C	98.5	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.6	-28.2	171.9	-61.9	0	0	0	0	113.2	L421 M422 T423 D428 F429	L421-C425 PolarHBondContact O-N 3.2Å; L421-C425 VanDerWaalsContact O-N 3.09Å; L421-C425 PolarHBondContact O-SG 3.17Å; L421-C425 VanDerWaalsContact O-SG 3.41Å; M422-C425 WeakPolarHBondContact O-CB 3.33Å; M422-C425 PolarHBondContact O-N 2.9Å; T423-C425 VanDerWaalsContact C-N 3.34Å; T423-C425 PolarHBondContact O-N 2.76Å; C425-D428 CarbonylContact O-C 3.41Å; C425-F429 WeakPolarHBondContact O-CA 3.44Å; C425-F429 WeakPolarHBondContact O-CB 3.37Å; C425-F429 WeakPolarHBondContact O-CD2 3.3Å; C425-F429 PolarHBondContact O-N 2.64Å
426	M	98.5	Very high	95.2	Very high	34 Å²	34	26.4 Å²	26.4	17%	0.167	13%	0.13	C	C	.	.	H	α-helix	trans	-82.2	-24	175.5	-62.3	-61.6	96.9	0	0	112.7	M367 Q370 W371 L385 T423 Y424 F429	M367-M426 HydrophobicContact CB-CB 4.27Å; Q370-M426 HydrophobicContact CB-CG 4.15Å; Q370-M426 HydrophobicContact CB-SD 3.99Å; W371-M426 HydrophobicContact CB-CE 4.27Å; W371-M426 HydrophobicContact CB-CG 3.78Å; W371-M426 HydrophobicContact CB-SD 3.89Å; W371-M426 HydrophobicContact CG-CG 4.23Å; L385-M426 HydrophobicContact CD1-CE 3.74Å; T423-M426 WeakPolarHBondContact O-CB 3.35Å; T423-M426 PolarHBondContact O-N 3.45Å; Y424-M426 PolarHBondContact O-N 3.31Å; Y424-M426 VanDerWaalsContact O-N 3.13Å; M426-F429 HydrophobicContact CE-CD2 3.79Å; M426-F429 HydrophobicContact CE-CE2 3.95Å
427	Y	98.7	Very high	95	Very high	91 Å²	91	24.2 Å²	24.2	36%	0.357	12%	0.118	S	C	.	.	H	α-helix	trans	-76.2	-48.1	175.3	177.4	-94.5	0	0	0	111.3	M367 T423 Y424 F455 W456 V459	M367-Y427 HydrophobicContact CE-CD2 4.07Å; M367-Y427 HydrophobicContact SD-CD2 3.82Å; M367-Y427 HydrophobicContact SD-CG 4.38Å; T423-Y427 PolarHBondContact O-N 2.94Å; Y424-Y427 HydrophobicContact CD2-CD1 4.43Å; Y424-Y427 HydrophobicContact CE2-CD1 4.18Å; Y424-Y427 WeakPolarHBondContact O-CA 3.48Å; Y424-Y427 WeakPolarHBondContact O-CB 3.36Å; Y424-Y427 PolarHBondContact O-N 3.38Å; Y427-F455 HydrophobicContact CD2-CZ 4.31Å; Y427-F455 HydrophobicContact CG-CZ 4.2Å; Y427-W456 HydrophobicContact CD2-CH2 4.44Å; Y427-W456 HydrophobicContact CD2-CZ3 4.46Å; Y427-W456 HydrophobicContact CE2-CH2 4.16Å; Y427-W456 AromaticContact CE2-CZ3 3.9Å; Y427-W456 HydrophobicContact CE2-CZ3 3.9Å; Y427-V459 HydrophobicContact CD1-CG1 4.27Å; Y427-V459 HydrophobicContact CD1-CG2 4.11Å; Y427-V459 HydrophobicContact CE1-CB 4.48Å; Y427-V459 HydrophobicContact CE1-CG1 3.5Å; Y427-V459 VanDerWaalsContact CE1-CG1 3.5Å; Y427-V459 HydrophobicContact CE1-CG2 4.17Å; Y427-V459 HydrophobicContact CE2-CG1 4.27Å; Y427-V459 HydrophobicContact CG-CG2 4.37Å; Y427-V459 VanDerWaalsContact CZ-CG1 3.5Å; Y427-V459 WeakPolarHBondContact OH-CG1 3.02Å
428	D	98	Very high	94.9	Very high	30 Å²	30	24.2 Å²	24.2	16%	0.16	12%	0.118	C	C	.	.			trans	-128.6	95	173.5	-172.9	-16.9	0	0	0	109.1	Y424 C425 D430 L431 G432 H466	Y424-D428 HydrophobicContact CE1-CB 4.32Å; Y424-D428 PolarHBondContact O-N 2.92Å; C425-D428 CarbonylContact O-C 3.41Å; D428-D430 PolarHBondContact OD1-N 2.87Å; D428-L431 HydrophobicContact CB-CB 4.42Å; D428-L431 PolarHBondContact OD1-N 3.22Å; D428-G432 WeakPolarHBondContact O-CA 3.47Å; D428-G432 PolarHBondContact O-N 2.92Å; D428-H466 IonicContact OD2-CD2 3.31Å; D428-H466 IonicContact OD2-CE1 3.85Å; D428-H466 IonicContact OD2-NE2 2.78Å; D428-H466 PolarHBondContact OD2-NE2 3.04Å
429	F	96.6	Very high	94.7	Very high	66 Å²	66	22.9 Å²	22.9	29%	0.289	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-18.6	-178.4	-166.1	-99.5	0	0	0	113	R384 L385 Y388 C425 M426	R384-F429 HydrophobicContact CB-CE1 4.37Å; R384-F429 HydrophobicContact CB-CZ 4.13Å; L385-F429 HydrophobicContact CB-CE2 4.23Å; L385-F429 HydrophobicContact CB-CZ 4.38Å; L385-F429 HydrophobicContact CD1-CE2 4.42Å; Y388-F429 HydrophobicContact CE2-CE2 4.39Å; Y388-F429 PolarHBondContact OH-O 3.18Å; C425-F429 WeakPolarHBondContact O-CA 3.44Å; C425-F429 WeakPolarHBondContact O-CB 3.37Å; C425-F429 WeakPolarHBondContact O-CD2 3.3Å; C425-F429 PolarHBondContact O-N 2.64Å; M426-F429 HydrophobicContact CE-CD2 3.79Å; M426-F429 HydrophobicContact CE-CE2 3.95Å
430	D	91.8	Very high	94.6	Very high	139 Å²	139	22.3 Å²	22.3	74%	0.743	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-42.4	177.6	-73.7	-30.2	0	0	0	110.1	D428	D428-D430 PolarHBondContact OD1-N 2.87Å
431	L	91.5	Very high	94.6	Very high	13 Å²	13	22.3 Å²	22.3	7%	0.068	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-51.8	169.5	-166	114.9	0	0	0	111.3	Y424 D428 Y433 M437 M462 F469	Y424-L431 HydrophobicContact CE1-CD2 3.66Å; D428-L431 HydrophobicContact CB-CB 4.42Å; D428-L431 PolarHBondContact OD1-N 3.22Å; L431-Y433 PolarHBondContact O-N 3.17Å; L431-M437 HydrophobicContact CD2-CE 3.9Å; L431-M437 HydrophobicContact CD2-SD 3.89Å; L431-M462 HydrophobicContact CD2-CE 3.77Å; L431-F469 HydrophobicContact CD1-CB 3.93Å; L431-F469 HydrophobicContact CD2-CB 4.42Å; L431-F469 HydrophobicContact CG-CB 4.48Å
432	G	94.9	Very high	94.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.			trans	63.6	-114.7	-177.4	0	0	0	0	0	112.7	Y424 D428	Y424-G432 WeakPolarHBondContact CD1-O 3.23Å; D428-G432 WeakPolarHBondContact O-CA 3.47Å; D428-G432 PolarHBondContact O-N 2.92Å
433	Y	93.6	Very high	94.6	Very high	5 Å²	5	22.1 Å²	22.1	2%	0.02	11%	0.108	C	C	.	.			trans	-132.2	136.4	179	-177.5	-93.9	0	0	0	113.1	Y388 L391 I392 D395 L421 L431 M437 S438	Y388-Y433 VanDerWaalsContact CD1-N 3.31Å; L391-Y433 HydrophobicContact CB-CD1 3.55Å; L391-Y433 HydrophobicContact CB-CE1 3.81Å; L391-Y433 HydrophobicContact CD1-CD1 4.44Å; I392-Y433 HydrophobicContact CD1-CD2 4.1Å; I392-Y433 HydrophobicContact CD1-CG 4.01Å; I392-Y433 HydrophobicContact CG1-CD1 3.79Å; I392-Y433 HydrophobicContact CG1-CD2 3.46Å; I392-Y433 VanDerWaalsContact CG1-CD2 3.46Å; I392-Y433 HydrophobicContact CG1-CE1 4.2Å; I392-Y433 HydrophobicContact CG1-CE2 3.89Å; I392-Y433 HydrophobicContact CG1-CG 3.39Å; D395-Y433 WeakPolarHBondContact CB-OH 3.47Å; D395-Y433 VanDerWaalsContact CG-OH 3.29Å; D395-Y433 WeakPolarHBondContact OD2-CE1 3.15Å; D395-Y433 VanDerWaalsContact OD2-CZ 3.31Å; D395-Y433 PolarHBondContact OD2-OH 2.87Å; L421-Y433 HydrophobicContact CB-CD2 4.36Å; L421-Y433 HydrophobicContact CD1-CD2 4.38Å; L421-Y433 HydrophobicContact CD1-CE2 3.72Å; L421-Y433 HydrophobicContact CD2-CD2 4Å; L421-Y433 HydrophobicContact CD2-CE2 3.78Å; L421-Y433 HydrophobicContact CG-CD2 4.46Å; L421-Y433 HydrophobicContact CG-CE2 4.2Å; L431-Y433 PolarHBondContact O-N 3.17Å; Y433-M437 HydrophobicContact CD2-CB 4Å; Y433-M437 HydrophobicContact CD2-CE 4.44Å; Y433-M437 HydrophobicContact CD2-SD 4.2Å; Y433-M437 HydrophobicContact CE2-CB 3.64Å; Y433-S438 WeakPolarHBondContact OH-CB 3.27Å; Y433-S438 PolarHBondContact OH-N 3.09Å; Y433-S438 PolarHBondContact OH-OG 3.25Å
434	V	85.7	Confident	94.6	Very high	26 Å²	26	22.1 Å²	22.1	16%	0.158	11%	0.108	C	C	.	.			trans	-133.3	145.5	174.2	-174.4	0	0	0	0	108.8	F232 M437 F469	F232-V434 HydrophobicContact CE2-CG1 4.21Å; F232-V434 HydrophobicContact CZ-CG1 3.88Å; V434-M437 HydrophobicContact CB-SD 4.14Å; V434-M437 PolarHBondContact N-SD 3.46Å; V434-M437 VanDerWaalsContact O-CB 3.24Å; V434-M437 WeakPolarHBondContact O-CB 3.46Å; V434-M437 VanDerWaalsContact O-CG 3.23Å; V434-M437 WeakPolarHBondContact O-CG 3.47Å; V434-M437 PolarHBondContact O-N 3.4Å; V434-M437 VanDerWaalsContact O-N 3.17Å; V434-F469 HydrophobicContact CB-CB 4.48Å; V434-F469 HydrophobicContact CB-CD1 3.78Å; V434-F469 HydrophobicContact CG1-CD1 3.82Å; V434-F469 HydrophobicContact CG2-CB 4.36Å
435	Q	79.3	Confident	94.6	Very high	47 Å²	47	22 Å²	22	22%	0.22	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	147.7	179.6	-99.7	170.8	-146.9	0	0	107.7	F232 D395 R398	F232-Q435 HydrophobicContact CB-CG 4.31Å; F232-Q435 HydrophobicContact CD1-CB 3.84Å; F232-Q435 HydrophobicContact CD1-CG 3.83Å; F232-Q435 VanDerWaalsContact CD1-NE2 3.29Å; F232-Q435 HydrophobicContact CD2-CB 3.23Å; F232-Q435 HydrophobicContact CD2-CG 2.99Å; F232-Q435 VanDerWaalsContact CD2-OE1 3.26Å; F232-Q435 HydrophobicContact CE1-CB 3.48Å; F232-Q435 VanDerWaalsContact CE1-CB 3.48Å; F232-Q435 HydrophobicContact CE1-CG 4.02Å; F232-Q435 HydrophobicContact CE2-CB 3.01Å; F232-Q435 HydrophobicContact CE2-CG 3.43Å; F232-Q435 VanDerWaalsContact CE2-CG 3.43Å; F232-Q435 HydrophobicContact CG-CB 3.77Å; F232-Q435 HydrophobicContact CG-CG 3.39Å; F232-Q435 HydrophobicContact CZ-CB 3.13Å; F232-Q435 HydrophobicContact CZ-CG 3.91Å; F232-Q435 VanDerWaalsContact CZ-N 3.25Å; D395-Q435 WeakPolarHBondContact OD1-CG 3.28Å; D395-Q435 WeakPolarHBondContact OD2-CA 3.33Å; D395-Q435 WeakPolarHBondContact OD2-CG 3.46Å; R398-Q435 VanDerWaalsContact NH2-CG 3.3Å
436	G	83.6	Confident	94.6	Very high	4 Å²	4	24.1 Å²	24.1	4%	0.041	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	-24.1	-178.2	0	0	0	0	0	110.1	S438 D439 L440 I515	G436-S438 VanDerWaalsContact C-N 3.28Å; G436-S438 PolarHBondContact O-N 2.91Å; G436-D439 CarbonylContact O-C 3.58Å; G436-D439 WeakPolarHBondContact O-CA 3.44Å; G436-D439 VanDerWaalsContact O-CB 3.3Å; G436-D439 WeakPolarHBondContact O-CB 3.35Å; G436-D439 PolarHBondContact O-N 2.9Å; G436-L440 WeakPolarHBondContact O-CG 3.27Å; G436-L440 PolarHBondContact O-N 3.49Å; G436-I515 VanDerWaalsContact CA-CG2 3.42Å
437	M	95.6	Very high	94.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.3	-36.9	172.8	-71.9	176.1	66	0	0	112.2	L421 Y424 L431 Y433 V434 D439 L440 L441 F458 M462 F469	L421-M437 HydrophobicContact CD2-CB 4.33Å; Y424-M437 HydrophobicContact CD1-CE 3.48Å; Y424-M437 VanDerWaalsContact CD1-CE 3.48Å; Y424-M437 HydrophobicContact CE1-CE 3.39Å; Y424-M437 HydrophobicContact CG-CE 4.38Å; L431-M437 HydrophobicContact CD2-CE 3.9Å; L431-M437 HydrophobicContact CD2-SD 3.89Å; Y433-M437 HydrophobicContact CD2-CB 4Å; Y433-M437 HydrophobicContact CD2-CE 4.44Å; Y433-M437 HydrophobicContact CD2-SD 4.2Å; Y433-M437 HydrophobicContact CE2-CB 3.64Å; V434-M437 HydrophobicContact CB-SD 4.14Å; V434-M437 PolarHBondContact N-SD 3.46Å; V434-M437 VanDerWaalsContact O-CB 3.24Å; V434-M437 WeakPolarHBondContact O-CB 3.46Å; V434-M437 VanDerWaalsContact O-CG 3.23Å; V434-M437 WeakPolarHBondContact O-CG 3.47Å; V434-M437 PolarHBondContact O-N 3.4Å; V434-M437 VanDerWaalsContact O-N 3.17Å; M437-D439 VanDerWaalsContact C-N 3.33Å; M437-D439 PolarHBondContact O-N 3Å; M437-L440 PolarHBondContact O-N 3.05Å; M437-L441 WeakPolarHBondContact O-CB 3.35Å; M437-L441 PolarHBondContact O-N 3.41Å; M437-F458 HydrophobicContact CB-CZ 4.1Å; M437-F458 HydrophobicContact CE-CE1 4.1Å; M437-F458 HydrophobicContact CE-CZ 3.85Å; M437-M462 HydrophobicContact CE-CE 3.84Å; M437-M462 HydrophobicContact CE-SD 4.21Å; M437-M462 HydrophobicContact CG-CE 4.06Å; M437-M462 HydrophobicContact CG-SD 4.12Å; M437-M462 HydrophobicContact SD-CE 4.06Å; M437-F469 HydrophobicContact CG-CD1 4.13Å; M437-F469 HydrophobicContact CG-CE1 4.02Å; M437-F469 HydrophobicContact CG-CG 4.49Å; M437-F469 HydrophobicContact CG-CZ 4.31Å
438	S	94.1	Very high	94.6	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.007	9%	0.094	C	C	.	.	H	α-helix	trans	-61.3	-38.7	170.6	49.4	0	0	0	0	113	D395 Y433 G436 L440 L441 S442	D395-S438 WeakPolarHBondContact CB-OG 3.49Å; Y433-S438 WeakPolarHBondContact OH-CB 3.27Å; Y433-S438 PolarHBondContact OH-N 3.09Å; Y433-S438 PolarHBondContact OH-OG 3.25Å; G436-S438 VanDerWaalsContact C-N 3.28Å; G436-S438 PolarHBondContact O-N 2.91Å; S438-L440 VanDerWaalsContact C-N 3.34Å; S438-L441 PolarHBondContact O-N 2.84Å; S438-S442 WeakPolarHBondContact O-CB 3.33Å; S438-S442 PolarHBondContact O-N 3.14Å
439	D	94.4	Very high	94.6	Very high	7 Å²	7	22 Å²	22	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-67.1	-34.2	175.2	-82.3	-42.5	0	0	0	112.7	G436 M437 P443 I515 K518 R519	G436-D439 CarbonylContact O-C 3.58Å; G436-D439 WeakPolarHBondContact O-CA 3.44Å; G436-D439 VanDerWaalsContact O-CB 3.3Å; G436-D439 WeakPolarHBondContact O-CB 3.35Å; G436-D439 PolarHBondContact O-N 2.9Å; M437-D439 VanDerWaalsContact C-N 3.33Å; M437-D439 PolarHBondContact O-N 3Å; D439-P443 WeakPolarHBondContact O-CD 3.43Å; D439-I515 HydrophobicContact CB-CB 4.46Å; D439-I515 HydrophobicContact CB-CG2 4.18Å; D439-K518 HydrophobicContact CB-CG 4.01Å; D439-K518 IonicContact OD1-NZ 2.89Å; D439-R519 IonicContact OD1-CZ 3.97Å; D439-R519 IonicContact OD1-NE 3.88Å; D439-R519 IonicContact OD1-NH1 3.7Å; D439-R519 PolarHBondContact OD1-NH1 3.2Å; D439-R519 VanDerWaalsContact OD1-NH1 3.12Å; D439-R519 IonicContact OD1-NH2 3.03Å; D439-R519 PolarHBondContact OD1-NH2 3.38Å; D439-R519 IonicContact OD2-CZ 2.74Å; D439-R519 VanDerWaalsContact OD2-CZ 3.31Å; D439-R519 IonicContact OD2-NE 2.7Å; D439-R519 IonicContact OD2-NH2 3.28Å; D439-R519 PolarHBondContact OD2-NH2 3.48Å
440	L	98.3	Very high	94.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-70.3	-40.9	173	-65	-173.1	0	0	0	111.8	G436 M437 S438 F458 F461 M462 M465 F469 I515 R516 W530	G436-L440 WeakPolarHBondContact O-CG 3.27Å; G436-L440 PolarHBondContact O-N 3.49Å; M437-L440 PolarHBondContact O-N 3.05Å; S438-L440 VanDerWaalsContact C-N 3.34Å; L440-F458 HydrophobicContact CB-CE2 4.05Å; L440-F461 HydrophobicContact CB-CD1 4.18Å; L440-F461 HydrophobicContact CB-CE1 3.83Å; L440-F461 HydrophobicContact CD1-CE1 4.22Å; L440-F461 HydrophobicContact CD2-CE1 3.69Å; L440-F461 HydrophobicContact CD2-CZ 3.92Å; L440-F461 HydrophobicContact CG-CE1 4.1Å; L440-M462 HydrophobicContact CD1-SD 4.06Å; L440-M465 HydrophobicContact CD1-CG 4.38Å; L440-F469 HydrophobicContact CD1-CE2 3.63Å; L440-F469 HydrophobicContact CD1-CZ 3.67Å; L440-I515 HydrophobicContact CD2-CB 4.4Å; L440-R516 HydrophobicContact CD2-CB 4.47Å; L440-W530 HydrophobicContact CD2-CH2 4.3Å; L440-W530 HydrophobicContact CD2-CZ2 4.15Å; L440-W530 WeakPolarHBondContact O-CH2 3.45Å; L440-W530 WeakPolarHBondContact O-CZ3 3.39Å
441	L	98.8	Very high	95	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-72.6	-35.2	-179.1	177.3	61.9	0	0	0	113	L417 I420 L421 M437 S438 I444 L445 F458	L417-L441 HydrophobicContact CD2-CB 4.12Å; L417-L441 HydrophobicContact CD2-CD2 3.55Å; L417-L441 HydrophobicContact CD2-CG 3.59Å; I420-L441 HydrophobicContact CB-CD2 3.8Å; I420-L441 HydrophobicContact CD1-CD1 4.43Å; I420-L441 HydrophobicContact CD1-CD2 4.48Å; I420-L441 HydrophobicContact CG2-CD1 3.8Å; I420-L441 HydrophobicContact CG2-CD2 3.52Å; I420-L441 HydrophobicContact CG2-CG 4.33Å; L421-L441 HydrophobicContact CD1-CD2 4.41Å; L421-L441 HydrophobicContact CD2-CB 4.48Å; L421-L441 HydrophobicContact CD2-CD2 3.84Å; L421-L441 HydrophobicContact CG-CD2 3.72Å; M437-L441 WeakPolarHBondContact O-CB 3.35Å; M437-L441 PolarHBondContact O-N 3.41Å; S438-L441 PolarHBondContact O-N 2.84Å; L441-I444 WeakPolarHBondContact O-CB 3.49Å; L441-I444 PolarHBondContact O-N 3.48Å; L441-I444 VanDerWaalsContact O-N 3.07Å; L441-L445 HydrophobicContact CD1-CB 4.49Å; L441-L445 PolarHBondContact O-N 2.87Å; L441-F458 HydrophobicContact CB-CD2 3.76Å; L441-F458 HydrophobicContact CB-CE2 3.83Å; L441-F458 HydrophobicContact CB-CG 4.34Å; L441-F458 HydrophobicContact CB-CZ 4.46Å; L441-F458 HydrophobicContact CD1-CB 3.68Å; L441-F458 HydrophobicContact CD1-CD1 4.44Å; L441-F458 HydrophobicContact CD1-CD2 3.94Å; L441-F458 HydrophobicContact CD1-CG 3.76Å; L441-F458 HydrophobicContact CG-CD2 4.4Å
442	S	98.6	Very high	95.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-50.8	-54.3	-174	160.4	0	0	0	0	113.3	D400 Y406 S438 I444 L445 F446	D400-S442 WeakPolarHBondContact OD2-CB 3.41Å; D400-S442 PolarHBondContact OD2-OG 2.92Å; Y406-S442 WeakPolarHBondContact CE2-OG 3.32Å; Y406-S442 WeakPolarHBondContact OH-CA 3.48Å; Y406-S442 PolarHBondContact OH-O 2.98Å; S438-S442 WeakPolarHBondContact O-CB 3.33Å; S438-S442 PolarHBondContact O-N 3.14Å; S442-I444 VanDerWaalsContact C-N 3.31Å; S442-I444 PolarHBondContact O-N 2.79Å; S442-L445 PolarHBondContact O-N 2.89Å; S442-F446 WeakPolarHBondContact O-CB 3.27Å; S442-F446 PolarHBondContact O-N 3.25Å
443	P	98.7	Very high	95.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.1	-31.5	179.4	-21.7	34.9	0	0	0	113.9	D439 V447 K518 F523 V526 L527 W530	D439-P443 WeakPolarHBondContact O-CD 3.43Å; P443-V447 WeakPolarHBondContact O-CG2 3.23Å; P443-V447 PolarHBondContact O-N 3.23Å; P443-V447 VanDerWaalsContact O-N 3.12Å; P443-K518 HydrophobicContact CG-CD 3.84Å; P443-F523 HydrophobicContact CB-CZ 4.2Å; P443-F523 HydrophobicContact CG-CE2 4.3Å; P443-F523 HydrophobicContact CG-CZ 4.34Å; P443-V526 HydrophobicContact CG-CG1 4.17Å; P443-L527 HydrophobicContact CB-CD2 3.67Å; P443-W530 HydrophobicContact CB-CE3 4.13Å; P443-W530 HydrophobicContact CB-CH2 4.11Å; P443-W530 HydrophobicContact CB-CZ3 3.55Å; P443-W530 HydrophobicContact CG-CE3 4.4Å; P443-W530 HydrophobicContact CG-CH2 3.53Å; P443-W530 HydrophobicContact CG-CZ2 4.43Å; P443-W530 HydrophobicContact CG-CZ3 3.53Å
444	I	98.8	Very high	95.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.6	-49.2	176.5	-64.9	175.1	0	0	0	110.1	W337 L341 L441 S442 F446 V447 M448 A454 C457 F458 F461 W530 W534	W337-I444 HydrophobicContact CE3-CG1 4.49Å; W337-I444 HydrophobicContact CZ3-CG1 4.07Å; L341-I444 HydrophobicContact CD1-CD1 4.24Å; L341-I444 HydrophobicContact CD1-CG1 4.47Å; L441-I444 WeakPolarHBondContact O-CB 3.49Å; L441-I444 PolarHBondContact O-N 3.48Å; L441-I444 VanDerWaalsContact O-N 3.07Å; S442-I444 VanDerWaalsContact C-N 3.31Å; S442-I444 PolarHBondContact O-N 2.79Å; I444-F446 VanDerWaalsContact C-N 3.32Å; I444-F446 PolarHBondContact O-N 2.76Å; I444-V447 PolarHBondContact O-N 3.41Å; I444-M448 HydrophobicContact CG2-CG 4.12Å; I444-M448 WeakPolarHBondContact O-CB 3.35Å; I444-M448 VanDerWaalsContact O-CG 3.25Å; I444-M448 WeakPolarHBondContact O-CG 3.26Å; I444-M448 PolarHBondContact O-N 3.41Å; I444-A454 HydrophobicContact CG2-CB 4.4Å; I444-C457 HydrophobicContact CG2-CB 3.69Å; I444-F458 HydrophobicContact CD1-CB 4.44Å; I444-F458 HydrophobicContact CD1-CD2 4.46Å; I444-F461 HydrophobicContact CD1-CB 4.09Å; I444-F461 HydrophobicContact CD1-CD1 3.67Å; I444-F461 HydrophobicContact CD1-CE1 4.5Å; I444-F461 HydrophobicContact CD1-CG 4.28Å; I444-W530 HydrophobicContact CG1-CZ3 4.42Å; I444-W534 HydrophobicContact CG1-CH2 4.28Å
445	L	98.8	Very high	96.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-40.7	178.7	177.4	60.7	0	0	0	111.6	F405 Y406 L416 L417 I420 L441 S442 V447 M448 E449 A454	F405-L445 HydrophobicContact CE1-CD2 4.15Å; F405-L445 HydrophobicContact CE1-CG 4Å; F405-L445 HydrophobicContact CZ-CG 4.09Å; Y406-L445 HydrophobicContact CE1-CD2 4.27Å; L416-L445 HydrophobicContact CB-CD1 4.19Å; L416-L445 HydrophobicContact CB-CD2 3.76Å; L416-L445 HydrophobicContact CD1-CD1 4.27Å; L417-L445 HydrophobicContact CB-CD2 4.44Å; L417-L445 HydrophobicContact CD2-CB 4.48Å; L417-L445 HydrophobicContact CD2-CD2 3.76Å; L417-L445 HydrophobicContact CG-CD2 3.73Å; I420-L445 HydrophobicContact CD1-CD1 3.82Å; I420-L445 HydrophobicContact CD1-CD2 4.37Å; L441-L445 HydrophobicContact CD1-CB 4.49Å; L441-L445 PolarHBondContact O-N 2.87Å; S442-L445 PolarHBondContact O-N 2.89Å; L445-V447 VanDerWaalsContact C-N 3.31Å; L445-V447 PolarHBondContact O-N 2.84Å; L445-M448 PolarHBondContact O-N 3.29Å; L445-E449 PolarHBondContact O-N 3Å; L445-A454 HydrophobicContact CB-CB 4.28Å; L445-A454 HydrophobicContact CD1-CB 3.78Å
446	F	98.6	Very high	97.3	Very high	44 Å²	44	14 Å²	14	19%	0.193	7%	0.069	C	C	.	.	H	α-helix	trans	-56.4	-43.3	174.2	174.5	-88.9	0	0	0	112.4	H330 F405 S442 I444 F523 L527	H330-F446 AromaticContact CE1-CE1 3.97Å; F405-F446 HydrophobicContact CB-CD2 3.64Å; F405-F446 HydrophobicContact CB-CE2 4.08Å; F405-F446 AromaticContact CD2-CD2 3.91Å; F405-F446 HydrophobicContact CD2-CD2 3.91Å; F405-F446 AromaticContact CG-CD2 3.85Å; F405-F446 HydrophobicContact CG-CD2 3.85Å; S442-F446 WeakPolarHBondContact O-CB 3.27Å; S442-F446 PolarHBondContact O-N 3.25Å; I444-F446 VanDerWaalsContact C-N 3.32Å; I444-F446 PolarHBondContact O-N 2.76Å; F446-F523 HydrophobicContact CB-CE1 4Å; F446-F523 HydrophobicContact CB-CZ 3.74Å; F446-F523 AromaticContact CD1-CE1 3.52Å; F446-F523 HydrophobicContact CD1-CE1 3.52Å; F446-F523 HydrophobicContact CD1-CZ 4.18Å; F446-F523 AromaticContact CD2-CE1 3.94Å; F446-F523 HydrophobicContact CD2-CE1 3.94Å; F446-F523 HydrophobicContact CD2-CZ 4.12Å; F446-F523 AromaticContact CE1-CE1 3.93Å; F446-F523 HydrophobicContact CE1-CE1 3.93Å; F446-F523 HydrophobicContact CE2-CE1 4.32Å; F446-F523 AromaticContact CG-CE1 3.53Å; F446-F523 HydrophobicContact CG-CE1 3.53Å; F446-F523 AromaticContact CG-CZ 3.75Å; F446-F523 HydrophobicContact CG-CZ 3.75Å; F446-F523 HydrophobicContact CZ-CE1 4.32Å; F446-L527 HydrophobicContact CD1-CD1 4.45Å; F446-L527 HydrophobicContact CE1-CD1 4.28Å
447	V	98.6	Very high	98	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.024	7%	0.067	C	C	.	.	H	α-helix	trans	-75.4	-41.1	-179.5	168.2	0	0	0	0	112.2	R333 R334 W337 P443 I444 L445 L527	R333-V447 HydrophobicContact CB-CG1 3.67Å; R333-V447 HydrophobicContact CB-CG2 4.44Å; R334-V447 PolarHBondContact NE-O 2.87Å; W337-V447 HydrophobicContact CD2-CB 4.31Å; W337-V447 HydrophobicContact CD2-CG1 3.86Å; W337-V447 HydrophobicContact CD2-CG2 4.26Å; W337-V447 HydrophobicContact CE3-CB 3.9Å; W337-V447 HydrophobicContact CE3-CG1 3.89Å; W337-V447 HydrophobicContact CE3-CG2 4Å; W337-V447 HydrophobicContact CG-CG1 4.16Å; W337-V447 HydrophobicContact CH2-CG2 3.88Å; W337-V447 HydrophobicContact CZ2-CG2 4.09Å; W337-V447 HydrophobicContact CZ3-CB 4.08Å; W337-V447 HydrophobicContact CZ3-CG2 3.8Å; P443-V447 WeakPolarHBondContact O-CG2 3.23Å; P443-V447 PolarHBondContact O-N 3.23Å; P443-V447 VanDerWaalsContact O-N 3.12Å; I444-V447 PolarHBondContact O-N 3.41Å; L445-V447 VanDerWaalsContact C-N 3.31Å; L445-V447 PolarHBondContact O-N 2.84Å; V447-L527 HydrophobicContact CG2-CD1 4.26Å; V447-L527 HydrophobicContact CG2-CD2 3.93Å
448	M	98.4	Very high	98.2	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-75.8	-37.7	-173.4	-67.8	-61.1	160.5	0	0	112.5	W337 K338 I444 L445 N450 D453 A454 C457	W337-M448 HydrophobicContact CB-CE 3.43Å; W337-M448 VanDerWaalsContact CB-CE 3.43Å; W337-M448 HydrophobicContact CE3-CE 4.44Å; W337-M448 HydrophobicContact CG-CE 4.46Å; K338-M448 HydrophobicContact CD-SD 4.37Å; K338-M448 HydrophobicContact CG-CE 3.83Å; K338-M448 HydrophobicContact CG-SD 3.84Å; I444-M448 HydrophobicContact CG2-CG 4.12Å; I444-M448 WeakPolarHBondContact O-CB 3.35Å; I444-M448 VanDerWaalsContact O-CG 3.25Å; I444-M448 WeakPolarHBondContact O-CG 3.26Å; I444-M448 PolarHBondContact O-N 3.41Å; L445-M448 PolarHBondContact O-N 3.29Å; M448-N450 PolarHBondContact O-N 3.43Å; M448-D453 HydrophobicContact CB-CB 4.33Å; M448-D453 HydrophobicContact CG-CB 4.44Å; M448-D453 HydrophobicContact SD-CB 4.25Å; M448-A454 HydrophobicContact CB-CB 3.99Å; M448-A454 HydrophobicContact CG-CB 4.36Å; M448-C457 HydrophobicContact CE-CB 4.18Å; M448-C457 WeakPolarHBondContact CE-SG 3.26Å
449	E	97.3	Very high	98.4	Very high	105 Å²	105	13.9 Å²	13.9	49%	0.491	7%	0.067	S	C	.	.			trans	53.2	12.7	-174.7	-61	175.7	-159.8	0	0	114.3	R334 F405 L445	R334-E449 IonicContact CZ-OE2 3.66Å; R334-E449 IonicContact NH1-OE2 3.66Å; R334-E449 IonicContact NH2-OE1 2.85Å; R334-E449 PolarHBondContact NH2-OE1 3.46Å; R334-E449 IonicContact NH2-OE2 2.69Å; R334-E449 PolarHBondContact NH2-OE2 2.91Å; F405-E449 HydrophobicContact CE2-CG 4.29Å; L445-E449 PolarHBondContact O-N 3Å
450	N	98	Very high	98.6	Very high	70 Å²	70	14.8 Å²	14.8	37%	0.374	8%	0.075	S	C	.	.	S	Bend	trans	-133.1	130.3	179.9	178.2	-78.3	0	0	0	108.6	M448 V452 D453 A454	M448-N450 PolarHBondContact O-N 3.43Å; N450-V452 PolarHBondContact O-N 3.09Å; N450-V452 PolarHBondContact OD1-N 3.4Å; N450-D453 HydrophobicContact CB-CB 4.09Å; N450-D453 PolarHBondContact OD1-N 3.07Å; N450-A454 WeakPolarHBondContact O-CB 3.26Å; N450-A454 PolarHBondContact O-N 2.82Å
451	E	98.6	Very high	98.6	Very high	27 Å²	27	15 Å²	15	13%	0.126	8%	0.075	C	C	.	.	H	α-helix	trans	-61.4	-46.5	-173.6	-168.2	173.5	-153.7	0	0	113.3	Y364 K368 L416 D419 I420 F455	Y364-E451 HydrophobicContact CE1-CG 3.96Å; Y364-E451 VanDerWaalsContact OH-CG 3.22Å; Y364-E451 WeakPolarHBondContact OH-CG 3.44Å; Y364-E451 PolarHBondContact OH-OE1 3.22Å; K368-E451 IonicContact NZ-OE1 2.87Å; K368-E451 PolarHBondContact NZ-OE1 2.91Å; K368-E451 IonicContact NZ-OE2 2.69Å; K368-E451 PolarHBondContact NZ-OE2 2.78Å; L416-E451 HydrophobicContact CD2-CB 3.88Å; L416-E451 HydrophobicContact CD2-CG 3.87Å; D419-E451 WeakPolarHBondContact CB-OE1 3.36Å; I420-E451 HydrophobicContact CD1-CG 4.11Å; I420-E451 HydrophobicContact CG1-CG 3.72Å; E451-F455 WeakPolarHBondContact O-CB 3.28Å; E451-F455 PolarHBondContact O-N 2.95Å
452	V	98.8	Very high	98.6	Very high	6 Å²	6	15 Å²	15	4%	0.036	8%	0.075	C	C	.	.	H	α-helix	trans	-69.1	-46.6	-177.1	175.9	0	0	0	0	110.4	T361 Y364 F365 N450 A454 F455 W456	T361-V452 HydrophobicContact CG2-CG2 4.28Å; Y364-V452 HydrophobicContact CD1-CG2 3.63Å; Y364-V452 HydrophobicContact CE1-CG2 4.28Å; Y364-V452 HydrophobicContact CG-CG2 4.04Å; F365-V452 HydrophobicContact CE2-CG2 3.97Å; F365-V452 HydrophobicContact CZ-CG2 4.35Å; N450-V452 PolarHBondContact O-N 3.09Å; N450-V452 PolarHBondContact OD1-N 3.4Å; V452-A454 VanDerWaalsContact C-N 3.35Å; V452-F455 PolarHBondContact O-N 3.43Å; V452-W456 PolarHBondContact O-N 2.94Å
453	D	98.8	Very high	98.5	Very high	14 Å²	14	19.4 Å²	19.4	8%	0.075	10%	0.099	C	C	.	.	H	α-helix	trans	-64.8	-41.5	179.9	-68.1	-28.5	0	0	0	111.2	K338 Y343 M448 N450 W456 C457	K338-D453 WeakPolarHBondContact CE-OD2 3.26Å; K338-D453 IonicContact NZ-OD1 2.8Å; K338-D453 IonicContact NZ-OD2 3.47Å; K338-D453 PolarHBondContact NZ-OD2 3.21Å; Y343-D453 HydrophobicContact CE1-CB 4.16Å; Y343-D453 WeakPolarHBondContact CE1-OD1 3.3Å; Y343-D453 PolarHBondContact OH-OD1 3.39Å; M448-D453 HydrophobicContact CB-CB 4.33Å; M448-D453 HydrophobicContact CG-CB 4.44Å; M448-D453 HydrophobicContact SD-CB 4.25Å; N450-D453 HydrophobicContact CB-CB 4.09Å; N450-D453 PolarHBondContact OD1-N 3.07Å; D453-W456 PolarHBondContact O-N 3.12Å; D453-C457 VanDerWaalsContact O-CB 3.31Å; D453-C457 WeakPolarHBondContact O-CB 3.45Å; D453-C457 PolarHBondContact O-N 2.99Å; D453-C457 PolarHBondContact O-SG 3.37Å
454	A	98.9	Very high	98.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.8	-43.5	175	0	0	0	0	0	111.6	I420 I444 L445 M448 N450 V452 F458	I420-A454 HydrophobicContact CD1-CB 3.76Å; I444-A454 HydrophobicContact CG2-CB 4.4Å; L445-A454 HydrophobicContact CB-CB 4.28Å; L445-A454 HydrophobicContact CD1-CB 3.78Å; M448-A454 HydrophobicContact CB-CB 3.99Å; M448-A454 HydrophobicContact CG-CB 4.36Å; N450-A454 WeakPolarHBondContact O-CB 3.26Å; N450-A454 PolarHBondContact O-N 2.82Å; V452-A454 VanDerWaalsContact C-N 3.35Å; A454-F458 WeakPolarHBondContact O-CB 3.37Å; A454-F458 PolarHBondContact O-N 3.42Å
455	F	98.9	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.5	-51.3	176	172	-92	0	0	0	112.1	Y364 M367 I420 T423 Y427 E451 V452 C457 F458 V459	Y364-F455 HydrophobicContact CD2-CB 3.68Å; Y364-F455 AromaticContact CD2-CD1 3.54Å; Y364-F455 HydrophobicContact CD2-CD1 3.54Å; Y364-F455 AromaticContact CD2-CD2 3.83Å; Y364-F455 HydrophobicContact CD2-CD2 3.83Å; Y364-F455 HydrophobicContact CD2-CE1 4.12Å; Y364-F455 HydrophobicContact CD2-CE2 4.37Å; Y364-F455 AromaticContact CD2-CG 3.38Å; Y364-F455 HydrophobicContact CD2-CG 3.38Å; Y364-F455 HydrophobicContact CE2-CB 3.62Å; Y364-F455 HydrophobicContact CE2-CD1 4.21Å; Y364-F455 AromaticContact CE2-CD2 3.68Å; Y364-F455 HydrophobicContact CE2-CD2 3.68Å; Y364-F455 HydrophobicContact CE2-CE2 4.42Å; Y364-F455 AromaticContact CE2-CG 3.55Å; Y364-F455 HydrophobicContact CE2-CG 3.55Å; M367-F455 HydrophobicContact CE-CE1 3.59Å; M367-F455 HydrophobicContact CE-CZ 3.51Å; I420-F455 HydrophobicContact CG2-CB 4.07Å; I420-F455 HydrophobicContact CG2-CD2 4.08Å; T423-F455 HydrophobicContact CG2-CD2 4.21Å; T423-F455 HydrophobicContact CG2-CE2 3.83Å; T423-F455 HydrophobicContact CG2-CZ 4.28Å; Y427-F455 HydrophobicContact CD2-CZ 4.31Å; Y427-F455 HydrophobicContact CG-CZ 4.2Å; E451-F455 WeakPolarHBondContact O-CB 3.28Å; E451-F455 PolarHBondContact O-N 2.95Å; V452-F455 PolarHBondContact O-N 3.43Å; F455-C457 PolarHBondContact O-N 3.27Å; F455-F458 WeakPolarHBondContact O-CB 3.37Å; F455-F458 PolarHBondContact O-N 2.91Å; F455-V459 HydrophobicContact CD1-CG2 4.18Å; F455-V459 HydrophobicContact CE1-CG2 3.69Å; F455-V459 HydrophobicContact CE2-CG2 4.07Å; F455-V459 HydrophobicContact CZ-CG2 3.62Å; F455-V459 WeakPolarHBondContact O-CG2 3.07Å; F455-V459 PolarHBondContact O-N 3.44Å
456	W	98.9	Very high	97.8	Very high	10 Å²	10	26.1 Å²	26.1	4%	0.038	13%	0.13	C	C	.	.	H	α-helix	trans	-70.1	-34.4	-176.7	-73.5	111.7	0	0	0	113.2	Y343 K360 E363 M367 Y427 V452 D453 F458 V459 S460	Y343-W456 HydrophobicContact CD2-CB 3.73Å; Y343-W456 HydrophobicContact CD2-CG 4.39Å; Y343-W456 HydrophobicContact CE2-CB 3.81Å; Y343-W456 HydrophobicContact CE2-CG 4.1Å; Y343-W456 HydrophobicContact CG-CB 4.16Å; K360-W456 HydrophobicContact CB-CG 4.46Å; K360-W456 HydrophobicContact CD-CD2 3.49Å; K360-W456 VanDerWaalsContact CD-CD2 3.49Å; K360-W456 HydrophobicContact CD-CE3 3.98Å; K360-W456 HydrophobicContact CD-CG 3.94Å; K360-W456 HydrophobicContact CD-CH2 4.07Å; K360-W456 HydrophobicContact CD-CZ2 3.58Å; K360-W456 HydrophobicContact CD-CZ3 4.25Å; K360-W456 VanDerWaalsContact NZ-CZ3 3.28Å; K360-W456 PolarHBondContact O-NE1 3.37Å; E363-W456 HydrophobicContact CB-CZ2 3.94Å; E363-W456 VanDerWaalsContact CD-CZ2 3.47Å; E363-W456 HydrophobicContact CG-CH2 3.91Å; E363-W456 HydrophobicContact CG-CZ2 3.62Å; E363-W456 VanDerWaalsContact OE2-CH2 3.23Å; E363-W456 WeakPolarHBondContact OE2-CH2 3.36Å; E363-W456 VanDerWaalsContact OE2-CZ2 3.23Å; E363-W456 WeakPolarHBondContact OE2-CZ2 3.11Å; M367-W456 HydrophobicContact CE-CH2 4.08Å; M367-W456 HydrophobicContact CE-CZ2 4.04Å; Y427-W456 HydrophobicContact CD2-CH2 4.44Å; Y427-W456 HydrophobicContact CD2-CZ3 4.46Å; Y427-W456 HydrophobicContact CE2-CH2 4.16Å; Y427-W456 AromaticContact CE2-CZ3 3.9Å; Y427-W456 HydrophobicContact CE2-CZ3 3.9Å; V452-W456 PolarHBondContact O-N 2.94Å; D453-W456 PolarHBondContact O-N 3.12Å; W456-F458 VanDerWaalsContact C-N 3.33Å; W456-V459 HydrophobicContact CE3-CB 4.33Å; W456-V459 HydrophobicContact CE3-CG1 4.39Å; W456-V459 HydrophobicContact CE3-CG2 4.37Å; W456-V459 HydrophobicContact CZ3-CG1 4.44Å; W456-V459 PolarHBondContact O-N 3.19Å; W456-S460 PolarHBondContact O-N 3.31Å; W456-S460 PolarHBondContact O-OG 2.79Å
457	C	98.9	Very high	97.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.4	-38.4	171	-69	0	0	0	0	111.7	L341 I444 M448 D453 F455 F461	L341-C457 HydrophobicContact CB-CB 4.45Å; L341-C457 HydrophobicContact CD1-CB 3.66Å; I444-C457 HydrophobicContact CG2-CB 3.69Å; M448-C457 HydrophobicContact CE-CB 4.18Å; M448-C457 WeakPolarHBondContact CE-SG 3.26Å; D453-C457 VanDerWaalsContact O-CB 3.31Å; D453-C457 WeakPolarHBondContact O-CB 3.45Å; D453-C457 PolarHBondContact O-N 2.99Å; D453-C457 PolarHBondContact O-SG 3.37Å; F455-C457 PolarHBondContact O-N 3.27Å; C457-F461 PolarHBondContact O-N 2.83Å
458	F	98.9	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.7	-41.1	176	177.8	-108.7	0	0	0	112.4	L421 Y424 M437 L440 L441 I444 A454 F455 W456 S460 F461 M462	L421-F458 HydrophobicContact CD2-CE1 4.13Å; L421-F458 HydrophobicContact CD2-CZ 4.07Å; Y424-F458 HydrophobicContact CD1-CE1 4.29Å; Y424-F458 AromaticContact CD2-CD1 3.85Å; Y424-F458 HydrophobicContact CD2-CD1 3.85Å; Y424-F458 AromaticContact CD2-CE1 3.7Å; Y424-F458 HydrophobicContact CD2-CE1 3.7Å; Y424-F458 HydrophobicContact CE2-CD1 4.42Å; Y424-F458 HydrophobicContact CE2-CE1 4.18Å; Y424-F458 HydrophobicContact CG-CD1 4.26Å; Y424-F458 AromaticContact CG-CE1 3.77Å; Y424-F458 HydrophobicContact CG-CE1 3.77Å; M437-F458 HydrophobicContact CB-CZ 4.1Å; M437-F458 HydrophobicContact CE-CE1 4.1Å; M437-F458 HydrophobicContact CE-CZ 3.85Å; L440-F458 HydrophobicContact CB-CE2 4.05Å; L441-F458 HydrophobicContact CB-CD2 3.76Å; L441-F458 HydrophobicContact CB-CE2 3.83Å; L441-F458 HydrophobicContact CB-CG 4.34Å; L441-F458 HydrophobicContact CB-CZ 4.46Å; L441-F458 HydrophobicContact CD1-CB 3.68Å; L441-F458 HydrophobicContact CD1-CD1 4.44Å; L441-F458 HydrophobicContact CD1-CD2 3.94Å; L441-F458 HydrophobicContact CD1-CG 3.76Å; L441-F458 HydrophobicContact CG-CD2 4.4Å; I444-F458 HydrophobicContact CD1-CB 4.44Å; I444-F458 HydrophobicContact CD1-CD2 4.46Å; A454-F458 WeakPolarHBondContact O-CB 3.37Å; A454-F458 PolarHBondContact O-N 3.42Å; F455-F458 WeakPolarHBondContact O-CB 3.37Å; F455-F458 PolarHBondContact O-N 2.91Å; W456-F458 VanDerWaalsContact C-N 3.33Å; F458-S460 PolarHBondContact O-N 3.03Å; F458-F461 PolarHBondContact O-N 2.91Å; F458-M462 HydrophobicContact CD1-CG 4.19Å; F458-M462 HydrophobicContact CD2-CG 4.23Å; F458-M462 HydrophobicContact CE1-CG 3.71Å; F458-M462 HydrophobicContact CE2-CG 3.75Å; F458-M462 HydrophobicContact CE2-SD 3.92Å; F458-M462 HydrophobicContact CG-CG 4.44Å; F458-M462 HydrophobicContact CZ-CG 3.45Å; F458-M462 VanDerWaalsContact CZ-CG 3.45Å; F458-M462 HydrophobicContact CZ-SD 3.73Å; F458-M462 WeakPolarHBondContact O-CB 3.16Å; F458-M462 WeakPolarHBondContact O-CG 3.26Å; F458-M462 PolarHBondContact O-N 3.47Å
459	V	98.8	Very high	96	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-54.9	-52.3	173.2	165.9	0	0	0	0	110.4	Y424 Y427 F455 W456 F461 M462 D463	Y424-V459 HydrophobicContact CD2-CG2 3.91Å; Y424-V459 HydrophobicContact CE2-CG2 4.1Å; Y427-V459 HydrophobicContact CD1-CG1 4.27Å; Y427-V459 HydrophobicContact CD1-CG2 4.11Å; Y427-V459 HydrophobicContact CE1-CB 4.48Å; Y427-V459 HydrophobicContact CE1-CG1 3.5Å; Y427-V459 VanDerWaalsContact CE1-CG1 3.5Å; Y427-V459 HydrophobicContact CE1-CG2 4.17Å; Y427-V459 HydrophobicContact CE2-CG1 4.27Å; Y427-V459 HydrophobicContact CG-CG2 4.37Å; Y427-V459 VanDerWaalsContact CZ-CG1 3.5Å; Y427-V459 WeakPolarHBondContact OH-CG1 3.02Å; F455-V459 HydrophobicContact CD1-CG2 4.18Å; F455-V459 HydrophobicContact CE1-CG2 3.69Å; F455-V459 HydrophobicContact CE2-CG2 4.07Å; F455-V459 HydrophobicContact CZ-CG2 3.62Å; F455-V459 WeakPolarHBondContact O-CG2 3.07Å; F455-V459 PolarHBondContact O-N 3.44Å; W456-V459 HydrophobicContact CE3-CB 4.33Å; W456-V459 HydrophobicContact CE3-CG1 4.39Å; W456-V459 HydrophobicContact CE3-CG2 4.37Å; W456-V459 HydrophobicContact CZ3-CG1 4.44Å; W456-V459 PolarHBondContact O-N 3.19Å; V459-F461 VanDerWaalsContact C-N 3.27Å; V459-F461 PolarHBondContact O-N 3.32Å; V459-M462 CarbonylContact O-C 3.57Å; V459-M462 WeakPolarHBondContact O-CA 3.42Å; V459-M462 WeakPolarHBondContact O-CB 3.32Å; V459-M462 PolarHBondContact O-N 3.05Å; V459-D463 PolarHBondContact O-N 2.94Å
460	S	98.1	Very high	95.2	Very high	27 Å²	27	28.2 Å²	28.2	19%	0.189	14%	0.14	C	C	.	.	H	α-helix	trans	-66.6	-28.4	-179.7	-59.5	0	0	0	0	113.6	L341 W456 F458	L341-S460 WeakPolarHBondContact O-CB 3.38Å; L341-S460 PolarHBondContact O-OG 3.4Å; W456-S460 PolarHBondContact O-N 3.31Å; W456-S460 PolarHBondContact O-OG 2.79Å; F458-S460 PolarHBondContact O-N 3.03Å
461	F	98.6	Very high	93.9	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.013	16%	0.158	C	C	.	.	H	α-helix	trans	-70.8	-39.8	170.9	-173.4	-154.2	0	0	0	111.7	L341 L440 I444 C457 F458 V459 D463 Q464 M465 R516 W530 W534	L341-F461 HydrophobicContact CD2-CB 3.98Å; L341-F461 HydrophobicContact CD2-CG 4.48Å; L440-F461 HydrophobicContact CB-CD1 4.18Å; L440-F461 HydrophobicContact CB-CE1 3.83Å; L440-F461 HydrophobicContact CD1-CE1 4.22Å; L440-F461 HydrophobicContact CD2-CE1 3.69Å; L440-F461 HydrophobicContact CD2-CZ 3.92Å; L440-F461 HydrophobicContact CG-CE1 4.1Å; I444-F461 HydrophobicContact CD1-CB 4.09Å; I444-F461 HydrophobicContact CD1-CD1 3.67Å; I444-F461 HydrophobicContact CD1-CE1 4.5Å; I444-F461 HydrophobicContact CD1-CG 4.28Å; C457-F461 PolarHBondContact O-N 2.83Å; F458-F461 PolarHBondContact O-N 2.91Å; V459-F461 VanDerWaalsContact C-N 3.27Å; V459-F461 PolarHBondContact O-N 3.32Å; F461-D463 VanDerWaalsContact C-N 3.33Å; F461-D463 PolarHBondContact O-N 3.14Å; F461-Q464 WeakPolarHBondContact O-CB 3.45Å; F461-Q464 PolarHBondContact O-N 3.23Å; F461-M465 HydrophobicContact CD2-CG 4.03Å; F461-M465 HydrophobicContact CE2-CG 3.79Å; F461-M465 HydrophobicContact CE2-SD 4.34Å; F461-M465 HydrophobicContact CZ-CG 4.34Å; F461-M465 WeakPolarHBondContact O-CG 3.18Å; F461-M465 PolarHBondContact O-N 3.25Å; F461-R516 HydrophobicContact CE2-CG 4.34Å; F461-R516 HydrophobicContact CZ-CB 4.44Å; F461-R516 HydrophobicContact CZ-CG 3.97Å; F461-W530 HydrophobicContact CE1-CE3 4.38Å; F461-W530 HydrophobicContact CE1-CH2 4.07Å; F461-W530 HydrophobicContact CE1-CZ2 4.38Å; F461-W530 HydrophobicContact CE1-CZ3 4.05Å; F461-W534 HydrophobicContact CD1-CZ2 4.24Å; F461-W534 HydrophobicContact CD2-CZ2 4.22Å; F461-W534 AromaticContact CD2-NE1 3.58Å; F461-W534 HydrophobicContact CE1-CZ2 4.19Å; F461-W534 HydrophobicContact CE2-CZ2 4.24Å; F461-W534 AromaticContact CE2-NE1 3.56Å; F461-W534 HydrophobicContact CG-CZ2 4.23Å; F461-W534 HydrophobicContact CZ-CZ2 4.21Å
462	M	98.2	Very high	92.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.2	-33.4	175.3	-73.8	-58.2	-57	0	0	112.1	Y424 L431 M437 L440 F458 V459 Q464 M465 H466 F469	Y424-M462 HydrophobicContact CE2-CB 3.86Å; Y424-M462 HydrophobicContact CE2-CG 3.92Å; Y424-M462 VanDerWaalsContact OH-CB 3.32Å; Y424-M462 WeakPolarHBondContact OH-CB 3.02Å; L431-M462 HydrophobicContact CD2-CE 3.77Å; M437-M462 HydrophobicContact CE-CE 3.84Å; M437-M462 HydrophobicContact CE-SD 4.21Å; M437-M462 HydrophobicContact CG-CE 4.06Å; M437-M462 HydrophobicContact CG-SD 4.12Å; M437-M462 HydrophobicContact SD-CE 4.06Å; L440-M462 HydrophobicContact CD1-SD 4.06Å; F458-M462 HydrophobicContact CD1-CG 4.19Å; F458-M462 HydrophobicContact CD2-CG 4.23Å; F458-M462 HydrophobicContact CE1-CG 3.71Å; F458-M462 HydrophobicContact CE2-CG 3.75Å; F458-M462 HydrophobicContact CE2-SD 3.92Å; F458-M462 HydrophobicContact CG-CG 4.44Å; F458-M462 HydrophobicContact CZ-CG 3.45Å; F458-M462 VanDerWaalsContact CZ-CG 3.45Å; F458-M462 HydrophobicContact CZ-SD 3.73Å; F458-M462 WeakPolarHBondContact O-CB 3.16Å; F458-M462 WeakPolarHBondContact O-CG 3.26Å; F458-M462 PolarHBondContact O-N 3.47Å; V459-M462 CarbonylContact O-C 3.57Å; V459-M462 WeakPolarHBondContact O-CA 3.42Å; V459-M462 WeakPolarHBondContact O-CB 3.32Å; V459-M462 PolarHBondContact O-N 3.05Å; M462-Q464 PolarHBondContact O-N 3.33Å; M462-M465 CarbonylContact O-C 3.45Å; M462-M465 PolarHBondContact O-N 2.74Å; M462-H466 VanDerWaalsContact O-CA 3.25Å; M462-H466 WeakPolarHBondContact O-CA 3.32Å; M462-H466 VanDerWaalsContact O-CB 3.29Å; M462-H466 WeakPolarHBondContact O-CB 3.32Å; M462-H466 PolarHBondContact O-N 3.3Å; M462-F469 HydrophobicContact CE-CB 4.41Å; M462-F469 HydrophobicContact CE-CD2 3.65Å; M462-F469 HydrophobicContact CE-CE2 4.16Å; M462-F469 HydrophobicContact CE-CG 4.17Å; M462-F469 HydrophobicContact SD-CD2 4.42Å; M462-F469 HydrophobicContact SD-CE2 4.35Å
463	D	96.8	Very high	91.2	Very high	93 Å²	93	36.9 Å²	36.9	50%	0.497	18%	0.179	S	C	.	.	H	α-helix	trans	-57.4	-34.2	173.4	-66.7	-24.2	0	0	0	111.8	V459 F461	V459-D463 PolarHBondContact O-N 2.94Å; F461-D463 VanDerWaalsContact C-N 3.33Å; F461-D463 PolarHBondContact O-N 3.14Å
464	Q	94.4	Very high	90.1	Very high	93 Å²	93	39.8 Å²	39.8	44%	0.435	19%	0.192	S	C	.	.	H	α-helix	trans	-78.9	-26	175.8	-59.2	174.4	30.7	0	0	113.1	F461 M462	F461-Q464 WeakPolarHBondContact O-CB 3.45Å; F461-Q464 PolarHBondContact O-N 3.23Å; M462-Q464 PolarHBondContact O-N 3.33Å
465	M	93.2	Very high	89.3	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-103.5	-3	-175.3	-65.6	-62.1	-65.8	0	0	113.2	L440 F461 M462 Q467 N468 F469 L514 R516	L440-M465 HydrophobicContact CD1-CG 4.38Å; F461-M465 HydrophobicContact CD2-CG 4.03Å; F461-M465 HydrophobicContact CE2-CG 3.79Å; F461-M465 HydrophobicContact CE2-SD 4.34Å; F461-M465 HydrophobicContact CZ-CG 4.34Å; F461-M465 WeakPolarHBondContact O-CG 3.18Å; F461-M465 PolarHBondContact O-N 3.25Å; M462-M465 CarbonylContact O-C 3.45Å; M462-M465 PolarHBondContact O-N 2.74Å; M465-Q467 PolarHBondContact O-N 2.85Å; M465-N468 HydrophobicContact CE-CB 4.41Å; M465-N468 WeakPolarHBondContact CE-ND2 3.45Å; M465-N468 VanDerWaalsContact O-CB 3.25Å; M465-N468 WeakPolarHBondContact O-CB 3.42Å; M465-N468 PolarHBondContact O-N 3.02Å; M465-F469 HydrophobicContact CB-CD2 4.23Å; M465-F469 HydrophobicContact CB-CE2 4Å; M465-F469 HydrophobicContact CE-CE2 4.28Å; M465-F469 WeakPolarHBondContact O-CD2 3.38Å; M465-L514 WeakPolarHBondContact CE-O 3.49Å; M465-R516 HydrophobicContact CE-CG 3.85Å; M465-R516 HydrophobicContact SD-CG 3.9Å; M465-R516 PolarHBondContact SD-NE 3.2Å; M465-R516 PolarHBondContact SD-NH2 2.87Å
466	H	94.4	Very high	88.7	Confident	47 Å²	47	39.8 Å²	39.8	22%	0.218	19%	0.192	C	C	.	.	H	α-helix	trans	-54	-50.4	-163.3	-169.5	-78.1	0	0	0	112.4	D428 M462 N468 F469 E470	D428-H466 IonicContact OD2-CD2 3.31Å; D428-H466 IonicContact OD2-CE1 3.85Å; D428-H466 IonicContact OD2-NE2 2.78Å; D428-H466 PolarHBondContact OD2-NE2 3.04Å; M462-H466 VanDerWaalsContact O-CA 3.25Å; M462-H466 WeakPolarHBondContact O-CA 3.32Å; M462-H466 VanDerWaalsContact O-CB 3.29Å; M462-H466 WeakPolarHBondContact O-CB 3.32Å; M462-H466 PolarHBondContact O-N 3.3Å; H466-N468 PolarHBondContact O-N 3.44Å; H466-F469 PolarHBondContact O-N 3.12Å; H466-E470 IonicContact CE1-OE1 3.71Å; H466-E470 IonicContact ND1-OE1 2.85Å; H466-E470 PolarHBondContact ND1-OE1 3.26Å; H466-E470 PolarHBondContact O-N 3.19Å
467	Q	90.1	Very high	87.8	Confident	119 Å²	119	40.2 Å²	40.2	56%	0.556	19%	0.194	S	C	*	.	H	α-helix	trans	-60.8	-20.1	179	-64.9	-176.5	-12.4	0	0	114.4	M465 F469 G475	M465-Q467 PolarHBondContact O-N 2.85Å; Q467-F469 VanDerWaalsContact C-N 3.31Å; Q467-G475 WeakPolarHBondContact O-CA 3.34Å; Q467-G475 PolarHBondContact O-N 3.27Å
468	N	84.3	Confident	87.2	Confident	2 Å²	2	43 Å²	43	1%	0.011	21%	0.212	C	C	.	.	H	α-helix	trans	-75.1	-24.2	175.7	-67.8	20.4	0	0	0	111.8	M465 H466 M476 Q479 L514	M465-N468 HydrophobicContact CE-CB 4.41Å; M465-N468 WeakPolarHBondContact CE-ND2 3.45Å; M465-N468 VanDerWaalsContact O-CB 3.25Å; M465-N468 WeakPolarHBondContact O-CB 3.42Å; M465-N468 PolarHBondContact O-N 3.02Å; H466-N468 PolarHBondContact O-N 3.44Å; N468-M476 HydrophobicContact CB-CG 3.99Å; N468-M476 HydrophobicContact CB-SD 3.78Å; N468-M476 PolarHBondContact ND2-SD 2.96Å; N468-M476 VanDerWaalsContact ND2-SD 3.4Å; N468-Q479 PolarHBondContact ND2-NE2 3.31Å; N468-Q479 PolarHBondContact ND2-OE1 2.72Å; N468-Q479 VanDerWaalsContact ND2-OE1 3.09Å; N468-Q479 PolarHBondContact OD1-NE2 2.81Å; N468-L514 HydrophobicContact CB-CD1 4.4Å
469	F	83.9	Confident	87	Confident	6 Å²	6	44 Å²	44	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-110.5	-4.4	-173.7	-66.6	-79.6	0	0	0	113.7	L431 V434 M437 L440 M462 M465 H466 Q467 L514	L431-F469 HydrophobicContact CD1-CB 3.93Å; L431-F469 HydrophobicContact CD2-CB 4.42Å; L431-F469 HydrophobicContact CG-CB 4.48Å; V434-F469 HydrophobicContact CB-CB 4.48Å; V434-F469 HydrophobicContact CB-CD1 3.78Å; V434-F469 HydrophobicContact CG1-CD1 3.82Å; V434-F469 HydrophobicContact CG2-CB 4.36Å; M437-F469 HydrophobicContact CG-CD1 4.13Å; M437-F469 HydrophobicContact CG-CE1 4.02Å; M437-F469 HydrophobicContact CG-CG 4.49Å; M437-F469 HydrophobicContact CG-CZ 4.31Å; L440-F469 HydrophobicContact CD1-CE2 3.63Å; L440-F469 HydrophobicContact CD1-CZ 3.67Å; M462-F469 HydrophobicContact CE-CB 4.41Å; M462-F469 HydrophobicContact CE-CD2 3.65Å; M462-F469 HydrophobicContact CE-CE2 4.16Å; M462-F469 HydrophobicContact CE-CG 4.17Å; M462-F469 HydrophobicContact SD-CD2 4.42Å; M462-F469 HydrophobicContact SD-CE2 4.35Å; M465-F469 HydrophobicContact CB-CD2 4.23Å; M465-F469 HydrophobicContact CB-CE2 4Å; M465-F469 HydrophobicContact CE-CE2 4.28Å; M465-F469 WeakPolarHBondContact O-CD2 3.38Å; H466-F469 PolarHBondContact O-N 3.12Å; Q467-F469 VanDerWaalsContact C-N 3.31Å; F469-L514 HydrophobicContact CD1-CD1 3.9Å; F469-L514 HydrophobicContact CE1-CD1 3.49Å; F469-L514 VanDerWaalsContact CE1-CD1 3.49Å; F469-L514 HydrophobicContact CE1-CD2 4.49Å; F469-L514 HydrophobicContact CE1-CG 3.91Å; F469-L514 HydrophobicContact CE2-CD1 4.38Å; F469-L514 HydrophobicContact CZ-CD1 3.76Å; F469-L514 HydrophobicContact CZ-CG 4.08Å; F469-L514 WeakPolarHBondContact CZ-O 3.34Å
470	E	79.7	Confident	86.4	Confident	72 Å²	72	44 Å²	44	34%	0.336	22%	0.216	S	C	.	.	S	Bend	trans	-58	154.4	169	-69.5	-180	173	0	0	111.6	H466 Q472 M473	H466-E470 IonicContact CE1-OE1 3.71Å; H466-E470 IonicContact ND1-OE1 2.85Å; H466-E470 PolarHBondContact ND1-OE1 3.26Å; H466-E470 PolarHBondContact O-N 3.19Å; E470-Q472 PolarHBondContact O-N 3.13Å; E470-Q472 VanDerWaalsContact O-N 3.11Å; E470-M473 WeakPolarHBondContact O-CA 3.47Å; E470-M473 WeakPolarHBondContact O-CG 3.17Å; E470-M473 PolarHBondContact O-N 3.44Å
471	E	70	Confident	85.8	Confident	161 Å²	161	44.6 Å²	44.6	75%	0.752	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.5	-177.1	-174.2	171.7	-156.3	0	0	113.2
472	Q	69.4	Low	85.6	Confident	99 Å²	99	46.5 Å²	46.5	46%	0.463	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.7	179	-59.4	-59.8	-37.7	0	0	113.8	E470 Q474	E470-Q472 PolarHBondContact O-N 3.13Å; E470-Q472 VanDerWaalsContact O-N 3.11Å; Q472-Q474 HydrophobicContact CB-CG 4Å; Q472-Q474 PolarHBondContact O-N 3.19Å
473	M	72.3	Confident	85.6	Confident	26 Å²	26	46.5 Å²	46.5	13%	0.128	23%	0.226	C	C	.	.			trans	45.6	36.5	177.3	-60.4	-168.5	174.5	0	0	114.9	I265 L268 E470 G475 M476 K477 F510	I265-M473 HydrophobicContact CG2-CE 4.04Å; I265-M473 HydrophobicContact CG2-SD 3.51Å; I265-M473 VanDerWaalsContact CG2-SD 3.51Å; L268-M473 HydrophobicContact CD1-CB 4.08Å; E470-M473 WeakPolarHBondContact O-CA 3.47Å; E470-M473 WeakPolarHBondContact O-CG 3.17Å; E470-M473 PolarHBondContact O-N 3.44Å; M473-G475 PolarHBondContact O-N 3.41Å; M473-M476 HydrophobicContact CB-CB 4.24Å; M473-M476 HydrophobicContact CB-CG 4.4Å; M473-M476 WeakPolarHBondContact O-CB 3.44Å; M473-M476 PolarHBondContact O-N 3.2Å; M473-K477 PolarHBondContact O-N 2.88Å; M473-K477 VanDerWaalsContact O-N 3.15Å; M473-F510 HydrophobicContact SD-CE2 4.33Å; M473-F510 HydrophobicContact SD-CZ 4.06Å
474	Q	75.6	Confident	85.3	Confident	74 Å²	74	43 Å²	43	35%	0.346	21%	0.208	S	C	.	.	H	α-helix	trans	-62.7	-33.3	-173.7	-68.6	-64.9	-23.5	0	0	112.2	Q472 M476 K477 T478	Q472-Q474 HydrophobicContact CB-CG 4Å; Q472-Q474 PolarHBondContact O-N 3.19Å; Q474-M476 VanDerWaalsContact C-N 3.33Å; Q474-M476 PolarHBondContact O-N 3.09Å; Q474-K477 PolarHBondContact O-N 3.15Å; Q474-T478 VanDerWaalsContact O-CB 3.3Å; Q474-T478 WeakPolarHBondContact O-CB 3.45Å; Q474-T478 PolarHBondContact O-N 3.29Å; Q474-T478 PolarHBondContact O-OG1 3.37Å
475	G	81.4	Confident	85.2	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-39.4	173.6	0	0	0	0	0	112.5	Q467 M473 Q479	Q467-G475 WeakPolarHBondContact O-CA 3.34Å; Q467-G475 PolarHBondContact O-N 3.27Å; M473-G475 PolarHBondContact O-N 3.41Å; G475-Q479 WeakPolarHBondContact O-CB 3.46Å; G475-Q479 VanDerWaalsContact O-CG 3.23Å; G475-Q479 WeakPolarHBondContact O-CG 3.14Å; G475-Q479 PolarHBondContact O-N 3.12Å
476	M	86.1	Confident	85.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.8	-47.4	177	-69.1	-58.9	-63.2	0	0	111.7	L268 N468 M473 Q474 T478 Q479 L480 F510 L513 L514	L268-M476 HydrophobicContact CD1-CB 4.01Å; N468-M476 HydrophobicContact CB-CG 3.99Å; N468-M476 HydrophobicContact CB-SD 3.78Å; N468-M476 PolarHBondContact ND2-SD 2.96Å; N468-M476 VanDerWaalsContact ND2-SD 3.4Å; M473-M476 HydrophobicContact CB-CB 4.24Å; M473-M476 HydrophobicContact CB-CG 4.4Å; M473-M476 WeakPolarHBondContact O-CB 3.44Å; M473-M476 PolarHBondContact O-N 3.2Å; Q474-M476 VanDerWaalsContact C-N 3.33Å; Q474-M476 PolarHBondContact O-N 3.09Å; M476-T478 PolarHBondContact O-N 3.21Å; M476-Q479 PolarHBondContact O-N 2.93Å; M476-L480 WeakPolarHBondContact O-CG 3.38Å; M476-L480 PolarHBondContact O-N 2.89Å; M476-F510 HydrophobicContact CB-CE2 4.25Å; M476-F510 HydrophobicContact CE-CD1 4.41Å; M476-F510 HydrophobicContact CE-CD2 3.45Å; M476-F510 VanDerWaalsContact CE-CD2 3.45Å; M476-F510 HydrophobicContact CE-CE2 3.6Å; M476-F510 HydrophobicContact CE-CG 3.88Å; M476-F510 HydrophobicContact CE-CZ 4.16Å; M476-F510 WeakPolarHBondContact CE-O 3.37Å; M476-F510 HydrophobicContact CG-CE2 4.14Å; M476-L513 HydrophobicContact CE-CB 3.84Å; M476-L513 HydrophobicContact SD-CB 4.27Å; M476-L514 HydrophobicContact CE-CB 3.98Å; M476-L514 HydrophobicContact CG-CD1 4.39Å; M476-L514 HydrophobicContact SD-CB 4.11Å; M476-L514 HydrophobicContact SD-CD1 4Å
477	K	80.1	Confident	85.3	Confident	19 Å²	19	37.4 Å²	37.4	8%	0.083	18%	0.184	C	C	.	.	H	α-helix	trans	-57.4	-50.6	175.8	-65	-172	-175.9	173.5	0	111.4	G267 L268 E269 I270 M473 Q474 Q479 L480 I481	G267-K477 WeakPolarHBondContact O-CE 3.21Å; G267-K477 PolarHBondContact O-NZ 2.86Å; L268-K477 VanDerWaalsContact C-CE 3.41Å; L268-K477 HydrophobicContact CD1-CG 3.81Å; E269-K477 VanDerWaalsContact N-CE 3.32Å; E269-K477 WeakPolarHBondContact O-CE 3.43Å; E269-K477 PolarHBondContact O-NZ 2.72Å; I270-K477 HydrophobicContact CG1-CB 4.27Å; I270-K477 HydrophobicContact CG1-CD 4.26Å; I270-K477 HydrophobicContact CG1-CG 3.93Å; M473-K477 PolarHBondContact O-N 2.88Å; M473-K477 VanDerWaalsContact O-N 3.15Å; Q474-K477 PolarHBondContact O-N 3.15Å; K477-Q479 VanDerWaalsContact C-N 3.33Å; K477-Q479 PolarHBondContact O-N 2.87Å; K477-L480 PolarHBondContact O-N 2.79Å; K477-I481 WeakPolarHBondContact O-CG1 3.43Å; K477-I481 PolarHBondContact O-N 2.79Å
478	T	87.5	Confident	85.4	Confident	59 Å²	59	34.7 Å²	34.7	36%	0.362	17%	0.168	S	C	.	.	H	α-helix	trans	-57.5	-48.1	-179.2	-60.1	0	0	0	0	110.3	Q474 M476 L480 I481 Q482	Q474-T478 VanDerWaalsContact O-CB 3.3Å; Q474-T478 WeakPolarHBondContact O-CB 3.45Å; Q474-T478 PolarHBondContact O-N 3.29Å; Q474-T478 PolarHBondContact O-OG1 3.37Å; M476-T478 PolarHBondContact O-N 3.21Å; T478-L480 PolarHBondContact O-N 3.4Å; T478-I481 PolarHBondContact O-N 3.43Å; T478-Q482 HydrophobicContact CG2-CG 4.32Å; T478-Q482 WeakPolarHBondContact O-CB 3.46Å; T478-Q482 WeakPolarHBondContact O-CG 3.35Å; T478-Q482 PolarHBondContact O-N 2.95Å
479	Q	93.5	Very high	85.8	Confident	19 Å²	19	35.2 Å²	35.2	9%	0.089	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-37.9	179	-73.6	169.1	24	0	0	112.7	N468 G475 M476 K477 L483 L513 L544	N468-Q479 PolarHBondContact ND2-NE2 3.31Å; N468-Q479 PolarHBondContact ND2-OE1 2.72Å; N468-Q479 VanDerWaalsContact ND2-OE1 3.09Å; N468-Q479 PolarHBondContact OD1-NE2 2.81Å; G475-Q479 WeakPolarHBondContact O-CB 3.46Å; G475-Q479 VanDerWaalsContact O-CG 3.23Å; G475-Q479 WeakPolarHBondContact O-CG 3.14Å; G475-Q479 PolarHBondContact O-N 3.12Å; M476-Q479 PolarHBondContact O-N 2.93Å; K477-Q479 VanDerWaalsContact C-N 3.33Å; K477-Q479 PolarHBondContact O-N 2.87Å; Q479-L483 VanDerWaalsContact O-CB 3.27Å; Q479-L483 WeakPolarHBondContact O-CB 3.33Å; Q479-L483 PolarHBondContact O-N 2.88Å; Q479-L513 HydrophobicContact CB-CD1 3.96Å; Q479-L544 HydrophobicContact CB-CD2 4.17Å
480	L	87.2	Confident	86.2	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-67.4	-42.3	176	-71.9	172.2	0	0	0	112.2	I270 M476 K477 T478 L483 S484 L506 Y507 C509 L513	I270-L480 HydrophobicContact CD1-CB 4.37Å; I270-L480 HydrophobicContact CD1-CD1 4.18Å; M476-L480 WeakPolarHBondContact O-CG 3.38Å; M476-L480 PolarHBondContact O-N 2.89Å; K477-L480 PolarHBondContact O-N 2.79Å; T478-L480 PolarHBondContact O-N 3.4Å; L480-L483 WeakPolarHBondContact O-CB 3.3Å; L480-L483 PolarHBondContact O-N 2.88Å; L480-S484 PolarHBondContact O-N 3.45Å; L480-L506 HydrophobicContact CD2-CB 4.24Å; L480-L506 WeakPolarHBondContact CD2-O 3.45Å; L480-Y507 HydrophobicContact CD1-CD1 4.33Å; L480-C509 HydrophobicContact CD2-CB 4.32Å; L480-L513 HydrophobicContact CD2-CD1 3.74Å; L480-L513 HydrophobicContact CG-CD1 4.14Å
481	I	85.9	Confident	86.8	Confident	40 Å²	40	35 Å²	35	21%	0.205	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-44.6	175.1	-66.3	165	0	0	0	110.5	I270 P276 K477 T478 L483 S484 T485	I270-I481 HydrophobicContact CG2-CD1 4.09Å; I270-I481 HydrophobicContact CG2-CG1 4.09Å; P276-I481 HydrophobicContact CG-CG2 4.07Å; K477-I481 WeakPolarHBondContact O-CG1 3.43Å; K477-I481 PolarHBondContact O-N 2.79Å; T478-I481 PolarHBondContact O-N 3.43Å; I481-L483 VanDerWaalsContact C-N 3.33Å; I481-L483 PolarHBondContact O-N 3.42Å; I481-S484 PolarHBondContact O-N 3.11Å; I481-T485 WeakPolarHBondContact O-CB 3.34Å; I481-T485 PolarHBondContact O-N 2.87Å; I481-T485 PolarHBondContact O-OG1 3.43Å
482	Q	94.4	Very high	87.9	Confident	44 Å²	44	29.8 Å²	29.8	21%	0.206	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-39.5	176.8	-69.5	176.7	-12.6	0	0	111.7	T478 T485 L486 L544 I608	T478-Q482 HydrophobicContact CG2-CG 4.32Å; T478-Q482 WeakPolarHBondContact O-CB 3.46Å; T478-Q482 WeakPolarHBondContact O-CG 3.35Å; T478-Q482 PolarHBondContact O-N 2.95Å; Q482-T485 PolarHBondContact O-N 3.34Å; Q482-L486 WeakPolarHBondContact O-CG 3.47Å; Q482-L486 PolarHBondContact O-N 3.26Å; Q482-L544 HydrophobicContact CB-CD1 3.65Å; Q482-I608 HydrophobicContact CB-CD1 3.91Å; Q482-I608 HydrophobicContact CB-CG1 4.11Å; Q482-I608 HydrophobicContact CB-CG2 4.16Å; Q482-I608 HydrophobicContact CG-CD1 3.92Å; Q482-I608 HydrophobicContact CG-CG1 3.77Å; Q482-I608 HydrophobicContact CG-CG2 4.48Å
483	L	96.4	Very high	89	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-46.1	174	179.6	59.1	0	0	0	111.6	Q479 L480 I481 T485 L486 L487 L506 C509 L544 C547	Q479-L483 VanDerWaalsContact O-CB 3.27Å; Q479-L483 WeakPolarHBondContact O-CB 3.33Å; Q479-L483 PolarHBondContact O-N 2.88Å; L480-L483 WeakPolarHBondContact O-CB 3.3Å; L480-L483 PolarHBondContact O-N 2.88Å; I481-L483 VanDerWaalsContact C-N 3.33Å; I481-L483 PolarHBondContact O-N 3.42Å; L483-T485 VanDerWaalsContact C-N 3.31Å; L483-T485 PolarHBondContact O-N 2.68Å; L483-L486 PolarHBondContact O-N 3.29Å; L483-L487 HydrophobicContact CD1-CD1 4.4Å; L483-L487 HydrophobicContact CD1-CG 4.43Å; L483-L487 HydrophobicContact CG-CD1 4.23Å; L483-L487 WeakPolarHBondContact O-CG 3.38Å; L483-L487 PolarHBondContact O-N 3.32Å; L483-L506 HydrophobicContact CG-CD1 4.39Å; L483-C509 HydrophobicContact CD2-CB 3.93Å; L483-L544 HydrophobicContact CB-CD2 4.35Å; L483-C547 HydrophobicContact CD1-CB 3.52Å; L483-C547 HydrophobicContact CD2-CB 3.89Å; L483-C547 HydrophobicContact CG-CB 4.38Å
484	S	91.6	Very high	90.1	Very high	19 Å²	19	26.8 Å²	26.8	13%	0.133	15%	0.145	C	C	.	.	H	α-helix	trans	-58.2	-44.7	175.4	-166.7	0	0	0	0	111.2	L480 I481 L486 L487 R488 W495 G504 L506	L480-S484 PolarHBondContact O-N 3.45Å; I481-S484 PolarHBondContact O-N 3.11Å; S484-L486 PolarHBondContact O-N 2.97Å; S484-L487 PolarHBondContact O-N 3.28Å; S484-R488 WeakPolarHBondContact O-CB 3.42Å; S484-R488 PolarHBondContact O-N 2.9Å; S484-W495 PolarHBondContact O-NE1 3.34Å; S484-W495 PolarHBondContact OG-NE1 3.04Å; S484-G504 PolarHBondContact OG-O 3.04Å; S484-L506 VanDerWaalsContact CB-CD1 3.42Å
485	T	91.4	Very high	91	Very high	18 Å²	18	25 Å²	25	11%	0.11	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-42.9	177.6	-54.6	0	0	0	0	112	I481 Q482 L483 R488 L489 I605 I608	I481-T485 WeakPolarHBondContact O-CB 3.34Å; I481-T485 PolarHBondContact O-N 2.87Å; I481-T485 PolarHBondContact O-OG1 3.43Å; Q482-T485 PolarHBondContact O-N 3.34Å; L483-T485 VanDerWaalsContact C-N 3.31Å; L483-T485 PolarHBondContact O-N 2.68Å; T485-R488 PolarHBondContact O-N 2.95Å; T485-L489 PolarHBondContact O-N 3.26Å; T485-I605 HydrophobicContact CG2-CD1 3.84Å; T485-I608 HydrophobicContact CG2-CD1 4.06Å
486	L	95.6	Very high	91.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.9	-43.5	175.2	-72.9	166.8	0	0	0	111.9	Q482 L483 S484 R488 L489 L490 L544 L545 I595 I605 I608 L609	Q482-L486 WeakPolarHBondContact O-CG 3.47Å; Q482-L486 PolarHBondContact O-N 3.26Å; L483-L486 PolarHBondContact O-N 3.29Å; S484-L486 PolarHBondContact O-N 2.97Å; L486-R488 VanDerWaalsContact C-N 3.34Å; L486-R488 PolarHBondContact O-N 2.94Å; L486-L489 PolarHBondContact O-N 3.35Å; L486-L490 VanDerWaalsContact O-CG 3.27Å; L486-L490 WeakPolarHBondContact O-CG 3.2Å; L486-L490 PolarHBondContact O-N 3.45Å; L486-L544 HydrophobicContact CD1-CB 3.63Å; L486-L544 HydrophobicContact CD1-CD1 3.99Å; L486-L544 HydrophobicContact CD1-CG 4.48Å; L486-L545 HydrophobicContact CD1-CD2 4.19Å; L486-L545 HydrophobicContact CD2-CD2 4.34Å; L486-I595 HydrophobicContact CD2-CD1 4.42Å; L486-I605 HydrophobicContact CD2-CD1 4.04Å; L486-I605 HydrophobicContact CD2-CG2 4.1Å; L486-I608 HydrophobicContact CD1-CG2 3.95Å; L486-I608 HydrophobicContact CD2-CG2 4.41Å; L486-I608 HydrophobicContact CG-CG2 4.26Å; L486-L609 HydrophobicContact CD2-CD1 4.46Å; L486-L609 HydrophobicContact CD2-CD2 4.29Å; L486-L609 HydrophobicContact CD2-CG 4.41Å
487	L	94.8	Very high	91.8	Very high	6 Å²	6	30 Å²	30	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-40.2	177.3	-74.9	170.5	0	0	0	112.1	L483 S484 L489 L490 D491 L506 L551	L483-L487 HydrophobicContact CD1-CD1 4.4Å; L483-L487 HydrophobicContact CD1-CG 4.43Å; L483-L487 HydrophobicContact CG-CD1 4.23Å; L483-L487 WeakPolarHBondContact O-CG 3.38Å; L483-L487 PolarHBondContact O-N 3.32Å; S484-L487 PolarHBondContact O-N 3.28Å; L487-L489 PolarHBondContact O-N 3.48Å; L487-L490 PolarHBondContact O-N 2.8Å; L487-L490 VanDerWaalsContact O-N 3.14Å; L487-D491 CarbonylContact O-C 3.58Å; L487-D491 PolarHBondContact O-N 3.37Å; L487-L506 HydrophobicContact CD1-CD1 4.35Å; L487-L506 HydrophobicContact CD1-CD2 3.31Å; L487-L506 HydrophobicContact CD1-CG 4.49Å; L487-L551 HydrophobicContact CD1-CD1 3.68Å; L487-L551 HydrophobicContact CD2-CB 4.41Å; L487-L551 HydrophobicContact CD2-CD1 4.08Å; L487-L551 HydrophobicContact CG-CD1 4.45Å
488	R	92.4	Very high	92.1	Very high	62 Å²	62	29.2 Å²	29.2	23%	0.234	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-36.3	175.6	-172.6	175.9	177.1	-173.7	4	112.6	I281 S484 T485 L486 L492 W495	I281-R488 HydrophobicContact CD1-CG 4.21Å; S484-R488 WeakPolarHBondContact O-CB 3.42Å; S484-R488 PolarHBondContact O-N 2.9Å; T485-R488 PolarHBondContact O-N 2.95Å; L486-R488 VanDerWaalsContact C-N 3.34Å; L486-R488 PolarHBondContact O-N 2.94Å; R488-L492 HydrophobicContact CG-CD1 3.87Å; R488-W495 HydrophobicContact CB-CB 4.49Å; R488-W495 HydrophobicContact CB-CD2 4.01Å; R488-W495 HydrophobicContact CB-CG 3.86Å; R488-W495 HydrophobicContact CG-CD2 3.98Å; R488-W495 HydrophobicContact CG-CE3 4.2Å; R488-W495 HydrophobicContact CG-CG 4.26Å
489	L	91.9	Very high	92.1	Very high	13 Å²	13	30.1 Å²	30.1	7%	0.068	16%	0.157	C	C	.	.	H	α-helix	trans	-71.8	-44.1	173.2	177.5	71.1	0	0	0	112.1	I281 I284 L286 T485 L486 L487 I595 L601 I605	I281-L489 HydrophobicContact CG2-CB 4.19Å; I281-L489 HydrophobicContact CG2-CD1 3.89Å; I284-L489 HydrophobicContact CB-CD1 4.26Å; I284-L489 HydrophobicContact CD1-CD1 4.21Å; I284-L489 HydrophobicContact CG2-CD1 4.25Å; L286-L489 HydrophobicContact CD1-CG 4.15Å; L286-L489 HydrophobicContact CD2-CD1 4.19Å; L286-L489 HydrophobicContact CD2-CD2 4.19Å; L286-L489 HydrophobicContact CD2-CG 4.25Å; T485-L489 PolarHBondContact O-N 3.26Å; L486-L489 PolarHBondContact O-N 3.35Å; L487-L489 PolarHBondContact O-N 3.48Å; L489-I595 HydrophobicContact CD2-CG1 4.35Å; L489-I595 HydrophobicContact CD2-CG2 4.37Å; L489-L601 HydrophobicContact CD2-CD1 3.9Å; L489-I605 HydrophobicContact CB-CD1 4.04Å; L489-I605 HydrophobicContact CD2-CB 4.43Å; L489-I605 HydrophobicContact CD2-CD1 3.89Å; L489-I605 HydrophobicContact CD2-CG1 3.91Å; L489-I605 HydrophobicContact CD2-CG2 3.89Å
490	L	93.4	Very high	91.7	Very high	35 Å²	35	32.7 Å²	32.7	18%	0.183	18%	0.177	C	C	.	.	H	α-helix	trans	-74.5	-40.7	-172.6	-70.3	171.8	0	0	0	113.4	L286 L486 L487 C548 I591 I595	L286-L490 HydrophobicContact CD1-CD2 3.91Å; L486-L490 VanDerWaalsContact O-CG 3.27Å; L486-L490 WeakPolarHBondContact O-CG 3.2Å; L486-L490 PolarHBondContact O-N 3.45Å; L487-L490 PolarHBondContact O-N 2.8Å; L487-L490 VanDerWaalsContact O-N 3.14Å; L490-C548 HydrophobicContact CD1-CB 3.67Å; L490-I591 HydrophobicContact CD1-CG2 3.87Å; L490-I591 HydrophobicContact CD2-CG2 3.75Å; L490-I591 HydrophobicContact CG-CG2 4.46Å; L490-I595 HydrophobicContact CD2-CD1 4.12Å; L490-I595 HydrophobicContact CD2-CG1 4.19Å
491	D	92.6	Very high	91.4	Very high	37 Å²	37	34.8 Å²	34.8	20%	0.198	19%	0.186	C	C	.	.			trans	-153.6	88.1	-177.5	-162	-38.2	0	0	0	110.5	L487 A493 F494 W495 K555	L487-D491 CarbonylContact O-C 3.58Å; L487-D491 PolarHBondContact O-N 3.37Å; D491-A493 PolarHBondContact O-N 2.99Å; D491-A493 PolarHBondContact OD1-N 3.24Å; D491-F494 HydrophobicContact CB-CB 4.02Å; D491-F494 PolarHBondContact O-N 2.91Å; D491-F494 PolarHBondContact OD1-N 2.99Å; D491-W495 WeakPolarHBondContact O-CB 3.48Å; D491-W495 PolarHBondContact O-N 3.44Å; D491-K555 WeakPolarHBondContact OD2-CD 3.48Å; D491-K555 WeakPolarHBondContact OD2-CE 3.3Å; D491-K555 IonicContact OD2-NZ 3.29Å; D491-K555 PolarHBondContact OD2-NZ 3.07Å
492	L	91.6	Very high	90.9	Very high	53 Å²	53	35.7 Å²	35.7	28%	0.277	19%	0.19	S	C	.	.	H	α-helix	trans	-61.8	-30.7	-179.7	-176.9	62.7	0	0	0	112.5	T282 R488 W495 N496	T282-L492 HydrophobicContact CG2-CD2 4.04Å; R488-L492 HydrophobicContact CG-CD1 3.87Å; L492-W495 HydrophobicContact CD1-CE3 4.17Å; L492-N496 WeakPolarHBondContact O-CB 3.27Å; L492-N496 PolarHBondContact O-N 3.48Å; L492-N496 PolarHBondContact O-ND2 3.3Å
493	A	93.3	Very high	90.1	Very high	59 Å²	59	33.7 Å²	33.7	49%	0.488	18%	0.181	S	C	.	.	H	α-helix	trans	-70.4	-46.4	179.8	0	0	0	0	0	110.9	D491 N496 Y497	D491-A493 PolarHBondContact O-N 2.99Å; D491-A493 PolarHBondContact OD1-N 3.24Å; A493-N496 PolarHBondContact O-N 2.9Å; A493-Y497 WeakPolarHBondContact O-CB 3.44Å; A493-Y497 PolarHBondContact O-N 3.45Å
494	F	95.9	Very high	88.9	Confident	2 Å²	2	34 Å²	34	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-39.6	174.7	-178.5	-121.6	0	0	0	112.1	D491 Y497 L498 L551 K555 I558 M559	D491-F494 HydrophobicContact CB-CB 4.02Å; D491-F494 PolarHBondContact O-N 2.91Å; D491-F494 PolarHBondContact OD1-N 2.99Å; F494-Y497 WeakPolarHBondContact O-CB 3.46Å; F494-Y497 PolarHBondContact O-N 3.5Å; F494-L498 HydrophobicContact CD1-CD1 4.21Å; F494-L498 HydrophobicContact CE1-CD1 3.72Å; F494-L498 HydrophobicContact CE1-CG 4.32Å; F494-L498 HydrophobicContact CE2-CD1 4.45Å; F494-L498 HydrophobicContact CE2-CD2 4.17Å; F494-L498 HydrophobicContact CE2-CG 4.19Å; F494-L498 HydrophobicContact CZ-CD1 3.86Å; F494-L498 HydrophobicContact CZ-CD2 4.05Å; F494-L498 HydrophobicContact CZ-CG 4.07Å; F494-L498 WeakPolarHBondContact O-CG 3.41Å; F494-L498 PolarHBondContact O-N 3.31Å; F494-L551 HydrophobicContact CE1-CB 4.28Å; F494-K555 HydrophobicContact CB-CB 4.47Å; F494-K555 HydrophobicContact CD1-CB 4.09Å; F494-K555 HydrophobicContact CD2-CB 3.69Å; F494-K555 HydrophobicContact CE1-CB 4.21Å; F494-K555 HydrophobicContact CE2-CB 3.83Å; F494-K555 HydrophobicContact CG-CB 3.82Å; F494-K555 HydrophobicContact CZ-CB 4.09Å; F494-I558 HydrophobicContact CE2-CB 4.2Å; F494-I558 HydrophobicContact CE2-CD1 4.29Å; F494-I558 HydrophobicContact CE2-CG2 3.91Å; F494-I558 HydrophobicContact CZ-CD1 4.08Å; F494-M559 HydrophobicContact CB-SD 4.05Å; F494-M559 HydrophobicContact CD2-CG 3.82Å; F494-M559 HydrophobicContact CD2-SD 3.76Å; F494-M559 HydrophobicContact CE2-CG 4.36Å; F494-M559 HydrophobicContact CG-SD 4.39Å
495	W	94.3	Very high	88.1	Confident	38 Å²	38	36.1 Å²	36.1	14%	0.144	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-49.9	175.2	-176.5	86.5	0	0	0	112.1	S484 R488 D491 L492 Y497 L498 E499	S484-W495 PolarHBondContact O-NE1 3.34Å; S484-W495 PolarHBondContact OG-NE1 3.04Å; R488-W495 HydrophobicContact CB-CB 4.49Å; R488-W495 HydrophobicContact CB-CD2 4.01Å; R488-W495 HydrophobicContact CB-CG 3.86Å; R488-W495 HydrophobicContact CG-CD2 3.98Å; R488-W495 HydrophobicContact CG-CE3 4.2Å; R488-W495 HydrophobicContact CG-CG 4.26Å; D491-W495 WeakPolarHBondContact O-CB 3.48Å; D491-W495 PolarHBondContact O-N 3.44Å; L492-W495 HydrophobicContact CD1-CE3 4.17Å; W495-Y497 PolarHBondContact O-N 2.91Å; W495-L498 PolarHBondContact O-N 2.88Å; W495-L498 VanDerWaalsContact O-N 3.12Å; W495-E499 HydrophobicContact CD2-CG 4.06Å; W495-E499 HydrophobicContact CE3-CG 3.98Å; W495-E499 HydrophobicContact CH2-CG 3.58Å; W495-E499 HydrophobicContact CZ2-CG 3.67Å; W495-E499 WeakPolarHBondContact CZ2-OE1 3.15Å; W495-E499 HydrophobicContact CZ3-CG 3.75Å; W495-E499 PolarHBondContact O-N 3.48Å
496	N	90.2	Very high	87.7	Confident	81 Å²	81	35.3 Å²	35.3	43%	0.433	19%	0.185	S	C	.	.	H	α-helix	trans	-60.2	-34.3	175.7	-74.7	-35.2	0	0	0	112.2	L492 A493 S500	L492-N496 WeakPolarHBondContact O-CB 3.27Å; L492-N496 PolarHBondContact O-N 3.48Å; L492-N496 PolarHBondContact O-ND2 3.3Å; A493-N496 PolarHBondContact O-N 2.9Å; N496-S500 PolarHBondContact O-N 2.94Å
497	Y	93.5	Very high	86.9	Confident	24 Å²	24	36.5 Å²	36.5	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-62	-50.1	174.2	177.5	-94.6	0	0	0	110.9	A493 F494 W495 E499 S500 Q501 I558 M559 N562 Y563	A493-Y497 WeakPolarHBondContact O-CB 3.44Å; A493-Y497 PolarHBondContact O-N 3.45Å; F494-Y497 WeakPolarHBondContact O-CB 3.46Å; F494-Y497 PolarHBondContact O-N 3.5Å; W495-Y497 PolarHBondContact O-N 2.91Å; Y497-E499 VanDerWaalsContact C-N 3.32Å; Y497-E499 PolarHBondContact O-N 3.44Å; Y497-S500 PolarHBondContact O-N 3.47Å; Y497-S500 VanDerWaalsContact O-N 3.08Å; Y497-S500 PolarHBondContact O-OG 3.35Å; Y497-Q501 HydrophobicContact CD1-CG 4.33Å; Y497-Q501 HydrophobicContact CE1-CG 3.82Å; Y497-Q501 HydrophobicContact CE2-CG 4.19Å; Y497-Q501 WeakPolarHBondContact O-CG 3.5Å; Y497-Q501 PolarHBondContact O-N 3.36Å; Y497-Q501 VanDerWaalsContact O-N 3.08Å; Y497-I558 HydrophobicContact CD1-CG2 4.26Å; Y497-I558 HydrophobicContact CE1-CG2 3.68Å; Y497-M559 HydrophobicContact CD1-CG 3.95Å; Y497-M559 HydrophobicContact CD2-CG 4.39Å; Y497-M559 HydrophobicContact CE1-CG 4.37Å; Y497-M559 HydrophobicContact CG-CE 4.38Å; Y497-M559 HydrophobicContact CG-CG 3.96Å; Y497-N562 WeakPolarHBondContact OH-CA 3.35Å; Y497-N562 PolarHBondContact OH-OD1 2.92Å; Y497-Y563 PolarHBondContact OH-N 3.17Å; Y497-Y563 PolarHBondContact OH-O 2.99Å
498	L	87.8	Confident	86.2	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-41.7	177.2	-67	175.8	0	0	0	112.2	F494 W495 S500 Q501 E502 S503 L506 F508 I568	F494-L498 HydrophobicContact CD1-CD1 4.21Å; F494-L498 HydrophobicContact CE1-CD1 3.72Å; F494-L498 HydrophobicContact CE1-CG 4.32Å; F494-L498 HydrophobicContact CE2-CD1 4.45Å; F494-L498 HydrophobicContact CE2-CD2 4.17Å; F494-L498 HydrophobicContact CE2-CG 4.19Å; F494-L498 HydrophobicContact CZ-CD1 3.86Å; F494-L498 HydrophobicContact CZ-CD2 4.05Å; F494-L498 HydrophobicContact CZ-CG 4.07Å; F494-L498 WeakPolarHBondContact O-CG 3.41Å; F494-L498 PolarHBondContact O-N 3.31Å; W495-L498 PolarHBondContact O-N 2.88Å; W495-L498 VanDerWaalsContact O-N 3.12Å; L498-S500 VanDerWaalsContact C-N 3.34Å; L498-S500 PolarHBondContact O-N 3.24Å; L498-Q501 CarbonylContact O-C 3.59Å; L498-Q501 PolarHBondContact O-N 3.39Å; L498-E502 PolarHBondContact O-N 3.36Å; L498-E502 VanDerWaalsContact O-N 3.16Å; L498-S503 WeakPolarHBondContact O-CA 3.46Å; L498-S503 WeakPolarHBondContact O-CB 3.33Å; L498-S503 PolarHBondContact O-N 2.95Å; L498-L506 HydrophobicContact CD1-CD2 3.94Å; L498-F508 HydrophobicContact CD1-CZ 4.2Å; L498-F508 HydrophobicContact CD2-CE1 4.37Å; L498-F508 HydrophobicContact CD2-CZ 4.14Å; L498-I568 HydrophobicContact CD2-CD1 3.74Å
499	E	85.5	Confident	86	Confident	78 Å²	78	33.6 Å²	33.6	36%	0.364	18%	0.178	S	C	.	.	H	α-helix	trans	-59	-43.8	173.3	-69.4	-63.8	141.7	0	0	111.8	W495 Y497 Q501 E502 G504	W495-E499 HydrophobicContact CD2-CG 4.06Å; W495-E499 HydrophobicContact CE3-CG 3.98Å; W495-E499 HydrophobicContact CH2-CG 3.58Å; W495-E499 HydrophobicContact CZ2-CG 3.67Å; W495-E499 WeakPolarHBondContact CZ2-OE1 3.15Å; W495-E499 HydrophobicContact CZ3-CG 3.75Å; W495-E499 PolarHBondContact O-N 3.48Å; Y497-E499 VanDerWaalsContact C-N 3.32Å; Y497-E499 PolarHBondContact O-N 3.44Å; E499-Q501 PolarHBondContact O-N 3.18Å; E499-E502 WeakPolarHBondContact O-CA 3.05Å; E499-E502 PolarHBondContact O-N 2.79Å; E499-G504 WeakPolarHBondContact OE1-CA 3.4Å
500	S	85.8	Confident	85.5	Confident	74 Å²	74	34.4 Å²	34.4	52%	0.517	18%	0.181	S	C	.	.	H	α-helix	trans	-66.7	-20.9	178	77.3	0	0	0	0	114.2	N496 Y497 L498 E502	N496-S500 PolarHBondContact O-N 2.94Å; Y497-S500 PolarHBondContact O-N 3.47Å; Y497-S500 VanDerWaalsContact O-N 3.08Å; Y497-S500 PolarHBondContact O-OG 3.35Å; L498-S500 VanDerWaalsContact C-N 3.34Å; L498-S500 PolarHBondContact O-N 3.24Å; S500-E502 VanDerWaalsContact C-N 3.35Å
501	Q	81.3	Confident	85.1	Confident	45 Å²	45	35.7 Å²	35.7	21%	0.21	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	13.8	173.4	-55.7	-49	-57.7	0	0	111.7	Y497 L498 E499 S503	Y497-Q501 HydrophobicContact CD1-CG 4.33Å; Y497-Q501 HydrophobicContact CE1-CG 3.82Å; Y497-Q501 HydrophobicContact CE2-CG 4.19Å; Y497-Q501 WeakPolarHBondContact O-CG 3.5Å; Y497-Q501 PolarHBondContact O-N 3.36Å; Y497-Q501 VanDerWaalsContact O-N 3.08Å; L498-Q501 CarbonylContact O-C 3.59Å; L498-Q501 PolarHBondContact O-N 3.39Å; E499-Q501 PolarHBondContact O-N 3.18Å; Q501-S503 PolarHBondContact O-N 3.04Å; Q501-S503 PolarHBondContact O-OG 3.45Å
502	E	76	Confident	85.2	Confident	59 Å²	59	34 Å²	34	28%	0.276	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	28.8	178.7	-48.8	-178.3	-145.8	0	0	113.3	P254 E255 L498 E499 S500	P254-E502 HydrophobicContact CB-CB 3.83Å; P254-E502 VanDerWaalsContact CB-CD 3.42Å; P254-E502 HydrophobicContact CB-CG 3.99Å; P254-E502 WeakPolarHBondContact CB-OE2 3.36Å; P254-E502 VanDerWaalsContact CD-OE1 3.32Å; P254-E502 WeakPolarHBondContact CD-OE1 3.05Å; P254-E502 HydrophobicContact CG-CG 4.41Å; P254-E502 WeakPolarHBondContact CG-OE1 3.22Å; E255-E502 WeakPolarHBondContact CA-OE2 3.21Å; E255-E502 WeakPolarHBondContact CG-OE2 3.27Å; E255-E502 PolarHBondContact N-OE2 3.4Å; L498-E502 PolarHBondContact O-N 3.36Å; L498-E502 VanDerWaalsContact O-N 3.16Å; E499-E502 WeakPolarHBondContact O-CA 3.05Å; E499-E502 PolarHBondContact O-N 2.79Å; S500-E502 VanDerWaalsContact C-N 3.35Å
503	S	77	Confident	85.2	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.014	16%	0.161	C	C	.	.			trans	-105.1	14.3	-177.8	-62.8	0	0	0	0	111	L498 Q501 Y505 L506 F565	L498-S503 WeakPolarHBondContact O-CA 3.46Å; L498-S503 WeakPolarHBondContact O-CB 3.33Å; L498-S503 PolarHBondContact O-N 2.95Å; Q501-S503 PolarHBondContact O-N 3.04Å; Q501-S503 PolarHBondContact O-OG 3.45Å; S503-Y505 VanDerWaalsContact C-N 3.32Å; S503-Y505 PolarHBondContact O-N 3.25Å; S503-L506 PolarHBondContact O-N 2.97Å; S503-F565 WeakPolarHBondContact OG-CA 3.31Å; S503-F565 WeakPolarHBondContact OG-CD2 3.38Å
504	G	71	Confident	85	Confident	7 Å²	7	29.6 Å²	29.6	7%	0.072	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.6	-175.4	0	0	0	0	0	115.4	S484 E499 L506	S484-G504 PolarHBondContact OG-O 3.04Å; E499-G504 WeakPolarHBondContact OE1-CA 3.4Å; G504-L506 WeakPolarHBondContact O-CD1 3.48Å; G504-L506 PolarHBondContact O-N 3.01Å
505	Y	74.8	Confident	84.8	Confident	63 Å²	63	29.9 Å²	29.9	25%	0.247	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.1	175.2	-62	-59.6	0	0	0	114.2	I270 Q272 S503 Y507	I270-Y505 HydrophobicContact CB-CD1 3.85Å; I270-Y505 HydrophobicContact CB-CE1 3.83Å; I270-Y505 HydrophobicContact CD1-CD1 4Å; I270-Y505 HydrophobicContact CD1-CG 4.43Å; I270-Y505 HydrophobicContact CG2-CD1 3.67Å; I270-Y505 HydrophobicContact CG2-CE1 3.54Å; I270-Y505 PolarHBondContact O-OH 3.48Å; Q272-Y505 WeakPolarHBondContact CG-OH 3.37Å; S503-Y505 VanDerWaalsContact C-N 3.32Å; S503-Y505 PolarHBondContact O-N 3.25Å; Y505-Y507 VanDerWaalsContact C-N 3.29Å; Y505-Y507 VanDerWaalsContact CB-CE2 3.46Å; Y505-Y507 AromaticContact CD2-CE2 3.83Å; Y505-Y507 HydrophobicContact CD2-CE2 3.83Å; Y505-Y507 AromaticContact CG-CE2 3.96Å; Y505-Y507 HydrophobicContact CG-CE2 3.96Å; Y505-Y507 PolarHBondContact O-N 3.15Å
506	L	82.2	Confident	84.9	Confident	2 Å²	2	29 Å²	29	1%	0.01	14%	0.141	C	C	.	.			trans	57.8	35.7	173.6	-53.2	129.2	0	0	0	114	L480 L483 S484 L487 L498 S503 G504 F508 C509 L551	L480-L506 HydrophobicContact CD2-CB 4.24Å; L480-L506 WeakPolarHBondContact CD2-O 3.45Å; L483-L506 HydrophobicContact CG-CD1 4.39Å; S484-L506 VanDerWaalsContact CB-CD1 3.42Å; L487-L506 HydrophobicContact CD1-CD1 4.35Å; L487-L506 HydrophobicContact CD1-CD2 3.31Å; L487-L506 HydrophobicContact CD1-CG 4.49Å; L498-L506 HydrophobicContact CD1-CD2 3.94Å; S503-L506 PolarHBondContact O-N 2.97Å; G504-L506 WeakPolarHBondContact O-CD1 3.48Å; G504-L506 PolarHBondContact O-N 3.01Å; L506-F508 HydrophobicContact CB-CE1 4.5Å; L506-F508 HydrophobicContact CB-CZ 4.28Å; L506-F508 HydrophobicContact CD2-CE2 4.21Å; L506-F508 HydrophobicContact CD2-CZ 3.75Å; L506-F508 HydrophobicContact CG-CZ 4.38Å; L506-F508 PolarHBondContact O-N 3.25Å; L506-C509 WeakPolarHBondContact O-CB 3.43Å; L506-C509 PolarHBondContact O-N 2.98Å; L506-L551 HydrophobicContact CD2-CD1 4.44Å
507	Y	79.1	Confident	85.2	Confident	24 Å²	24	25.3 Å²	25.3	9%	0.094	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-58.5	-23	-179.3	-68.6	-64.2	0	0	0	113.8	L261 L268 I270 L480 Y505 C509 F510	L261-Y507 HydrophobicContact CB-CD2 4.17Å; L261-Y507 HydrophobicContact CB-CE1 4.36Å; L261-Y507 HydrophobicContact CB-CE2 3.91Å; L261-Y507 HydrophobicContact CB-CG 4.47Å; L261-Y507 HydrophobicContact CD1-CD1 4.4Å; L261-Y507 HydrophobicContact CD1-CD2 3.19Å; L261-Y507 HydrophobicContact CD1-CE2 3.76Å; L261-Y507 HydrophobicContact CD1-CG 3.55Å; L261-Y507 HydrophobicContact CG-CD2 4.16Å; L261-Y507 HydrophobicContact CG-CE2 4.38Å; L261-Y507 HydrophobicContact CG-CG 4.36Å; L268-Y507 HydrophobicContact CD2-CD1 4.11Å; L268-Y507 HydrophobicContact CD2-CE1 3.67Å; L268-Y507 HydrophobicContact CG-CE1 4.28Å; I270-Y507 HydrophobicContact CD1-CE1 4.27Å; L480-Y507 HydrophobicContact CD1-CD1 4.33Å; Y505-Y507 VanDerWaalsContact C-N 3.29Å; Y505-Y507 VanDerWaalsContact CB-CE2 3.46Å; Y505-Y507 AromaticContact CD2-CE2 3.83Å; Y505-Y507 HydrophobicContact CD2-CE2 3.83Å; Y505-Y507 AromaticContact CG-CE2 3.96Å; Y505-Y507 HydrophobicContact CG-CE2 3.96Å; Y505-Y507 PolarHBondContact O-N 3.15Å; Y507-C509 PolarHBondContact O-N 3.45Å; Y507-F510 WeakPolarHBondContact O-CB 3.49Å; Y507-F510 PolarHBondContact O-N 2.86Å
508	F	81.3	Confident	85.2	Confident	7 Å²	7	24.5 Å²	24.5	3%	0.031	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-64.4	-15.7	171.1	54.5	-97	0	0	0	113.7	L498 L506 L551 I568 L569 I572	L498-F508 HydrophobicContact CD1-CZ 4.2Å; L498-F508 HydrophobicContact CD2-CE1 4.37Å; L498-F508 HydrophobicContact CD2-CZ 4.14Å; L506-F508 HydrophobicContact CB-CE1 4.5Å; L506-F508 HydrophobicContact CB-CZ 4.28Å; L506-F508 HydrophobicContact CD2-CE2 4.21Å; L506-F508 HydrophobicContact CD2-CZ 3.75Å; L506-F508 HydrophobicContact CG-CZ 4.38Å; L506-F508 PolarHBondContact O-N 3.25Å; F508-L551 HydrophobicContact CE2-CD2 3.87Å; F508-I568 HydrophobicContact CD1-CG2 3.71Å; F508-I568 HydrophobicContact CD2-CG2 4.2Å; F508-I568 HydrophobicContact CE1-CG2 3.82Å; F508-I568 HydrophobicContact CE2-CG2 4.27Å; F508-I568 HydrophobicContact CG-CG2 3.91Å; F508-I568 HydrophobicContact CZ-CG2 4.07Å; F508-L569 HydrophobicContact CB-CB 4.44Å; F508-L569 HydrophobicContact CB-CD1 3.78Å; F508-I572 HydrophobicContact CD2-CG1 4.04Å
509	C	87.6	Confident	85.4	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-91.5	-1.4	171	-65.5	0	0	0	0	113.6	L480 L483 L506 Y507 R511 W512 L513	L480-C509 HydrophobicContact CD2-CB 4.32Å; L483-C509 HydrophobicContact CD2-CB 3.93Å; L506-C509 WeakPolarHBondContact O-CB 3.43Å; L506-C509 PolarHBondContact O-N 2.98Å; Y507-C509 PolarHBondContact O-N 3.45Å; C509-R511 PolarHBondContact O-N 3.33Å; C509-W512 HydrophobicContact CB-CE3 4.02Å; C509-W512 WeakPolarHBondContact O-CB 3.25Å; C509-W512 PolarHBondContact O-N 3.08Å; C509-W512 VanDerWaalsContact O-N 3.13Å; C509-W512 VanDerWaalsContact SG-CE3 3.52Å; C509-W512 VanDerWaalsContact SG-CZ3 3.55Å; C509-L513 PolarHBondContact O-N 2.92Å
510	F	82.6	Confident	85.6	Confident	30 Å²	30	23.5 Å²	23.5	13%	0.132	11%	0.111	C	C	.	.	H	α-helix	trans	-57.6	-48.5	-176	-177.4	-89.1	0	0	0	112	I265 L268 M473 M476 Y507 W512 L513 L514	I265-F510 HydrophobicContact CD1-CE2 4.46Å; I265-F510 HydrophobicContact CD1-CZ 4.46Å; L268-F510 HydrophobicContact CD1-CE2 4.18Å; L268-F510 HydrophobicContact CD2-CD2 3.99Å; L268-F510 HydrophobicContact CD2-CE2 3.74Å; M473-F510 HydrophobicContact SD-CE2 4.33Å; M473-F510 HydrophobicContact SD-CZ 4.06Å; M476-F510 HydrophobicContact CB-CE2 4.25Å; M476-F510 HydrophobicContact CE-CD1 4.41Å; M476-F510 HydrophobicContact CE-CD2 3.45Å; M476-F510 VanDerWaalsContact CE-CD2 3.45Å; M476-F510 HydrophobicContact CE-CE2 3.6Å; M476-F510 HydrophobicContact CE-CG 3.88Å; M476-F510 HydrophobicContact CE-CZ 4.16Å; M476-F510 WeakPolarHBondContact CE-O 3.37Å; M476-F510 HydrophobicContact CG-CE2 4.14Å; Y507-F510 WeakPolarHBondContact O-CB 3.49Å; Y507-F510 PolarHBondContact O-N 2.86Å; F510-W512 VanDerWaalsContact C-N 3.28Å; F510-W512 PolarHBondContact O-N 2.97Å; F510-L513 PolarHBondContact O-N 3.05Å; F510-L514 HydrophobicContact CD1-CD2 4.48Å; F510-L514 HydrophobicContact CE1-CB 4.39Å; F510-L514 HydrophobicContact CE1-CD2 3.7Å; F510-L514 HydrophobicContact CZ-CD2 4.27Å; F510-L514 WeakPolarHBondContact O-CB 3.4Å; F510-L514 PolarHBondContact O-N 3.45Å
511	R	84.9	Confident	86	Confident	63 Å²	63	20.3 Å²	20.3	24%	0.238	9%	0.088	C	C	.	.	H	α-helix	trans	-61.4	-37.9	178.2	-171	174.3	75.7	-163.3	0.2	111.7	C509 L513 I515 E520 N573	C509-R511 PolarHBondContact O-N 3.33Å; R511-L513 PolarHBondContact O-N 2.88Å; R511-I515 HydrophobicContact CG-CD1 3.78Å; R511-I515 HydrophobicContact CG-CG1 4.05Å; R511-I515 WeakPolarHBondContact O-CG1 3.37Å; R511-I515 PolarHBondContact O-N 2.88Å; R511-E520 IonicContact CZ-OE1 3.53Å; R511-E520 VanDerWaalsContact CZ-OE1 3.31Å; R511-E520 IonicContact CZ-OE2 3.31Å; R511-E520 IonicContact NE-OE1 3.81Å; R511-E520 PolarHBondContact NE-OE1 3.31Å; R511-E520 IonicContact NH2-OE1 2.88Å; R511-E520 PolarHBondContact NH2-OE1 3.5Å; R511-E520 IonicContact NH2-OE2 3.05Å; R511-E520 PolarHBondContact NH2-OE2 3.18Å; R511-N573 PolarHBondContact NH1-OD1 3.29Å; R511-N573 PolarHBondContact NH2-OD1 3.23Å
512	W	94.1	Very high	86.6	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-61.2	-45.6	179.4	-63.8	-3	0	0	0	112.1	C509 F510 R516 F517 E520 C547 I550 L551 I572	C509-W512 HydrophobicContact CB-CE3 4.02Å; C509-W512 WeakPolarHBondContact O-CB 3.25Å; C509-W512 PolarHBondContact O-N 3.08Å; C509-W512 VanDerWaalsContact O-N 3.13Å; C509-W512 VanDerWaalsContact SG-CE3 3.52Å; C509-W512 VanDerWaalsContact SG-CZ3 3.55Å; F510-W512 VanDerWaalsContact C-N 3.28Å; F510-W512 PolarHBondContact O-N 2.97Å; W512-R516 CarbonylContact O-C 3.48Å; W512-R516 VanDerWaalsContact O-CA 3.23Å; W512-R516 WeakPolarHBondContact O-CA 3.38Å; W512-R516 PolarHBondContact O-N 3.42Å; W512-R516 VanDerWaalsContact O-N 3.12Å; W512-F517 HydrophobicContact CB-CD1 3.71Å; W512-F517 HydrophobicContact CB-CE1 3.6Å; W512-F517 HydrophobicContact CB-CZ 4.32Å; W512-F517 HydrophobicContact CD2-CD1 4.35Å; W512-F517 HydrophobicContact CD2-CE1 4.11Å; W512-F517 HydrophobicContact CE3-CE1 4.06Å; W512-F517 AromaticContact CG-CD1 3.95Å; W512-F517 HydrophobicContact CG-CD1 3.95Å; W512-F517 AromaticContact CG-CE1 3.99Å; W512-F517 HydrophobicContact CG-CE1 3.99Å; W512-F517 PolarHBondContact O-N 3.28Å; W512-E520 VanDerWaalsContact CD1-OE1 3.28Å; W512-E520 HydrophobicContact CG-CG 4.28Å; W512-C547 HydrophobicContact CE3-CB 4.35Å; W512-I550 HydrophobicContact CH2-CB 4Å; W512-I550 HydrophobicContact CH2-CD1 4.46Å; W512-I550 HydrophobicContact CH2-CG2 3.43Å; W512-I550 VanDerWaalsContact CH2-CG2 3.43Å; W512-I550 HydrophobicContact CZ2-CG2 3.93Å; W512-I550 HydrophobicContact CZ3-CB 4.22Å; W512-I550 HydrophobicContact CZ3-CD1 4.43Å; W512-I550 HydrophobicContact CZ3-CG2 4.16Å; W512-L551 HydrophobicContact CH2-CD2 4.06Å; W512-L551 HydrophobicContact CH2-CG 4.39Å; W512-L551 HydrophobicContact CZ3-CD2 4.12Å; W512-L551 HydrophobicContact CZ3-CG 4.07Å; W512-I572 HydrophobicContact CH2-CD1 3.83Å; W512-I572 HydrophobicContact CH2-CG2 4.19Å; W512-I572 HydrophobicContact CZ2-CD1 3.99Å; W512-I572 HydrophobicContact CZ2-CG2 3.43Å; W512-I572 VanDerWaalsContact CZ2-CG2 3.43Å
513	L	92.1	Very high	87.5	Confident	0 Å²	0	21 Å²	21	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-75.2	-45.2	-177.7	-66.2	173.3	0	0	0	112	M476 Q479 L480 C509 F510 R511 I515 R516 L544	M476-L513 HydrophobicContact CE-CB 3.84Å; M476-L513 HydrophobicContact SD-CB 4.27Å; Q479-L513 HydrophobicContact CB-CD1 3.96Å; L480-L513 HydrophobicContact CD2-CD1 3.74Å; L480-L513 HydrophobicContact CG-CD1 4.14Å; C509-L513 PolarHBondContact O-N 2.92Å; F510-L513 PolarHBondContact O-N 3.05Å; R511-L513 PolarHBondContact O-N 2.88Å; L513-I515 PolarHBondContact O-N 3.11Å; L513-R516 PolarHBondContact O-N 3.3Å; L513-L544 HydrophobicContact CD2-CD2 3.82Å
514	L	88.2	Confident	88.4	Confident	18 Å²	18	23.8 Å²	23.8	9%	0.094	11%	0.111	C	C	.	.	H	α-helix	trans	-60.5	-45.8	-175.7	-174.9	68.5	0	0	0	112.3	M465 N468 F469 M476 F510	M465-L514 WeakPolarHBondContact CE-O 3.49Å; N468-L514 HydrophobicContact CB-CD1 4.4Å; F469-L514 HydrophobicContact CD1-CD1 3.9Å; F469-L514 HydrophobicContact CE1-CD1 3.49Å; F469-L514 VanDerWaalsContact CE1-CD1 3.49Å; F469-L514 HydrophobicContact CE1-CD2 4.49Å; F469-L514 HydrophobicContact CE1-CG 3.91Å; F469-L514 HydrophobicContact CE2-CD1 4.38Å; F469-L514 HydrophobicContact CZ-CD1 3.76Å; F469-L514 HydrophobicContact CZ-CG 4.08Å; F469-L514 WeakPolarHBondContact CZ-O 3.34Å; M476-L514 HydrophobicContact CE-CB 3.98Å; M476-L514 HydrophobicContact CG-CD1 4.39Å; M476-L514 HydrophobicContact SD-CB 4.11Å; M476-L514 HydrophobicContact SD-CD1 4Å; F510-L514 HydrophobicContact CD1-CD2 4.48Å; F510-L514 HydrophobicContact CE1-CB 4.39Å; F510-L514 HydrophobicContact CE1-CD2 3.7Å; F510-L514 HydrophobicContact CZ-CD2 4.27Å; F510-L514 WeakPolarHBondContact O-CB 3.4Å; F510-L514 PolarHBondContact O-N 3.45Å
515	I	90.9	Very high	89.7	Confident	8 Å²	8	25 Å²	25	4%	0.041	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	24.2	-176.6	55.6	165.8	0	0	0	113	G436 D439 L440 R511 L513 F517 K518 R519	G436-I515 VanDerWaalsContact CA-CG2 3.42Å; D439-I515 HydrophobicContact CB-CB 4.46Å; D439-I515 HydrophobicContact CB-CG2 4.18Å; L440-I515 HydrophobicContact CD2-CB 4.4Å; R511-I515 HydrophobicContact CG-CD1 3.78Å; R511-I515 HydrophobicContact CG-CG1 4.05Å; R511-I515 WeakPolarHBondContact O-CG1 3.37Å; R511-I515 PolarHBondContact O-N 2.88Å; L513-I515 PolarHBondContact O-N 3.11Å; I515-F517 VanDerWaalsContact C-N 3.31Å; I515-F517 PolarHBondContact O-N 3.41Å; I515-K518 HydrophobicContact CB-CB 4.39Å; I515-K518 HydrophobicContact CD1-CB 4.36Å; I515-K518 WeakPolarHBondContact O-CB 3.32Å; I515-K518 PolarHBondContact O-N 3.05Å; I515-R519 HydrophobicContact CD1-CB 3.87Å; I515-R519 HydrophobicContact CD1-CG 3.27Å
516	R	96.3	Very high	90.9	Very high	21 Å²	21	22 Å²	22	8%	0.079	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.9	53.4	176.1	-65.7	-62.2	-167	-155	1	113.2	L440 F461 M465 W512 L513 K518 W530 H543	L440-R516 HydrophobicContact CD2-CB 4.47Å; F461-R516 HydrophobicContact CE2-CG 4.34Å; F461-R516 HydrophobicContact CZ-CB 4.44Å; F461-R516 HydrophobicContact CZ-CG 3.97Å; M465-R516 HydrophobicContact CE-CG 3.85Å; M465-R516 HydrophobicContact SD-CG 3.9Å; M465-R516 PolarHBondContact SD-NE 3.2Å; M465-R516 PolarHBondContact SD-NH2 2.87Å; W512-R516 CarbonylContact O-C 3.48Å; W512-R516 VanDerWaalsContact O-CA 3.23Å; W512-R516 WeakPolarHBondContact O-CA 3.38Å; W512-R516 PolarHBondContact O-N 3.42Å; W512-R516 VanDerWaalsContact O-N 3.12Å; L513-R516 PolarHBondContact O-N 3.3Å; R516-K518 PolarHBondContact O-N 3.18Å; R516-K518 VanDerWaalsContact O-N 3.12Å; R516-W530 HydrophobicContact CB-CZ2 4.35Å; R516-W530 PolarHBondContact O-NE1 2.97Å; R516-H543 PolarHBondContact NH1-CD2 3.48Å; R516-H543 PolarHBondContact NH1-ND1 2.93Å; R516-H543 PolarHBondContact NH1-NE2 2.9Å; R516-H543 VanDerWaalsContact NH1-NE2 3.15Å
517	F	97.3	Very high	91.6	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.009	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	11.6	177	-48.7	-90	0	0	0	116.1	W512 I515 R519 E520 L521 L529 M533 H543 V546 C547 I550	W512-F517 HydrophobicContact CB-CD1 3.71Å; W512-F517 HydrophobicContact CB-CE1 3.6Å; W512-F517 HydrophobicContact CB-CZ 4.32Å; W512-F517 HydrophobicContact CD2-CD1 4.35Å; W512-F517 HydrophobicContact CD2-CE1 4.11Å; W512-F517 HydrophobicContact CE3-CE1 4.06Å; W512-F517 AromaticContact CG-CD1 3.95Å; W512-F517 HydrophobicContact CG-CD1 3.95Å; W512-F517 AromaticContact CG-CE1 3.99Å; W512-F517 HydrophobicContact CG-CE1 3.99Å; W512-F517 PolarHBondContact O-N 3.28Å; I515-F517 VanDerWaalsContact C-N 3.31Å; I515-F517 PolarHBondContact O-N 3.41Å; F517-R519 PolarHBondContact O-N 3.4Å; F517-E520 HydrophobicContact CB-CG 4.35Å; F517-E520 PolarHBondContact O-N 3.43Å; F517-L521 HydrophobicContact CB-CD1 4.28Å; F517-L521 PolarHBondContact O-N 3.43Å; F517-L529 HydrophobicContact CB-CD2 3.9Å; F517-L529 HydrophobicContact CD2-CD2 3.8Å; F517-L529 HydrophobicContact CG-CD2 4.07Å; F517-M533 HydrophobicContact CD2-CE 3.94Å; F517-M533 HydrophobicContact CE2-CE 3.71Å; F517-H543 HydrophobicContact CE2-CB 4.48Å; F517-V546 HydrophobicContact CD1-CG1 4.46Å; F517-V546 HydrophobicContact CD2-CG1 4.28Å; F517-V546 HydrophobicContact CE1-CG1 3.94Å; F517-V546 HydrophobicContact CE2-CB 4.18Å; F517-V546 HydrophobicContact CE2-CG1 3.77Å; F517-V546 HydrophobicContact CZ-CB 3.98Å; F517-V546 HydrophobicContact CZ-CG1 3.56Å; F517-C547 WeakPolarHBondContact CZ-SG 3.16Å; F517-I550 HydrophobicContact CD1-CD1 4Å; F517-I550 HydrophobicContact CE1-CD1 3.8Å
518	K	94.4	Very high	92.6	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.035	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-32	-177.4	171.7	60.9	175.3	55.7	0	114.3	D400 D439 P443 I515 R516 V526 W530	D400-K518 IonicContact OD1-NZ 3.49Å; D400-K518 PolarHBondContact OD1-NZ 3.37Å; D400-K518 VanDerWaalsContact OD2-CE 3.28Å; D400-K518 WeakPolarHBondContact OD2-CE 3.31Å; D400-K518 IonicContact OD2-NZ 2.59Å; D400-K518 PolarHBondContact OD2-NZ 2.98Å; D439-K518 HydrophobicContact CB-CG 4.01Å; D439-K518 IonicContact OD1-NZ 2.89Å; P443-K518 HydrophobicContact CG-CD 3.84Å; I515-K518 HydrophobicContact CB-CB 4.39Å; I515-K518 HydrophobicContact CD1-CB 4.36Å; I515-K518 WeakPolarHBondContact O-CB 3.32Å; I515-K518 PolarHBondContact O-N 3.05Å; R516-K518 PolarHBondContact O-N 3.18Å; R516-K518 VanDerWaalsContact O-N 3.12Å; K518-V526 HydrophobicContact CD-CG1 3.92Å; K518-V526 HydrophobicContact CD-CG2 4.12Å; K518-W530 HydrophobicContact CB-CZ2 4.23Å
519	R	90.9	Very high	93.4	Very high	59 Å²	59	22.9 Å²	22.9	22%	0.223	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.8	179.7	-71.6	-76.9	-174.9	-117.3	-7.5	113.7	D400 D439 I515 F517 S576 M577	D400-R519 IonicContact OD1-NH1 3.18Å; D400-R519 PolarHBondContact OD1-NH1 3.14Å; D439-R519 IonicContact OD1-CZ 3.97Å; D439-R519 IonicContact OD1-NE 3.88Å; D439-R519 IonicContact OD1-NH1 3.7Å; D439-R519 PolarHBondContact OD1-NH1 3.2Å; D439-R519 VanDerWaalsContact OD1-NH1 3.12Å; D439-R519 IonicContact OD1-NH2 3.03Å; D439-R519 PolarHBondContact OD1-NH2 3.38Å; D439-R519 IonicContact OD2-CZ 2.74Å; D439-R519 VanDerWaalsContact OD2-CZ 3.31Å; D439-R519 IonicContact OD2-NE 2.7Å; D439-R519 IonicContact OD2-NH2 3.28Å; D439-R519 PolarHBondContact OD2-NH2 3.48Å; I515-R519 HydrophobicContact CD1-CB 3.87Å; I515-R519 HydrophobicContact CD1-CG 3.27Å; F517-R519 PolarHBondContact O-N 3.4Å; R519-S576 PolarHBondContact O-OG 2.96Å; R519-M577 WeakPolarHBondContact O-CE 3.21Å
520	E	89.6	Confident	93.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-20.5	-175	-40	-46.8	148	0	0	112.5	R511 W512 F517 M577 L579	R511-E520 IonicContact CZ-OE1 3.53Å; R511-E520 VanDerWaalsContact CZ-OE1 3.31Å; R511-E520 IonicContact CZ-OE2 3.31Å; R511-E520 IonicContact NE-OE1 3.81Å; R511-E520 PolarHBondContact NE-OE1 3.31Å; R511-E520 IonicContact NH2-OE1 2.88Å; R511-E520 PolarHBondContact NH2-OE1 3.5Å; R511-E520 IonicContact NH2-OE2 3.05Å; R511-E520 PolarHBondContact NH2-OE2 3.18Å; W512-E520 VanDerWaalsContact CD1-OE1 3.28Å; W512-E520 HydrophobicContact CG-CG 4.28Å; F517-E520 HydrophobicContact CB-CG 4.35Å; F517-E520 PolarHBondContact O-N 3.43Å; E520-M577 PolarHBondContact O-N 3.12Å; E520-L579 HydrophobicContact CB-CD1 3.81Å
521	L	94	Very high	94.7	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.031	10%	0.102	C	C	.	.	S	Bend	trans	-119.6	150.8	-173.7	-66.6	169.1	0	0	0	110.8	F517 D525 V526 L529 M577 L579 I581	F517-L521 HydrophobicContact CB-CD1 4.28Å; F517-L521 PolarHBondContact O-N 3.43Å; L521-D525 HydrophobicContact CB-CB 4.07Å; L521-D525 HydrophobicContact CD2-CB 4.36Å; L521-V526 HydrophobicContact CB-CG2 3.74Å; L521-L529 HydrophobicContact CD1-CB 4.24Å; L521-L529 HydrophobicContact CD1-CD2 3.44Å; L521-L529 VanDerWaalsContact CD1-CD2 3.44Å; L521-L529 HydrophobicContact CD1-CG 4.46Å; L521-M577 VanDerWaalsContact C-SD 3.52Å; L521-M577 VanDerWaalsContact O-SD 3.42Å; L521-L579 HydrophobicContact CD2-CB 3.77Å; L521-I581 HydrophobicContact CD1-CD1 3.98Å; L521-I581 HydrophobicContact CD2-CB 4.46Å
522	I	94.6	Very high	95.3	Very high	79 Å²	79	18.5 Å²	18.5	41%	0.405	9%	0.091	S	C	.	.			trans	-63.2	154.6	169.9	62.2	170.1	0	0	0	110.3	S524 D525 V526 M577	I522-S524 VanDerWaalsContact C-N 3.3Å; I522-S524 WeakPolarHBondContact CD1-OG 3.49Å; I522-S524 PolarHBondContact O-N 3.24Å; I522-S524 VanDerWaalsContact O-N 3.14Å; I522-D525 HydrophobicContact CG1-CB 3.75Å; I522-D525 WeakPolarHBondContact CG1-OD2 3.36Å; I522-D525 WeakPolarHBondContact O-CB 3.17Å; I522-D525 PolarHBondContact O-N 2.92Å; I522-V526 PolarHBondContact O-N 3.23Å; I522-M577 HydrophobicContact CG2-SD 4.08Å
523	F	95.1	Very high	95.5	Very high	41 Å²	41	19.7 Å²	19.7	18%	0.18	10%	0.096	C	C	.	.	H	α-helix	trans	-54.7	-41.8	-169.9	-161.9	-86.6	0	0	0	113.6	N403 P443 F446 D525 V526 L527	N403-F523 WeakPolarHBondContact ND2-CD2 3.38Å; N403-F523 WeakPolarHBondContact ND2-CE2 3.45Å; P443-F523 HydrophobicContact CB-CZ 4.2Å; P443-F523 HydrophobicContact CG-CE2 4.3Å; P443-F523 HydrophobicContact CG-CZ 4.34Å; F446-F523 HydrophobicContact CB-CE1 4Å; F446-F523 HydrophobicContact CB-CZ 3.74Å; F446-F523 AromaticContact CD1-CE1 3.52Å; F446-F523 HydrophobicContact CD1-CE1 3.52Å; F446-F523 HydrophobicContact CD1-CZ 4.18Å; F446-F523 AromaticContact CD2-CE1 3.94Å; F446-F523 HydrophobicContact CD2-CE1 3.94Å; F446-F523 HydrophobicContact CD2-CZ 4.12Å; F446-F523 AromaticContact CE1-CE1 3.93Å; F446-F523 HydrophobicContact CE1-CE1 3.93Å; F446-F523 HydrophobicContact CE2-CE1 4.32Å; F446-F523 AromaticContact CG-CE1 3.53Å; F446-F523 HydrophobicContact CG-CE1 3.53Å; F446-F523 AromaticContact CG-CZ 3.75Å; F446-F523 HydrophobicContact CG-CZ 3.75Å; F446-F523 HydrophobicContact CZ-CE1 4.32Å; F523-D525 VanDerWaalsContact C-N 3.3Å; F523-D525 PolarHBondContact O-N 3.48Å; F523-V526 PolarHBondContact O-N 2.81Å; F523-L527 HydrophobicContact CE1-CD2 4.19Å; F523-L527 WeakPolarHBondContact O-CG 3.12Å; F523-L527 PolarHBondContact O-N 3.38Å
524	S	96.3	Very high	95.8	Very high	59 Å²	59	20 Å²	20	41%	0.413	10%	0.098	S	C	.	.	H	α-helix	trans	-63.6	-34.2	176.9	53	0	0	0	0	113.7	I522 L527 R528	I522-S524 VanDerWaalsContact C-N 3.3Å; I522-S524 WeakPolarHBondContact CD1-OG 3.49Å; I522-S524 PolarHBondContact O-N 3.24Å; I522-S524 VanDerWaalsContact O-N 3.14Å; S524-L527 WeakPolarHBondContact O-CB 3.15Å; S524-L527 PolarHBondContact O-N 3.34Å; S524-R528 PolarHBondContact O-N 2.79Å
525	D	97.9	Very high	96.3	Very high	32 Å²	32	19.2 Å²	19.2	17%	0.171	9%	0.094	C	C	.	.	H	α-helix	trans	-78.4	-32.8	-177.1	-71.1	3.9	0	0	0	110.9	L521 I522 F523 L527 R528 L529 I581	L521-D525 HydrophobicContact CB-CB 4.07Å; L521-D525 HydrophobicContact CD2-CB 4.36Å; I522-D525 HydrophobicContact CG1-CB 3.75Å; I522-D525 WeakPolarHBondContact CG1-OD2 3.36Å; I522-D525 WeakPolarHBondContact O-CB 3.17Å; I522-D525 PolarHBondContact O-N 2.92Å; F523-D525 VanDerWaalsContact C-N 3.3Å; F523-D525 PolarHBondContact O-N 3.48Å; D525-L527 VanDerWaalsContact C-N 3.34Å; D525-R528 PolarHBondContact O-N 3.43Å; D525-L529 WeakPolarHBondContact O-CB 3.22Å; D525-L529 PolarHBondContact O-N 3.38Å; D525-I581 HydrophobicContact CB-CB 3.96Å; D525-I581 HydrophobicContact CB-CG1 4.32Å; D525-I581 HydrophobicContact CB-CG2 3.99Å; D525-I581 VanDerWaalsContact CG-CG2 3.46Å; D525-I581 WeakPolarHBondContact OD2-CG2 3.09Å
526	V	98.5	Very high	96.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-58.2	-47.1	168.6	177.6	0	0	0	0	110.6	P443 K518 L521 I522 F523 R528 L529 W530	P443-V526 HydrophobicContact CG-CG1 4.17Å; K518-V526 HydrophobicContact CD-CG1 3.92Å; K518-V526 HydrophobicContact CD-CG2 4.12Å; L521-V526 HydrophobicContact CB-CG2 3.74Å; I522-V526 PolarHBondContact O-N 3.23Å; F523-V526 PolarHBondContact O-N 2.81Å; V526-R528 VanDerWaalsContact C-N 3.28Å; V526-R528 PolarHBondContact O-N 3.44Å; V526-L529 PolarHBondContact O-N 3.31Å; V526-W530 HydrophobicContact CG1-CD2 3.85Å; V526-W530 VanDerWaalsContact CG1-CE2 3.49Å; V526-W530 HydrophobicContact CG1-CE3 4.34Å; V526-W530 HydrophobicContact CG1-CG 4.34Å; V526-W530 HydrophobicContact CG1-CH2 4.19Å; V526-W530 HydrophobicContact CG1-CZ2 3.69Å; V526-W530 PolarHBondContact O-N 2.93Å
527	L	98.6	Very high	96.7	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-56.1	-46.3	176.7	-55.6	-175.9	0	0	0	110.8	W337 P443 F446 V447 F523 S524 D525 E531	W337-L527 HydrophobicContact CH2-CB 4.33Å; W337-L527 HydrophobicContact CH2-CD2 3.43Å; W337-L527 VanDerWaalsContact CH2-CD2 3.43Å; W337-L527 HydrophobicContact CH2-CG 4.45Å; W337-L527 HydrophobicContact CZ2-CB 3.93Å; W337-L527 HydrophobicContact CZ2-CD2 3.85Å; W337-L527 HydrophobicContact CZ2-CG 4.44Å; W337-L527 HydrophobicContact CZ3-CD2 4.39Å; P443-L527 HydrophobicContact CB-CD2 3.67Å; F446-L527 HydrophobicContact CD1-CD1 4.45Å; F446-L527 HydrophobicContact CE1-CD1 4.28Å; V447-L527 HydrophobicContact CG2-CD1 4.26Å; V447-L527 HydrophobicContact CG2-CD2 3.93Å; F523-L527 HydrophobicContact CE1-CD2 4.19Å; F523-L527 WeakPolarHBondContact O-CG 3.12Å; F523-L527 PolarHBondContact O-N 3.38Å; S524-L527 WeakPolarHBondContact O-CB 3.15Å; S524-L527 PolarHBondContact O-N 3.34Å; D525-L527 VanDerWaalsContact C-N 3.34Å; L527-E531 VanDerWaalsContact O-CD 3.28Å; L527-E531 WeakPolarHBondContact O-CG 2.98Å; L527-E531 PolarHBondContact O-N 3.18Å; L527-E531 VanDerWaalsContact O-N 3.08Å
528	R	98.5	Very high	96.7	Very high	45 Å²	45	26.2 Å²	26.2	17%	0.17	13%	0.13	C	C	.	.	H	α-helix	trans	-67.1	-41.4	-179.1	-167.1	175.4	-163.4	-153.3	-1.8	112.5	G326 S524 D525 V526 V532 E582	G326-R528 PolarHBondContact O-NE 3.06Å; G326-R528 PolarHBondContact O-NH2 3.17Å; S524-R528 PolarHBondContact O-N 2.79Å; D525-R528 PolarHBondContact O-N 3.43Å; V526-R528 VanDerWaalsContact C-N 3.28Å; V526-R528 PolarHBondContact O-N 3.44Å; R528-V532 VanDerWaalsContact O-CG2 3.31Å; R528-V532 WeakPolarHBondContact O-CG2 3.39Å; R528-V532 PolarHBondContact O-N 3.42Å; R528-E582 IonicContact CZ-OE2 3.38Å; R528-E582 IonicContact NH1-OE2 3.32Å; R528-E582 PolarHBondContact NH1-OE2 3.04Å; R528-E582 IonicContact NH2-OE2 3.48Å; R528-E582 PolarHBondContact NH2-OE2 3.32Å
529	L	98.8	Very high	96.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-47.3	178.7	-179.1	56.2	0	0	0	110.9	F517 L521 D525 V526 V532 M533 V546 I581 L585	F517-L529 HydrophobicContact CB-CD2 3.9Å; F517-L529 HydrophobicContact CD2-CD2 3.8Å; F517-L529 HydrophobicContact CG-CD2 4.07Å; L521-L529 HydrophobicContact CD1-CB 4.24Å; L521-L529 HydrophobicContact CD1-CD2 3.44Å; L521-L529 VanDerWaalsContact CD1-CD2 3.44Å; L521-L529 HydrophobicContact CD1-CG 4.46Å; D525-L529 WeakPolarHBondContact O-CB 3.22Å; D525-L529 PolarHBondContact O-N 3.38Å; V526-L529 PolarHBondContact O-N 3.31Å; L529-V532 PolarHBondContact O-N 2.93Å; L529-M533 HydrophobicContact CD1-CE 3.49Å; L529-M533 VanDerWaalsContact CD1-CE 3.49Å; L529-M533 HydrophobicContact CD1-CG 4.37Å; L529-M533 HydrophobicContact CD1-SD 4.5Å; L529-M533 HydrophobicContact CD2-CE 3.91Å; L529-M533 HydrophobicContact CG-CE 3.66Å; L529-M533 HydrophobicContact CG-SD 4.33Å; L529-M533 WeakPolarHBondContact O-CG 3.37Å; L529-M533 PolarHBondContact O-N 3Å; L529-V546 HydrophobicContact CD1-CG1 4.46Å; L529-V546 HydrophobicContact CD1-CG2 4.25Å; L529-I581 HydrophobicContact CB-CD1 3.8Å; L529-I581 HydrophobicContact CD1-CD1 3.91Å; L529-I581 HydrophobicContact CD2-CD1 4.36Å; L529-I581 HydrophobicContact CG-CD1 4.23Å; L529-L585 HydrophobicContact CD1-CD2 3.79Å
530	W	98.8	Very high	96.9	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-40.2	-178.5	-68.9	3.1	0	0	0	112.1	W337 L440 P443 I444 F461 R516 K518 V526 V532 M533 W534	W337-W530 HydrophobicContact CH2-CE3 4.33Å; L440-W530 HydrophobicContact CD2-CH2 4.3Å; L440-W530 HydrophobicContact CD2-CZ2 4.15Å; L440-W530 WeakPolarHBondContact O-CH2 3.45Å; L440-W530 WeakPolarHBondContact O-CZ3 3.39Å; P443-W530 HydrophobicContact CB-CE3 4.13Å; P443-W530 HydrophobicContact CB-CH2 4.11Å; P443-W530 HydrophobicContact CB-CZ3 3.55Å; P443-W530 HydrophobicContact CG-CE3 4.4Å; P443-W530 HydrophobicContact CG-CH2 3.53Å; P443-W530 HydrophobicContact CG-CZ2 4.43Å; P443-W530 HydrophobicContact CG-CZ3 3.53Å; I444-W530 HydrophobicContact CG1-CZ3 4.42Å; F461-W530 HydrophobicContact CE1-CE3 4.38Å; F461-W530 HydrophobicContact CE1-CH2 4.07Å; F461-W530 HydrophobicContact CE1-CZ2 4.38Å; F461-W530 HydrophobicContact CE1-CZ3 4.05Å; R516-W530 HydrophobicContact CB-CZ2 4.35Å; R516-W530 PolarHBondContact O-NE1 2.97Å; K518-W530 HydrophobicContact CB-CZ2 4.23Å; V526-W530 HydrophobicContact CG1-CD2 3.85Å; V526-W530 VanDerWaalsContact CG1-CE2 3.49Å; V526-W530 HydrophobicContact CG1-CE3 4.34Å; V526-W530 HydrophobicContact CG1-CG 4.34Å; V526-W530 HydrophobicContact CG1-CH2 4.19Å; V526-W530 HydrophobicContact CG1-CZ2 3.69Å; V526-W530 PolarHBondContact O-N 2.93Å; W530-V532 VanDerWaalsContact C-N 3.26Å; W530-V532 PolarHBondContact O-N 3.04Å; W530-M533 PolarHBondContact O-N 3.5Å; W530-W534 HydrophobicContact CB-CD2 4.22Å; W530-W534 HydrophobicContact CB-CE3 4.17Å; W530-W534 HydrophobicContact CB-CH2 3.83Å; W530-W534 HydrophobicContact CB-CZ2 3.85Å; W530-W534 HydrophobicContact CB-CZ3 3.97Å; W530-W534 HydrophobicContact CD2-CH2 4.27Å; W530-W534 HydrophobicContact CD2-CZ2 4.1Å; W530-W534 AromaticContact CE3-CH2 3.59Å; W530-W534 HydrophobicContact CE3-CH2 3.59Å; W530-W534 AromaticContact CE3-CZ2 3.69Å; W530-W534 HydrophobicContact CE3-CZ2 3.69Å; W530-W534 HydrophobicContact CG-CH2 4.43Å; W530-W534 HydrophobicContact CG-CZ2 4.22Å; W530-W534 HydrophobicContact CZ3-CH2 4.47Å; W530-W534 WeakPolarHBondContact O-CB 3.42Å; W530-W534 VanDerWaalsContact O-CD2 3.28Å; W530-W534 VanDerWaalsContact O-CG 3.25Å; W530-W534 PolarHBondContact O-N 3.13Å
531	E	98.7	Very high	97.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-53.1	-45	171.7	-75.4	162.6	-177.7	0	0	112.5	I323 L328 R333 W337 L527 T535	I323-E531 HydrophobicContact CG2-CB 4.36Å; L328-E531 HydrophobicContact CD1-CG 3.91Å; L328-E531 HydrophobicContact CG-CG 4.27Å; L328-E531 PolarHBondContact N-OE2 2.82Å; R333-E531 WeakPolarHBondContact CD-OE1 3.35Å; R333-E531 VanDerWaalsContact CG-OE1 3.25Å; R333-E531 WeakPolarHBondContact CG-OE1 3.39Å; R333-E531 IonicContact CZ-OE1 2.68Å; R333-E531 IonicContact NE-OE1 3.71Å; R333-E531 PolarHBondContact NE-OE1 3.32Å; R333-E531 IonicContact NH2-OE1 3.79Å; W337-E531 HydrophobicContact CZ2-CG 4.09Å; W337-E531 PolarHBondContact NE1-OE1 3Å; L527-E531 VanDerWaalsContact O-CD 3.28Å; L527-E531 WeakPolarHBondContact O-CG 2.98Å; L527-E531 PolarHBondContact O-N 3.18Å; L527-E531 VanDerWaalsContact O-N 3.08Å; E531-T535 VanDerWaalsContact O-CG2 3.29Å; E531-T535 WeakPolarHBondContact O-CG2 3.16Å
532	V	98.6	Very high	97.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.5	-43.6	179.7	174.1	0	0	0	0	110.5	F324 R528 L529 W530 T535 F542 L585	F324-V532 HydrophobicContact CD2-CG1 3.53Å; F324-V532 HydrophobicContact CE2-CG1 3.76Å; F324-V532 HydrophobicContact CG-CG1 4.47Å; R528-V532 VanDerWaalsContact O-CG2 3.31Å; R528-V532 WeakPolarHBondContact O-CG2 3.39Å; R528-V532 PolarHBondContact O-N 3.42Å; L529-V532 PolarHBondContact O-N 2.93Å; W530-V532 VanDerWaalsContact C-N 3.26Å; W530-V532 PolarHBondContact O-N 3.04Å; V532-T535 WeakPolarHBondContact O-CB 3.4Å; V532-T535 PolarHBondContact O-N 3.37Å; V532-T535 PolarHBondContact O-OG1 2.75Å; V532-F542 HydrophobicContact CG1-CE1 3.94Å; V532-L585 HydrophobicContact CB-CD2 4.43Å; V532-L585 HydrophobicContact CG1-CD2 3.99Å; V532-L585 HydrophobicContact CG2-CD1 4.2Å
533	M	98.4	Very high	97.6	Very high	26 Å²	26	27.7 Å²	27.7	13%	0.128	14%	0.138	C	C	.	.	H	α-helix	trans	-64.4	-43.3	178.9	-70.3	-173.1	-180	0	0	112.8	F517 L529 W530 T535 E536 F542 H543 V546	F517-M533 HydrophobicContact CD2-CE 3.94Å; F517-M533 HydrophobicContact CE2-CE 3.71Å; L529-M533 HydrophobicContact CD1-CE 3.49Å; L529-M533 VanDerWaalsContact CD1-CE 3.49Å; L529-M533 HydrophobicContact CD1-CG 4.37Å; L529-M533 HydrophobicContact CD1-SD 4.5Å; L529-M533 HydrophobicContact CD2-CE 3.91Å; L529-M533 HydrophobicContact CG-CE 3.66Å; L529-M533 HydrophobicContact CG-SD 4.33Å; L529-M533 WeakPolarHBondContact O-CG 3.37Å; L529-M533 PolarHBondContact O-N 3Å; W530-M533 PolarHBondContact O-N 3.5Å; M533-T535 PolarHBondContact O-N 2.81Å; M533-T535 VanDerWaalsContact O-N 3.13Å; M533-E536 PolarHBondContact O-N 2.78Å; M533-F542 HydrophobicContact CG-CD1 4.49Å; M533-H543 HydrophobicContact CE-CB 3.75Å; M533-H543 HydrophobicContact SD-CB 3.9Å; M533-V546 HydrophobicContact CE-CB 4.18Å; M533-V546 HydrophobicContact CE-CG1 4.33Å; M533-V546 HydrophobicContact CE-CG2 3.87Å
534	W	98.4	Very high	97.8	Very high	8 Å²	8	25.7 Å²	25.7	3%	0.03	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-3.9	-179.7	-61.1	-36.3	0	0	0	114	W337 L340 L341 I444 F461 W530 E536	W337-W534 HydrophobicContact CD2-CH2 4.39Å; W337-W534 AromaticContact CD2-CZ3 3.63Å; W337-W534 HydrophobicContact CD2-CZ3 3.63Å; W337-W534 AromaticContact CE2-CZ3 3.8Å; W337-W534 AromaticContact CE3-CH2 3.9Å; W337-W534 HydrophobicContact CE3-CH2 3.9Å; W337-W534 AromaticContact CE3-CZ3 3.6Å; W337-W534 HydrophobicContact CE3-CZ3 3.6Å; W337-W534 HydrophobicContact CG-CZ3 4.21Å; W337-W534 AromaticContact CH2-CH2 3.94Å; W337-W534 HydrophobicContact CH2-CH2 3.94Å; W337-W534 AromaticContact CH2-CZ3 3.84Å; W337-W534 HydrophobicContact CH2-CZ3 3.84Å; W337-W534 HydrophobicContact CZ2-CH2 4.46Å; W337-W534 AromaticContact CZ2-CZ3 3.91Å; W337-W534 HydrophobicContact CZ2-CZ3 3.91Å; W337-W534 AromaticContact CZ3-CH2 3.67Å; W337-W534 HydrophobicContact CZ3-CH2 3.67Å; W337-W534 AromaticContact CZ3-CZ3 3.72Å; W337-W534 HydrophobicContact CZ3-CZ3 3.72Å; L340-W534 HydrophobicContact CB-CB 3.96Å; L341-W534 HydrophobicContact CD1-CE3 4.39Å; L341-W534 HydrophobicContact CD1-CH2 3.84Å; L341-W534 HydrophobicContact CD1-CZ2 4.23Å; L341-W534 HydrophobicContact CD1-CZ3 3.94Å; L341-W534 HydrophobicContact CD2-CD2 3.67Å; L341-W534 VanDerWaalsContact CD2-CE2 3.43Å; L341-W534 HydrophobicContact CD2-CE3 4.11Å; L341-W534 HydrophobicContact CD2-CG 4.1Å; L341-W534 HydrophobicContact CD2-CH2 4.09Å; L341-W534 HydrophobicContact CD2-CZ2 3.67Å; L341-W534 HydrophobicContact CD2-CZ3 4.3Å; L341-W534 HydrophobicContact CG-CD2 4.12Å; L341-W534 HydrophobicContact CG-CE3 4.06Å; L341-W534 HydrophobicContact CG-CH2 4.25Å; L341-W534 HydrophobicContact CG-CZ2 4.33Å; L341-W534 HydrophobicContact CG-CZ3 4.12Å; I444-W534 HydrophobicContact CG1-CH2 4.28Å; F461-W534 HydrophobicContact CD1-CZ2 4.24Å; F461-W534 HydrophobicContact CD2-CZ2 4.22Å; F461-W534 AromaticContact CD2-NE1 3.58Å; F461-W534 HydrophobicContact CE1-CZ2 4.19Å; F461-W534 HydrophobicContact CE2-CZ2 4.24Å; F461-W534 AromaticContact CE2-NE1 3.56Å; F461-W534 HydrophobicContact CG-CZ2 4.23Å; F461-W534 HydrophobicContact CZ-CZ2 4.21Å; W530-W534 HydrophobicContact CB-CD2 4.22Å; W530-W534 HydrophobicContact CB-CE3 4.17Å; W530-W534 HydrophobicContact CB-CH2 3.83Å; W530-W534 HydrophobicContact CB-CZ2 3.85Å; W530-W534 HydrophobicContact CB-CZ3 3.97Å; W530-W534 HydrophobicContact CD2-CH2 4.27Å; W530-W534 HydrophobicContact CD2-CZ2 4.1Å; W530-W534 AromaticContact CE3-CH2 3.59Å; W530-W534 HydrophobicContact CE3-CH2 3.59Å; W530-W534 AromaticContact CE3-CZ2 3.69Å; W530-W534 HydrophobicContact CE3-CZ2 3.69Å; W530-W534 HydrophobicContact CG-CH2 4.43Å; W530-W534 HydrophobicContact CG-CZ2 4.22Å; W530-W534 HydrophobicContact CZ3-CH2 4.47Å; W530-W534 WeakPolarHBondContact O-CB 3.42Å; W530-W534 VanDerWaalsContact O-CD2 3.28Å; W530-W534 VanDerWaalsContact O-CG 3.25Å; W530-W534 PolarHBondContact O-N 3.13Å; W534-E536 PolarHBondContact O-N 2.83Å
535	T	98.2	Very high	97.9	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.8	166	67.8	0	0	0	0	113	R320 I323 F324 L340 E531 V532 M533 L537	R320-T535 PolarHBondContact NH1-O 2.81Å; I323-T535 HydrophobicContact CB-CG2 3.84Å; I323-T535 HydrophobicContact CG2-CG2 3.58Å; F324-T535 HydrophobicContact CB-CG2 4.13Å; L340-T535 HydrophobicContact CD2-CG2 4.18Å; E531-T535 VanDerWaalsContact O-CG2 3.29Å; E531-T535 WeakPolarHBondContact O-CG2 3.16Å; V532-T535 WeakPolarHBondContact O-CB 3.4Å; V532-T535 PolarHBondContact O-N 3.37Å; V532-T535 PolarHBondContact O-OG1 2.75Å; M533-T535 PolarHBondContact O-N 2.81Å; M533-T535 VanDerWaalsContact O-N 3.13Å; T535-L537 PolarHBondContact O-N 2.86Å; T535-L537 WeakPolarHBondContact OG1-CB 2.75Å; T535-L537 PolarHBondContact OG1-N 2.92Å
536	E	96.9	Very high	98	Very high	118 Å²	118	21.4 Å²	21.4	55%	0.551	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	22.3	-173.3	-53.9	169.6	148.2	0	0	112.8	R320 M533 W534	R320-E536 IonicContact CZ-OE2 2.67Å; R320-E536 IonicContact NH1-OE2 2.81Å; R320-E536 PolarHBondContact NH1-OE2 3.41Å; M533-E536 PolarHBondContact O-N 2.78Å; W534-E536 PolarHBondContact O-N 2.83Å
537	L	97.8	Very high	98	Very high	44 Å²	44	21.4 Å²	21.4	23%	0.23	10%	0.102	C	C	.	.			trans	-109.7	153.2	176.9	-63.7	171.2	0	0	0	111	R320 Q321 F324 T535	R320-L537 HydrophobicContact CB-CD1 4.1Å; Q321-L537 HydrophobicContact CB-CD1 4.41Å; F324-L537 HydrophobicContact CB-CB 4.06Å; F324-L537 HydrophobicContact CB-CD1 3.93Å; F324-L537 HydrophobicContact CD1-CB 4.37Å; F324-L537 HydrophobicContact CD2-CB 3.73Å; F324-L537 WeakPolarHBondContact CD2-O 3.31Å; F324-L537 HydrophobicContact CE2-CB 4.36Å; F324-L537 VanDerWaalsContact CE2-O 3.22Å; F324-L537 WeakPolarHBondContact CE2-O 3.12Å; F324-L537 HydrophobicContact CG-CB 3.77Å; F324-L537 HydrophobicContact CG-CD1 4.4Å; T535-L537 PolarHBondContact O-N 2.86Å; T535-L537 WeakPolarHBondContact OG1-CB 2.75Å; T535-L537 PolarHBondContact OG1-N 2.92Å
538	P	97.2	Very high	98	Very high	16 Å²	16	21.2 Å²	21.2	10%	0.104	10%	0.101	C	C	.	.	S	Bend	cis	-91.5	0.9	-5.2	40.1	-33.5	0	0	0	112.8	F324 F542 Y592	F324-P538 HydrophobicContact CE2-CG 4.39Å; F324-P538 HydrophobicContact CZ-CB 4.26Å; F324-P538 HydrophobicContact CZ-CG 3.96Å; P538-F542 HydrophobicContact CG-CD2 4.17Å; P538-F542 HydrophobicContact CG-CE2 4.3Å; P538-Y592 HydrophobicContact CB-CD1 3.76Å; P538-Y592 HydrophobicContact CB-CD2 4.28Å; P538-Y592 HydrophobicContact CB-CE1 3.5Å; P538-Y592 VanDerWaalsContact CB-CE1 3.5Å; P538-Y592 HydrophobicContact CB-CE2 3.99Å; P538-Y592 HydrophobicContact CB-CG 4.14Å; P538-Y592 HydrophobicContact CG-CD1 3.45Å; P538-Y592 VanDerWaalsContact CG-CD1 3.45Å; P538-Y592 HydrophobicContact CG-CD2 3.67Å; P538-Y592 HydrophobicContact CG-CE1 3.74Å; P538-Y592 HydrophobicContact CG-CE2 3.89Å; P538-Y592 HydrophobicContact CG-CG 3.4Å; P538-Y592 VanDerWaalsContact CG-CG 3.4Å; P538-Y592 WeakPolarHBondContact O-CE2 3.42Å; P538-Y592 VanDerWaalsContact O-CZ 3.28Å; P538-Y592 PolarHBondContact O-OH 3.02Å
539	C	96.9	Very high	98	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.034	9%	0.093	C	C	.	.	S	Bend	trans	-145.7	163.8	-178.1	52.7	0	0	0	0	110.7	N541 Y592 L609	C539-N541 PolarHBondContact O-N 2.98Å; C539-Y592 HydrophobicContact CB-CD2 3.87Å; C539-Y592 HydrophobicContact CB-CE2 3.68Å; C539-L609 HydrophobicContact CB-CB 4.18Å; C539-L609 HydrophobicContact CB-CD2 4.38Å; C539-L609 VanDerWaalsContact CB-O 3.24Å; C539-L609 WeakPolarHBondContact CB-O 3.42Å
540	Q	92.9	Very high	98	Very high	131 Å²	131	19.2 Å²	19.2	61%	0.612	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-46.8	-177.6	-173.4	172.1	-1.5	0	0	113.2	L609	Q540-L609 PolarHBondContact N-O 3.25Å
541	N	96.8	Very high	97.9	Very high	27 Å²	27	19.1 Å²	19.1	14%	0.144	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	50.9	-175.7	-67.7	-50.9	0	0	0	112.6	C539 H543 L544 I608	C539-N541 PolarHBondContact O-N 2.98Å; N541-H543 PolarHBondContact O-N 3.06Å; N541-H543 VanDerWaalsContact O-N 3.14Å; N541-H543 PolarHBondContact OD1-CE1 3.49Å; N541-L544 HydrophobicContact CB-CD1 3.86Å; N541-L544 HydrophobicContact CB-CG 4.09Å; N541-L544 WeakPolarHBondContact O-CB 3.49Å; N541-L544 PolarHBondContact O-N 2.78Å; N541-I608 PolarHBondContact ND2-O 3.43Å
542	F	98.5	Very high	97.8	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.026	10%	0.103	C	C	.	.	H	α-helix	trans	-57.9	-29.9	-177.5	-174.6	-120.1	0	0	0	113.8	F324 V532 M533 P538 L544 L545 V546 L585 A588	F324-F542 HydrophobicContact CE2-CD1 4.41Å; F324-F542 AromaticContact CE2-CE1 4Å; F324-F542 HydrophobicContact CE2-CE1 4Å; F324-F542 HydrophobicContact CE2-CE2 4.42Å; F324-F542 AromaticContact CE2-CZ 4Å; F324-F542 HydrophobicContact CE2-CZ 4Å; F324-F542 HydrophobicContact CZ-CZ 4.32Å; V532-F542 HydrophobicContact CG1-CE1 3.94Å; M533-F542 HydrophobicContact CG-CD1 4.49Å; P538-F542 HydrophobicContact CG-CD2 4.17Å; P538-F542 HydrophobicContact CG-CE2 4.3Å; F542-L544 PolarHBondContact O-N 2.87Å; F542-L545 HydrophobicContact CD2-CB 4.29Å; F542-L545 HydrophobicContact CD2-CD1 4.28Å; F542-L545 WeakPolarHBondContact O-CB 3.33Å; F542-L545 PolarHBondContact O-N 2.8Å; F542-V546 HydrophobicContact CD1-CG2 4.33Å; F542-V546 HydrophobicContact CE1-CG2 4.08Å; F542-V546 HydrophobicContact CZ-CG2 4.46Å; F542-V546 PolarHBondContact O-N 2.79Å; F542-V546 VanDerWaalsContact O-N 3.09Å; F542-L585 HydrophobicContact CE1-CD2 3.99Å; F542-L585 HydrophobicContact CZ-CD2 4.4Å; F542-A588 HydrophobicContact CE2-CB 3.8Å; F542-A588 HydrophobicContact CZ-CB 3.72Å
543	H	98.5	Very high	97.8	Very high	13 Å²	13	23.1 Å²	23.1	6%	0.06	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-28.5	175.7	62.5	-95.7	0	0	0	113.8	R516 F517 M533 N541 V546 C547	R516-H543 PolarHBondContact NH1-CD2 3.48Å; R516-H543 PolarHBondContact NH1-ND1 2.93Å; R516-H543 PolarHBondContact NH1-NE2 2.9Å; R516-H543 VanDerWaalsContact NH1-NE2 3.15Å; F517-H543 HydrophobicContact CE2-CB 4.48Å; M533-H543 HydrophobicContact CE-CB 3.75Å; M533-H543 HydrophobicContact SD-CB 3.9Å; N541-H543 PolarHBondContact O-N 3.06Å; N541-H543 VanDerWaalsContact O-N 3.14Å; N541-H543 PolarHBondContact OD1-CE1 3.49Å; H543-V546 WeakPolarHBondContact O-CB 3Å; H543-V546 PolarHBondContact O-N 2.62Å; H543-C547 PolarHBondContact O-N 3.35Å
544	L	98.7	Very high	97.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-71.6	-36.1	174.5	-58.7	-178.6	0	0	0	111	Q479 Q482 L483 L486 L513 N541 F542 V546 C547 C548 I608	Q479-L544 HydrophobicContact CB-CD2 4.17Å; Q482-L544 HydrophobicContact CB-CD1 3.65Å; L483-L544 HydrophobicContact CB-CD2 4.35Å; L486-L544 HydrophobicContact CD1-CB 3.63Å; L486-L544 HydrophobicContact CD1-CD1 3.99Å; L486-L544 HydrophobicContact CD1-CG 4.48Å; L513-L544 HydrophobicContact CD2-CD2 3.82Å; N541-L544 HydrophobicContact CB-CD1 3.86Å; N541-L544 HydrophobicContact CB-CG 4.09Å; N541-L544 WeakPolarHBondContact O-CB 3.49Å; N541-L544 PolarHBondContact O-N 2.78Å; F542-L544 PolarHBondContact O-N 2.87Å; L544-V546 PolarHBondContact O-N 3.14Å; L544-C547 WeakPolarHBondContact O-CB 3.24Å; L544-C547 PolarHBondContact O-N 2.82Å; L544-C547 VanDerWaalsContact O-N 3.16Å; L544-C548 PolarHBondContact O-N 2.86Å; L544-C548 PolarHBondContact O-SG 3.3Å; L544-C548 VanDerWaalsContact O-SG 3.33Å; L544-I608 HydrophobicContact CD1-CG2 3.97Å
545	L	98.7	Very high	97.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68.5	-27.1	173.8	-58.1	-172.5	0	0	0	112.1	L486 F542 C548 A549 A588 I591 Y592 I595 L609	L486-L545 HydrophobicContact CD1-CD2 4.19Å; L486-L545 HydrophobicContact CD2-CD2 4.34Å; F542-L545 HydrophobicContact CD2-CB 4.29Å; F542-L545 HydrophobicContact CD2-CD1 4.28Å; F542-L545 WeakPolarHBondContact O-CB 3.33Å; F542-L545 PolarHBondContact O-N 2.8Å; L545-C548 PolarHBondContact O-N 3.05Å; L545-A549 WeakPolarHBondContact O-CB 3.34Å; L545-A549 PolarHBondContact O-N 3Å; L545-A588 HydrophobicContact CB-CB 4.32Å; L545-I591 HydrophobicContact CD2-CG2 3.92Å; L545-Y592 HydrophobicContact CD1-CD2 4.3Å; L545-Y592 HydrophobicContact CD1-CG 4.47Å; L545-I595 HydrophobicContact CD2-CD1 4.25Å; L545-L609 HydrophobicContact CD1-CD2 4.14Å; L545-L609 HydrophobicContact CD2-CD2 4.09Å; L545-L609 HydrophobicContact CG-CD2 4.16Å
546	V	98.8	Very high	97.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-43.5	169.1	173.4	0	0	0	0	111	F517 L529 M533 F542 H543 L544 C548 A549 I550 I584 A588	F517-V546 HydrophobicContact CD1-CG1 4.46Å; F517-V546 HydrophobicContact CD2-CG1 4.28Å; F517-V546 HydrophobicContact CE1-CG1 3.94Å; F517-V546 HydrophobicContact CE2-CB 4.18Å; F517-V546 HydrophobicContact CE2-CG1 3.77Å; F517-V546 HydrophobicContact CZ-CB 3.98Å; F517-V546 HydrophobicContact CZ-CG1 3.56Å; L529-V546 HydrophobicContact CD1-CG1 4.46Å; L529-V546 HydrophobicContact CD1-CG2 4.25Å; M533-V546 HydrophobicContact CE-CB 4.18Å; M533-V546 HydrophobicContact CE-CG1 4.33Å; M533-V546 HydrophobicContact CE-CG2 3.87Å; F542-V546 HydrophobicContact CD1-CG2 4.33Å; F542-V546 HydrophobicContact CE1-CG2 4.08Å; F542-V546 HydrophobicContact CZ-CG2 4.46Å; F542-V546 PolarHBondContact O-N 2.79Å; F542-V546 VanDerWaalsContact O-N 3.09Å; H543-V546 WeakPolarHBondContact O-CB 3Å; H543-V546 PolarHBondContact O-N 2.62Å; L544-V546 PolarHBondContact O-N 3.14Å; V546-C548 PolarHBondContact O-N 2.95Å; V546-A549 PolarHBondContact O-N 3.12Å; V546-I550 HydrophobicContact CG1-CD1 4.33Å; V546-I550 WeakPolarHBondContact O-CG1 3.4Å; V546-I550 PolarHBondContact O-N 3.08Å; V546-I550 VanDerWaalsContact O-N 3.14Å; V546-I584 HydrophobicContact CG1-CG2 3.7Å; V546-A588 HydrophobicContact CG2-CB 4.08Å
547	C	98.8	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.1	-49.1	170.7	-66.7	0	0	0	0	111.2	L483 W512 F517 H543 L544 A549 I550 L551	L483-C547 HydrophobicContact CD1-CB 3.52Å; L483-C547 HydrophobicContact CD2-CB 3.89Å; L483-C547 HydrophobicContact CG-CB 4.38Å; W512-C547 HydrophobicContact CE3-CB 4.35Å; F517-C547 WeakPolarHBondContact CZ-SG 3.16Å; H543-C547 PolarHBondContact O-N 3.35Å; L544-C547 WeakPolarHBondContact O-CB 3.24Å; L544-C547 PolarHBondContact O-N 2.82Å; L544-C547 VanDerWaalsContact O-N 3.16Å; C547-A549 VanDerWaalsContact C-N 3.31Å; C547-A549 PolarHBondContact O-N 2.65Å; C547-I550 PolarHBondContact O-N 2.98Å; C547-L551 WeakPolarHBondContact O-CG 3.03Å; C547-L551 PolarHBondContact O-N 3.31Å
548	C	98.6	Very high	97.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-60	-39.4	178.7	-63.3	0	0	0	0	112.4	L490 L544 L545 V546 L551 D552 I591	L490-C548 HydrophobicContact CD1-CB 3.67Å; L544-C548 PolarHBondContact O-N 2.86Å; L544-C548 PolarHBondContact O-SG 3.3Å; L544-C548 VanDerWaalsContact O-SG 3.33Å; L545-C548 PolarHBondContact O-N 3.05Å; V546-C548 PolarHBondContact O-N 2.95Å; C548-L551 PolarHBondContact O-N 3.27Å; C548-D552 WeakPolarHBondContact O-CB 3.23Å; C548-D552 PolarHBondContact O-N 3.39Å; C548-I591 HydrophobicContact CB-CD1 4.12Å
549	A	98.6	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-38.6	178.2	0	0	0	0	0	113	L545 V546 C547 S553 I584 K587 A588 I591	L545-A549 WeakPolarHBondContact O-CB 3.34Å; L545-A549 PolarHBondContact O-N 3Å; V546-A549 PolarHBondContact O-N 3.12Å; C547-A549 VanDerWaalsContact C-N 3.31Å; C547-A549 PolarHBondContact O-N 2.65Å; A549-S553 PolarHBondContact O-OG 3.47Å; A549-I584 HydrophobicContact CB-CG2 4.44Å; A549-K587 HydrophobicContact CB-CB 3.75Å; A549-A588 HydrophobicContact CB-CB 3.95Å; A549-I591 HydrophobicContact CB-CD1 4.22Å
550	I	98.4	Very high	97.3	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-53	174.4	-61.8	164.5	0	0	0	109	W512 F517 V546 C547 D552 S553 E554 L575 L579 I584	W512-I550 HydrophobicContact CH2-CB 4Å; W512-I550 HydrophobicContact CH2-CD1 4.46Å; W512-I550 HydrophobicContact CH2-CG2 3.43Å; W512-I550 VanDerWaalsContact CH2-CG2 3.43Å; W512-I550 HydrophobicContact CZ2-CG2 3.93Å; W512-I550 HydrophobicContact CZ3-CB 4.22Å; W512-I550 HydrophobicContact CZ3-CD1 4.43Å; W512-I550 HydrophobicContact CZ3-CG2 4.16Å; F517-I550 HydrophobicContact CD1-CD1 4Å; F517-I550 HydrophobicContact CE1-CD1 3.8Å; V546-I550 HydrophobicContact CG1-CD1 4.33Å; V546-I550 WeakPolarHBondContact O-CG1 3.4Å; V546-I550 PolarHBondContact O-N 3.08Å; V546-I550 VanDerWaalsContact O-N 3.14Å; C547-I550 PolarHBondContact O-N 2.98Å; I550-D552 VanDerWaalsContact C-N 3.32Å; I550-D552 PolarHBondContact O-N 3.16Å; I550-S553 VanDerWaalsContact O-CB 3.27Å; I550-S553 WeakPolarHBondContact O-CB 3.33Å; I550-S553 PolarHBondContact O-N 2.81Å; I550-E554 PolarHBondContact O-N 3.26Å; I550-L575 HydrophobicContact CG2-CD1 4.43Å; I550-L579 HydrophobicContact CD1-CD1 3.86Å; I550-L579 HydrophobicContact CG1-CD1 4.29Å; I550-L579 HydrophobicContact CG2-CD1 4.45Å; I550-L579 HydrophobicContact CG2-CD2 4.08Å; I550-I584 HydrophobicContact CD1-CD1 4.24Å; I550-I584 HydrophobicContact CG1-CD1 3.79Å; I550-I584 HydrophobicContact CG1-CG1 4.03Å; I550-I584 HydrophobicContact CG1-CG2 4.32Å
551	L	98.1	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-36.9	-178.3	-66.6	173.1	0	0	0	113.3	L487 F494 L506 F508 W512 C547 C548 S553 E554 K555 I572	L487-L551 HydrophobicContact CD1-CD1 3.68Å; L487-L551 HydrophobicContact CD2-CB 4.41Å; L487-L551 HydrophobicContact CD2-CD1 4.08Å; L487-L551 HydrophobicContact CG-CD1 4.45Å; F494-L551 HydrophobicContact CE1-CB 4.28Å; L506-L551 HydrophobicContact CD2-CD1 4.44Å; F508-L551 HydrophobicContact CE2-CD2 3.87Å; W512-L551 HydrophobicContact CH2-CD2 4.06Å; W512-L551 HydrophobicContact CH2-CG 4.39Å; W512-L551 HydrophobicContact CZ3-CD2 4.12Å; W512-L551 HydrophobicContact CZ3-CG 4.07Å; C547-L551 WeakPolarHBondContact O-CG 3.03Å; C547-L551 PolarHBondContact O-N 3.31Å; C548-L551 PolarHBondContact O-N 3.27Å; L551-S553 PolarHBondContact O-N 3.08Å; L551-E554 PolarHBondContact O-N 2.72Å; L551-K555 PolarHBondContact O-N 3.05Å; L551-I572 HydrophobicContact CD2-CD1 4.04Å
552	D	97	Very high	97.2	Very high	36 Å²	36	40.7 Å²	40.7	19%	0.193	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-25.4	175.5	-176.3	72	0	0	0	112.7	R289 C548 I550 K555	R289-D552 IonicContact CZ-OD2 3.95Å; R289-D552 IonicContact NH1-OD2 2.8Å; R289-D552 PolarHBondContact NH1-OD2 2.99Å; R289-D552 IonicContact NH2-OD1 2.84Å; R289-D552 PolarHBondContact NH2-OD1 3.27Å; R289-D552 IonicContact NH2-OD2 2.72Å; R289-D552 PolarHBondContact NH2-OD2 3.18Å; C548-D552 WeakPolarHBondContact O-CB 3.23Å; C548-D552 PolarHBondContact O-N 3.39Å; I550-D552 VanDerWaalsContact C-N 3.32Å; I550-D552 PolarHBondContact O-N 3.16Å; D552-K555 WeakPolarHBondContact OD1-CE 3.36Å; D552-K555 IonicContact OD1-NZ 3.82Å; D552-K555 PolarHBondContact OD1-NZ 3.17Å
553	S	96.8	Very high	96.7	Very high	48 Å²	48	42.6 Å²	42.6	34%	0.336	21%	0.206	S	C	.	.	H	α-helix	trans	-78.4	-29.1	174.6	-50.4	0	0	0	0	112.5	A549 I550 L551 K587	A549-S553 PolarHBondContact O-OG 3.47Å; I550-S553 VanDerWaalsContact O-CB 3.27Å; I550-S553 WeakPolarHBondContact O-CB 3.33Å; I550-S553 PolarHBondContact O-N 2.81Å; L551-S553 PolarHBondContact O-N 3.08Å; S553-K587 PolarHBondContact OG-NZ 3.1Å
554	E	96.7	Very high	95.8	Very high	34 Å²	34	42.6 Å²	42.6	16%	0.159	21%	0.21	C	C	.	.	H	α-helix	trans	-101.7	-15.2	-171.2	-57.4	-57	138.8	0	0	113.5	I550 L551 Q556 K557 I558 H571 L575	I550-E554 PolarHBondContact O-N 3.26Å; L551-E554 PolarHBondContact O-N 2.72Å; E554-Q556 VanDerWaalsContact C-N 3.3Å; E554-Q556 PolarHBondContact O-N 2.69Å; E554-K557 PolarHBondContact O-N 3.01Å; E554-I558 HydrophobicContact CB-CD1 4.07Å; E554-I558 WeakPolarHBondContact O-CG1 3.28Å; E554-I558 PolarHBondContact O-N 3.44Å; E554-I558 VanDerWaalsContact O-N 3.07Å; E554-H571 IonicContact OE2-CD2 3.43Å; E554-H571 IonicContact OE2-CE1 2.83Å; E554-H571 PolarHBondContact OE2-CE1 3.05Å; E554-H571 IonicContact OE2-NE2 3.91Å; E554-H571 PolarHBondContact OE2-NE2 2.79Å; E554-L575 HydrophobicContact CG-CD1 3.61Å
555	K	96.1	Very high	94.8	Very high	43 Å²	43	43.8 Å²	43.8	19%	0.187	22%	0.215	C	C	.	.	H	α-helix	trans	-54.6	-40	-173.6	68.6	-176.6	-179.2	-173.7	0	114.2	D491 F494 L551 D552 I558 M559	D491-K555 WeakPolarHBondContact OD2-CD 3.48Å; D491-K555 WeakPolarHBondContact OD2-CE 3.3Å; D491-K555 IonicContact OD2-NZ 3.29Å; D491-K555 PolarHBondContact OD2-NZ 3.07Å; F494-K555 HydrophobicContact CB-CB 4.47Å; F494-K555 HydrophobicContact CD1-CB 4.09Å; F494-K555 HydrophobicContact CD2-CB 3.69Å; F494-K555 HydrophobicContact CE1-CB 4.21Å; F494-K555 HydrophobicContact CE2-CB 3.83Å; F494-K555 HydrophobicContact CG-CB 3.82Å; F494-K555 HydrophobicContact CZ-CB 4.09Å; L551-K555 PolarHBondContact O-N 3.05Å; D552-K555 WeakPolarHBondContact OD1-CE 3.36Å; D552-K555 IonicContact OD1-NZ 3.82Å; D552-K555 PolarHBondContact OD1-NZ 3.17Å; K555-I558 PolarHBondContact O-N 3.21Å; K555-M559 WeakPolarHBondContact O-CB 3.49Å; K555-M559 VanDerWaalsContact O-CG 3.28Å; K555-M559 WeakPolarHBondContact O-CG 3.22Å; K555-M559 PolarHBondContact O-N 3.23Å
556	Q	96.4	Very high	93.6	Very high	133 Å²	133	48.3 Å²	48.3	62%	0.621	24%	0.239	S	C	*	.	H	α-helix	trans	-63.3	-49.7	-179	-74.7	-175.3	-29	0	0	110.4	E554 I558 M559 E560	E554-Q556 VanDerWaalsContact C-N 3.3Å; E554-Q556 PolarHBondContact O-N 2.69Å; Q556-I558 VanDerWaalsContact C-N 3.34Å; Q556-I558 PolarHBondContact O-N 3.09Å; Q556-M559 PolarHBondContact O-N 3.37Å; Q556-E560 VanDerWaalsContact O-CB 3.26Å; Q556-E560 WeakPolarHBondContact O-CB 3.33Å; Q556-E560 VanDerWaalsContact O-CG 3.26Å; Q556-E560 WeakPolarHBondContact O-CG 3.42Å; Q556-E560 PolarHBondContact O-N 2.98Å
557	K	96	Very high	92.7	Very high	88 Å²	88	52.8 Å²	52.8	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-60.7	-44.4	178.9	-172.2	-178.9	174.8	-160.3	0	111.7	E554 M559 E561 H571	E554-K557 PolarHBondContact O-N 3.01Å; K557-M559 PolarHBondContact O-N 3.41Å; K557-E561 HydrophobicContact CG-CG 4.27Å; K557-E561 VanDerWaalsContact O-CB 3.26Å; K557-E561 WeakPolarHBondContact O-CB 3.06Å; K557-E561 VanDerWaalsContact O-CG 3.3Å; K557-E561 WeakPolarHBondContact O-CG 3.35Å; K557-E561 PolarHBondContact O-N 3.15Å; K557-E561 VanDerWaalsContact O-N 3.12Å; K557-H571 PolarHBondContact NZ-CE1 3.49Å; K557-H571 PolarHBondContact NZ-ND1 3.33Å
558	I	95.7	Very high	91.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-46.2	178.9	-69.7	167.7	0	0	0	111.2	F494 Y497 E554 K555 Q556 N562 Y563 I568	F494-I558 HydrophobicContact CE2-CB 4.2Å; F494-I558 HydrophobicContact CE2-CD1 4.29Å; F494-I558 HydrophobicContact CE2-CG2 3.91Å; F494-I558 HydrophobicContact CZ-CD1 4.08Å; Y497-I558 HydrophobicContact CD1-CG2 4.26Å; Y497-I558 HydrophobicContact CE1-CG2 3.68Å; E554-I558 HydrophobicContact CB-CD1 4.07Å; E554-I558 WeakPolarHBondContact O-CG1 3.28Å; E554-I558 PolarHBondContact O-N 3.44Å; E554-I558 VanDerWaalsContact O-N 3.07Å; K555-I558 PolarHBondContact O-N 3.21Å; Q556-I558 VanDerWaalsContact C-N 3.34Å; Q556-I558 PolarHBondContact O-N 3.09Å; I558-N562 PolarHBondContact O-N 3.23Å; I558-Y563 HydrophobicContact CG1-CD2 4.22Å; I558-Y563 PolarHBondContact O-N 3.12Å; I558-Y563 VanDerWaalsContact O-N 3.08Å; I558-I568 HydrophobicContact CG2-CD1 4.14Å; I558-I568 HydrophobicContact CG2-CG1 3.85Å
559	M	96.2	Very high	90.9	Very high	67 Å²	67	55.1 Å²	55.1	33%	0.33	27%	0.272	S	S	.	.	H	α-helix	trans	-76.9	-41.4	-176.6	-67.1	-179.7	73.7	0	0	113.1	F494 Y497 K555 Q556 K557 N562	F494-M559 HydrophobicContact CB-SD 4.05Å; F494-M559 HydrophobicContact CD2-CG 3.82Å; F494-M559 HydrophobicContact CD2-SD 3.76Å; F494-M559 HydrophobicContact CE2-CG 4.36Å; F494-M559 HydrophobicContact CG-SD 4.39Å; Y497-M559 HydrophobicContact CD1-CG 3.95Å; Y497-M559 HydrophobicContact CD2-CG 4.39Å; Y497-M559 HydrophobicContact CE1-CG 4.37Å; Y497-M559 HydrophobicContact CG-CE 4.38Å; Y497-M559 HydrophobicContact CG-CG 3.96Å; K555-M559 WeakPolarHBondContact O-CB 3.49Å; K555-M559 VanDerWaalsContact O-CG 3.28Å; K555-M559 WeakPolarHBondContact O-CG 3.22Å; K555-M559 PolarHBondContact O-N 3.23Å; Q556-M559 PolarHBondContact O-N 3.37Å; K557-M559 PolarHBondContact O-N 3.41Å; M559-N562 PolarHBondContact O-N 3.16Å
560	E	96.3	Very high	89.9	Confident	152 Å²	152	61.3 Å²	61.3	71%	0.71	30%	0.299	S	S	*	.	H	α-helix	trans	-68.1	-39	-178.3	-72.7	175	179.8	0	0	111.8	Q556 N562	Q556-E560 VanDerWaalsContact O-CB 3.26Å; Q556-E560 WeakPolarHBondContact O-CB 3.33Å; Q556-E560 VanDerWaalsContact O-CG 3.26Å; Q556-E560 WeakPolarHBondContact O-CG 3.42Å; Q556-E560 PolarHBondContact O-N 2.98Å; E560-N562 PolarHBondContact O-N 3.07Å
561	E	94.6	Very high	89.4	Confident	124 Å²	124	61.6 Å²	61.6	58%	0.579	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.7	176.2	-61	-71.2	159.2	0	0	112.9	K557 Y563	K557-E561 HydrophobicContact CG-CG 4.27Å; K557-E561 VanDerWaalsContact O-CB 3.26Å; K557-E561 WeakPolarHBondContact O-CB 3.06Å; K557-E561 VanDerWaalsContact O-CG 3.3Å; K557-E561 WeakPolarHBondContact O-CG 3.35Å; K557-E561 PolarHBondContact O-N 3.15Å; K557-E561 VanDerWaalsContact O-N 3.12Å; E561-Y563 HydrophobicContact CB-CD1 3.63Å; E561-Y563 HydrophobicContact CB-CE1 3.24Å; E561-Y563 HydrophobicContact CB-CE2 4.47Å; E561-Y563 HydrophobicContact CB-CG 4.39Å; E561-Y563 HydrophobicContact CG-CE1 4.03Å; E561-Y563 PolarHBondContact O-N 2.79Å
562	N	93.1	Very high	88.8	Confident	105 Å²	105	61.6 Å²	61.6	56%	0.561	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	51.7	-179.5	-168.3	51.6	0	0	0	113.7	Y497 I558 M559 E560	Y497-N562 WeakPolarHBondContact OH-CA 3.35Å; Y497-N562 PolarHBondContact OH-OD1 2.92Å; I558-N562 PolarHBondContact O-N 3.23Å; M559-N562 PolarHBondContact O-N 3.16Å; E560-N562 PolarHBondContact O-N 3.07Å
563	Y	89.6	Confident	87.8	Confident	45 Å²	45	61.3 Å²	61.3	18%	0.176	30%	0.299	C	S	.	.			trans	-69.9	127.5	179.2	-70.4	-10.3	0	0	0	113.5	Y497 I558 E561 E567 I568 H571	Y497-Y563 PolarHBondContact OH-N 3.17Å; Y497-Y563 PolarHBondContact OH-O 2.99Å; I558-Y563 HydrophobicContact CG1-CD2 4.22Å; I558-Y563 PolarHBondContact O-N 3.12Å; I558-Y563 VanDerWaalsContact O-N 3.08Å; E561-Y563 HydrophobicContact CB-CD1 3.63Å; E561-Y563 HydrophobicContact CB-CE1 3.24Å; E561-Y563 HydrophobicContact CB-CE2 4.47Å; E561-Y563 HydrophobicContact CB-CG 4.39Å; E561-Y563 HydrophobicContact CG-CE1 4.03Å; E561-Y563 PolarHBondContact O-N 2.79Å; Y563-E567 HydrophobicContact CD1-CB 3.77Å; Y563-E567 HydrophobicContact CD1-CG 4.32Å; Y563-E567 HydrophobicContact CD2-CB 4.27Å; Y563-E567 HydrophobicContact CE1-CB 4.5Å; Y563-E567 HydrophobicContact CG-CB 3.64Å; Y563-I568 WeakPolarHBondContact O-CD1 3.29Å; Y563-H571 HydrophobicContact CD2-CB 4.15Å; Y563-H571 HydrophobicContact CE2-CB 3.81Å; Y563-H571 AromaticContact CE2-CG 3.9Å
564	G	78.9	Confident	87.1	Confident	14 Å²	14	63.5 Å²	63.5	14%	0.144	30%	0.304	C	S	.	.			trans	-78.3	-178.6	165.7	0	0	0	0	0	112.3	N566 E567 I568	G564-N566 VanDerWaalsContact C-N 3.3Å; G564-N566 PolarHBondContact O-N 3.23Å; G564-E567 WeakPolarHBondContact CA-OE2 3.31Å; G564-E567 PolarHBondContact N-OE2 3.33Å; G564-E567 PolarHBondContact O-N 2.99Å; G564-I568 VanDerWaalsContact O-CG1 3.27Å; G564-I568 WeakPolarHBondContact O-CG1 3.48Å; G564-I568 PolarHBondContact O-N 2.91Å
565	F	76.6	Confident	86.6	Confident	24 Å²	24	62.7 Å²	62.7	11%	0.105	30%	0.301	C	S	.	.	H	α-helix	trans	-49.3	-46.7	-177.8	175.4	-96.8	0	0	0	113.7	V257 L261 S503 I568 L569	V257-F565 HydrophobicContact CG1-CD1 3.96Å; V257-F565 HydrophobicContact CG1-CE1 3.61Å; V257-F565 HydrophobicContact CG1-CZ 4.39Å; L261-F565 HydrophobicContact CD1-CE2 4.28Å; L261-F565 HydrophobicContact CD1-CZ 3.73Å; S503-F565 WeakPolarHBondContact OG-CA 3.31Å; S503-F565 WeakPolarHBondContact OG-CD2 3.38Å; F565-I568 PolarHBondContact O-N 2.83Å; F565-L569 HydrophobicContact CE1-CD2 4.42Å; F565-L569 WeakPolarHBondContact O-CB 3.3Å; F565-L569 PolarHBondContact O-N 2.88Å
566	N	74.3	Confident	86	Confident	95 Å²	95	62.2 Å²	62.2	51%	0.508	30%	0.303	S	S	.	.	H	α-helix	trans	-67.7	-42.9	-177.1	-70.6	-36.8	0	0	0	112.1	G564 L569 K570	G564-N566 VanDerWaalsContact C-N 3.3Å; G564-N566 PolarHBondContact O-N 3.23Å; N566-L569 PolarHBondContact O-N 2.88Å; N566-K570 WeakPolarHBondContact O-CB 3.38Å; N566-K570 PolarHBondContact O-N 3.31Å
567	E	80.8	Confident	85.6	Confident	96 Å²	96	60.8 Å²	60.8	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-67.4	-39.3	177.4	-66.5	82.8	178	0	0	111.5	Y563 G564 K570 H571	Y563-E567 HydrophobicContact CD1-CB 3.77Å; Y563-E567 HydrophobicContact CD1-CG 4.32Å; Y563-E567 HydrophobicContact CD2-CB 4.27Å; Y563-E567 HydrophobicContact CE1-CB 4.5Å; Y563-E567 HydrophobicContact CG-CB 3.64Å; G564-E567 WeakPolarHBondContact CA-OE2 3.31Å; G564-E567 PolarHBondContact N-OE2 3.33Å; G564-E567 PolarHBondContact O-N 2.99Å; E567-K570 PolarHBondContact O-N 3.48Å; E567-H571 VanDerWaalsContact O-CB 3.26Å; E567-H571 WeakPolarHBondContact O-CB 3.12Å; E567-H571 PolarHBondContact O-N 2.72Å
568	I	80.1	Confident	85.4	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.7	-52.4	172.9	-67.7	165	0	0	0	109.6	L498 F508 I558 Y563 G564 F565 K570 H571 I572	L498-I568 HydrophobicContact CD2-CD1 3.74Å; F508-I568 HydrophobicContact CD1-CG2 3.71Å; F508-I568 HydrophobicContact CD2-CG2 4.2Å; F508-I568 HydrophobicContact CE1-CG2 3.82Å; F508-I568 HydrophobicContact CE2-CG2 4.27Å; F508-I568 HydrophobicContact CG-CG2 3.91Å; F508-I568 HydrophobicContact CZ-CG2 4.07Å; I558-I568 HydrophobicContact CG2-CD1 4.14Å; I558-I568 HydrophobicContact CG2-CG1 3.85Å; Y563-I568 WeakPolarHBondContact O-CD1 3.29Å; G564-I568 VanDerWaalsContact O-CG1 3.27Å; G564-I568 WeakPolarHBondContact O-CG1 3.48Å; G564-I568 PolarHBondContact O-N 2.91Å; F565-I568 PolarHBondContact O-N 2.83Å; I568-K570 VanDerWaalsContact C-N 3.31Å; I568-K570 PolarHBondContact O-N 2.94Å; I568-H571 PolarHBondContact O-N 2.8Å; I568-I572 HydrophobicContact CG2-CG1 4.22Å; I568-I572 WeakPolarHBondContact O-CB 3.3Å; I568-I572 VanDerWaalsContact O-CG1 3.26Å; I568-I572 WeakPolarHBondContact O-CG1 3.47Å; I568-I572 PolarHBondContact O-N 2.9Å
569	L	78.4	Confident	85.3	Confident	49 Å²	49	65 Å²	65	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-58.7	-43.7	179.9	178.7	62	0	0	0	111.6	F508 F565 N566 N573	F508-L569 HydrophobicContact CB-CB 4.44Å; F508-L569 HydrophobicContact CB-CD1 3.78Å; F565-L569 HydrophobicContact CE1-CD2 4.42Å; F565-L569 WeakPolarHBondContact O-CB 3.3Å; F565-L569 PolarHBondContact O-N 2.88Å; N566-L569 PolarHBondContact O-N 2.88Å; L569-N573 WeakPolarHBondContact O-CB 3.12Å; L569-N573 VanDerWaalsContact O-CG 3.3Å; L569-N573 PolarHBondContact O-N 3.28Å; L569-N573 PolarHBondContact O-ND2 3.37Å
570	K	78.6	Confident	85.3	Confident	131 Å²	131	65.2 Å²	65.2	57%	0.57	32%	0.319	S	S	*	.	H	α-helix	trans	-61.3	-52.1	176	179.4	179.8	172.6	-177.6	0	111.4	N566 E567 I568 I572 N573 E574	N566-K570 WeakPolarHBondContact O-CB 3.38Å; N566-K570 PolarHBondContact O-N 3.31Å; E567-K570 PolarHBondContact O-N 3.48Å; I568-K570 VanDerWaalsContact C-N 3.31Å; I568-K570 PolarHBondContact O-N 2.94Å; K570-I572 VanDerWaalsContact C-N 3.34Å; K570-I572 PolarHBondContact O-N 3.41Å; K570-N573 PolarHBondContact O-N 3.16Å; K570-E574 WeakPolarHBondContact CE-OE1 3.45Å; K570-E574 WeakPolarHBondContact O-CG 3.15Å; K570-E574 PolarHBondContact O-N 3.3Å
571	H	87.7	Confident	85.3	Confident	9 Å²	9	58.3 Å²	58.3	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-57.8	-47.3	-180	174.2	64.6	0	0	0	111.1	E554 K557 Y563 E567 I568 N573 E574 L575	E554-H571 IonicContact OE2-CD2 3.43Å; E554-H571 IonicContact OE2-CE1 2.83Å; E554-H571 PolarHBondContact OE2-CE1 3.05Å; E554-H571 IonicContact OE2-NE2 3.91Å; E554-H571 PolarHBondContact OE2-NE2 2.79Å; K557-H571 PolarHBondContact NZ-CE1 3.49Å; K557-H571 PolarHBondContact NZ-ND1 3.33Å; Y563-H571 HydrophobicContact CD2-CB 4.15Å; Y563-H571 HydrophobicContact CE2-CB 3.81Å; Y563-H571 AromaticContact CE2-CG 3.9Å; E567-H571 VanDerWaalsContact O-CB 3.26Å; E567-H571 WeakPolarHBondContact O-CB 3.12Å; E567-H571 PolarHBondContact O-N 2.72Å; I568-H571 PolarHBondContact O-N 2.8Å; H571-N573 VanDerWaalsContact C-N 3.35Å; H571-N573 PolarHBondContact O-N 3.38Å; H571-E574 WeakPolarHBondContact O-CB 3.32Å; H571-E574 PolarHBondContact O-N 3.26Å; H571-E574 VanDerWaalsContact O-N 3.14Å; H571-L575 WeakPolarHBondContact O-CG 3.35Å; H571-L575 PolarHBondContact O-N 3.05Å
572	I	84.4	Confident	85.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-43.1	176.7	-71.5	-60.1	0	0	0	111.9	F508 W512 L551 I568 K570 E574 L575	F508-I572 HydrophobicContact CD2-CG1 4.04Å; W512-I572 HydrophobicContact CH2-CD1 3.83Å; W512-I572 HydrophobicContact CH2-CG2 4.19Å; W512-I572 HydrophobicContact CZ2-CD1 3.99Å; W512-I572 HydrophobicContact CZ2-CG2 3.43Å; W512-I572 VanDerWaalsContact CZ2-CG2 3.43Å; L551-I572 HydrophobicContact CD2-CD1 4.04Å; I568-I572 HydrophobicContact CG2-CG1 4.22Å; I568-I572 WeakPolarHBondContact O-CB 3.3Å; I568-I572 VanDerWaalsContact O-CG1 3.26Å; I568-I572 WeakPolarHBondContact O-CG1 3.47Å; I568-I572 PolarHBondContact O-N 2.9Å; K570-I572 VanDerWaalsContact C-N 3.34Å; K570-I572 PolarHBondContact O-N 3.41Å; I572-E574 VanDerWaalsContact C-N 3.32Å; I572-E574 PolarHBondContact O-N 2.76Å; I572-L575 HydrophobicContact CD1-CD1 3.87Å; I572-L575 WeakPolarHBondContact O-CB 3Å; I572-L575 PolarHBondContact O-N 2.88Å
573	N	76.1	Confident	85.5	Confident	31 Å²	31	54.5 Å²	54.5	17%	0.166	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-37.4	176.2	-78.7	-41.2	0	0	0	112.4	L208 R511 L569 K570 H571 L575 S576	L208-N573 HydrophobicContact CD1-CB 4.49Å; R511-N573 PolarHBondContact NH1-OD1 3.29Å; R511-N573 PolarHBondContact NH2-OD1 3.23Å; L569-N573 WeakPolarHBondContact O-CB 3.12Å; L569-N573 VanDerWaalsContact O-CG 3.3Å; L569-N573 PolarHBondContact O-N 3.28Å; L569-N573 PolarHBondContact O-ND2 3.37Å; K570-N573 PolarHBondContact O-N 3.16Å; H571-N573 VanDerWaalsContact C-N 3.35Å; H571-N573 PolarHBondContact O-N 3.38Å; N573-L575 PolarHBondContact O-N 3.06Å; N573-S576 VanDerWaalsContact O-CB 3.25Å; N573-S576 WeakPolarHBondContact O-CB 3.42Å; N573-S576 PolarHBondContact O-N 3.47Å
574	E	83.1	Confident	85.9	Confident	93 Å²	93	52.9 Å²	52.9	44%	0.435	26%	0.26	S	S	.	.	H	α-helix	trans	-69.6	-12.1	177.8	-72.5	176.9	-177.3	0	0	113.6	K570 H571 I572 S576 K578	K570-E574 WeakPolarHBondContact CE-OE1 3.45Å; K570-E574 WeakPolarHBondContact O-CG 3.15Å; K570-E574 PolarHBondContact O-N 3.3Å; H571-E574 WeakPolarHBondContact O-CB 3.32Å; H571-E574 PolarHBondContact O-N 3.26Å; H571-E574 VanDerWaalsContact O-N 3.14Å; I572-E574 VanDerWaalsContact C-N 3.32Å; I572-E574 PolarHBondContact O-N 2.76Å; E574-S576 VanDerWaalsContact C-N 3.26Å; E574-K578 VanDerWaalsContact O-CD 3.28Å; E574-K578 WeakPolarHBondContact O-CD 2.98Å; E574-K578 WeakPolarHBondContact O-CE 3.17Å; E574-K578 PolarHBondContact O-NZ 3.47Å
575	L	86.1	Confident	86.9	Confident	17 Å²	17	52.2 Å²	52.2	9%	0.089	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-15.6	172	-62.4	172.6	0	0	0	113.1	I550 E554 H571 I572 N573 M577 K578 L579	I550-L575 HydrophobicContact CG2-CD1 4.43Å; E554-L575 HydrophobicContact CG-CD1 3.61Å; H571-L575 WeakPolarHBondContact O-CG 3.35Å; H571-L575 PolarHBondContact O-N 3.05Å; I572-L575 HydrophobicContact CD1-CD1 3.87Å; I572-L575 WeakPolarHBondContact O-CB 3Å; I572-L575 PolarHBondContact O-N 2.88Å; N573-L575 PolarHBondContact O-N 3.06Å; L575-M577 PolarHBondContact O-N 3.25Å; L575-K578 WeakPolarHBondContact O-CB 3.01Å; L575-K578 PolarHBondContact O-N 3.26Å; L575-L579 HydrophobicContact CB-CD2 4.12Å; L575-L579 HydrophobicContact CB-CG 4.45Å
576	S	84.1	Confident	87.9	Confident	34 Å²	34	53.9 Å²	53.9	24%	0.238	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	132.1	178.4	175.7	0	0	0	0	111	R519 N573 E574 K578	R519-S576 PolarHBondContact O-OG 2.96Å; N573-S576 VanDerWaalsContact O-CB 3.25Å; N573-S576 WeakPolarHBondContact O-CB 3.42Å; N573-S576 PolarHBondContact O-N 3.47Å; E574-S576 VanDerWaalsContact C-N 3.26Å; S576-K578 PolarHBondContact O-N 2.69Å; S576-K578 VanDerWaalsContact O-N 3.12Å
577	M	86.1	Confident	89.1	Confident	102 Å²	102	52.5 Å²	52.5	50%	0.502	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	4	-177.7	-49.9	-60.6	162.6	0	0	115.6	R519 E520 L521 I522 L575	R519-M577 WeakPolarHBondContact O-CE 3.21Å; E520-M577 PolarHBondContact O-N 3.12Å; L521-M577 VanDerWaalsContact C-SD 3.52Å; L521-M577 VanDerWaalsContact O-SD 3.42Å; I522-M577 HydrophobicContact CG2-SD 4.08Å; L575-M577 PolarHBondContact O-N 3.25Å
578	K	91.9	Very high	89.9	Confident	155 Å²	155	48 Å²	48	67%	0.674	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-7.9	177.7	-58.8	177.5	-171.2	158.3	0	113.3	E574 L575 S576	E574-K578 VanDerWaalsContact O-CD 3.28Å; E574-K578 WeakPolarHBondContact O-CD 2.98Å; E574-K578 WeakPolarHBondContact O-CE 3.17Å; E574-K578 PolarHBondContact O-NZ 3.47Å; L575-K578 WeakPolarHBondContact O-CB 3.01Å; L575-K578 PolarHBondContact O-N 3.26Å; S576-K578 PolarHBondContact O-N 2.69Å; S576-K578 VanDerWaalsContact O-N 3.12Å
579	L	94.1	Very high	90.8	Very high	23 Å²	23	48.5 Å²	48.5	12%	0.12	23%	0.232	C	C	.	.			trans	-73.4	133.7	-177.6	-69	-174.8	0	0	0	112.1	E520 L521 I550 L575 I584	E520-L579 HydrophobicContact CB-CD1 3.81Å; L521-L579 HydrophobicContact CD2-CB 3.77Å; I550-L579 HydrophobicContact CD1-CD1 3.86Å; I550-L579 HydrophobicContact CG1-CD1 4.29Å; I550-L579 HydrophobicContact CG2-CD1 4.45Å; I550-L579 HydrophobicContact CG2-CD2 4.08Å; L575-L579 HydrophobicContact CB-CD2 4.12Å; L575-L579 HydrophobicContact CB-CG 4.45Å; L579-I584 HydrophobicContact CB-CD1 3.72Å; L579-I584 HydrophobicContact CD1-CD1 4.05Å; L579-I584 HydrophobicContact CD2-CD1 4.27Å; L579-I584 HydrophobicContact CG-CD1 4.23Å
580	N	96.6	Very high	91.7	Very high	71 Å²	71	46.2 Å²	46.2	38%	0.38	22%	0.22	S	C	.	.			trans	-90.8	109.3	173.7	-176.3	-22.9	0	0	0	110.6	E582 E583 I584	N580-E582 VanDerWaalsContact C-N 3.27Å; N580-E582 PolarHBondContact O-N 3.32Å; N580-E582 WeakPolarHBondContact OD1-CB 3.23Å; N580-E582 PolarHBondContact OD1-N 2.71Å; N580-E583 HydrophobicContact CB-CB 4.2Å; N580-E583 HydrophobicContact CB-CG 4.21Å; N580-E583 PolarHBondContact ND2-OE1 3.43Å; N580-E583 PolarHBondContact O-N 3.31Å; N580-E583 PolarHBondContact OD1-N 3.09Å; N580-I584 VanDerWaalsContact O-CG1 3.3Å; N580-I584 WeakPolarHBondContact O-CG1 3.45Å; N580-I584 PolarHBondContact O-N 2.96Å
581	I	96.8	Very high	92.7	Very high	7 Å²	7	40 Å²	40	4%	0.036	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-35	-176.8	-172.9	54.3	0	0	0	113.7	L521 D525 L529 L585	L521-I581 HydrophobicContact CD1-CD1 3.98Å; L521-I581 HydrophobicContact CD2-CB 4.46Å; D525-I581 HydrophobicContact CB-CB 3.96Å; D525-I581 HydrophobicContact CB-CG1 4.32Å; D525-I581 HydrophobicContact CB-CG2 3.99Å; D525-I581 VanDerWaalsContact CG-CG2 3.46Å; D525-I581 WeakPolarHBondContact OD2-CG2 3.09Å; L529-I581 HydrophobicContact CB-CD1 3.8Å; L529-I581 HydrophobicContact CD1-CD1 3.91Å; L529-I581 HydrophobicContact CD2-CD1 4.36Å; L529-I581 HydrophobicContact CG-CD1 4.23Å; I581-L585 HydrophobicContact CD1-CD1 4.01Å; I581-L585 HydrophobicContact CD1-CG 3.99Å; I581-L585 HydrophobicContact CG1-CD1 3.91Å; I581-L585 HydrophobicContact CG1-CG 4.34Å; I581-L585 WeakPolarHBondContact O-CB 3.36Å; I581-L585 VanDerWaalsContact O-CG 3.24Å; I581-L585 WeakPolarHBondContact O-CG 3.37Å; I581-L585 PolarHBondContact O-N 2.95Å
582	E	95	Very high	93.1	Very high	48 Å²	48	39.8 Å²	39.8	22%	0.224	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-46.8	-177	-179.2	67.2	-160.4	0	0	110.3	R294 R528 N580 L585 Q586	R294-E582 WeakPolarHBondContact CB-OE1 3.23Å; R294-E582 VanDerWaalsContact CG-CD 3.5Å; R294-E582 WeakPolarHBondContact CG-OE1 3.42Å; R528-E582 IonicContact CZ-OE2 3.38Å; R528-E582 IonicContact NH1-OE2 3.32Å; R528-E582 PolarHBondContact NH1-OE2 3.04Å; R528-E582 IonicContact NH2-OE2 3.48Å; R528-E582 PolarHBondContact NH2-OE2 3.32Å; N580-E582 VanDerWaalsContact C-N 3.27Å; N580-E582 PolarHBondContact O-N 3.32Å; N580-E582 WeakPolarHBondContact OD1-CB 3.23Å; N580-E582 PolarHBondContact OD1-N 2.71Å; E582-L585 PolarHBondContact O-N 3.25Å; E582-Q586 WeakPolarHBondContact O-CB 3.28Å; E582-Q586 WeakPolarHBondContact O-CG 3.39Å; E582-Q586 PolarHBondContact O-N 3.47Å; E582-Q586 PolarHBondContact OE1-NE2 3.02Å
583	E	97	Very high	93.7	Very high	101 Å²	101	41.9 Å²	41.9	47%	0.472	20%	0.203	S	C	.	.	H	α-helix	trans	-63.4	-41.6	176	-70.7	174.8	-150.8	0	0	112	N580 Q586 K587	N580-E583 HydrophobicContact CB-CB 4.2Å; N580-E583 HydrophobicContact CB-CG 4.21Å; N580-E583 PolarHBondContact ND2-OE1 3.43Å; N580-E583 PolarHBondContact O-N 3.31Å; N580-E583 PolarHBondContact OD1-N 3.09Å; E583-Q586 PolarHBondContact O-N 3.36Å; E583-K587 WeakPolarHBondContact O-CB 3.46Å; E583-K587 WeakPolarHBondContact O-CG 3.28Å; E583-K587 PolarHBondContact O-N 3.38Å
584	I	98.3	Very high	94.7	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.051	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-47.9	177.6	-72.1	168.3	0	0	0	110.6	V546 A549 I550 L579 N580 Q586 K587 A588	V546-I584 HydrophobicContact CG1-CG2 3.7Å; A549-I584 HydrophobicContact CB-CG2 4.44Å; I550-I584 HydrophobicContact CD1-CD1 4.24Å; I550-I584 HydrophobicContact CG1-CD1 3.79Å; I550-I584 HydrophobicContact CG1-CG1 4.03Å; I550-I584 HydrophobicContact CG1-CG2 4.32Å; L579-I584 HydrophobicContact CB-CD1 3.72Å; L579-I584 HydrophobicContact CD1-CD1 4.05Å; L579-I584 HydrophobicContact CD2-CD1 4.27Å; L579-I584 HydrophobicContact CG-CD1 4.23Å; N580-I584 VanDerWaalsContact O-CG1 3.3Å; N580-I584 WeakPolarHBondContact O-CG1 3.45Å; N580-I584 PolarHBondContact O-N 2.96Å; I584-Q586 PolarHBondContact O-N 2.57Å; I584-K587 PolarHBondContact O-N 3.36Å; I584-A588 VanDerWaalsContact O-CB 3.24Å; I584-A588 WeakPolarHBondContact O-CB 3.48Å; I584-A588 PolarHBondContact O-N 2.95Å
585	L	98.4	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.8	-37.1	-179.9	-70.4	173.6	0	0	0	112.3	L529 V532 F542 I581 E582 E589	L529-L585 HydrophobicContact CD1-CD2 3.79Å; V532-L585 HydrophobicContact CB-CD2 4.43Å; V532-L585 HydrophobicContact CG1-CD2 3.99Å; V532-L585 HydrophobicContact CG2-CD1 4.2Å; F542-L585 HydrophobicContact CE1-CD2 3.99Å; F542-L585 HydrophobicContact CZ-CD2 4.4Å; I581-L585 HydrophobicContact CD1-CD1 4.01Å; I581-L585 HydrophobicContact CD1-CG 3.99Å; I581-L585 HydrophobicContact CG1-CD1 3.91Å; I581-L585 HydrophobicContact CG1-CG 4.34Å; I581-L585 WeakPolarHBondContact O-CB 3.36Å; I581-L585 VanDerWaalsContact O-CG 3.24Å; I581-L585 WeakPolarHBondContact O-CG 3.37Å; I581-L585 PolarHBondContact O-N 2.95Å; E582-L585 PolarHBondContact O-N 3.25Å; L585-E589 WeakPolarHBondContact O-CB 3.37Å; L585-E589 PolarHBondContact O-N 3.46Å
586	Q	98.3	Very high	95.6	Very high	59 Å²	59	42.5 Å²	42.5	28%	0.276	20%	0.199	S	C	.	.	H	α-helix	trans	-64.3	-47.3	174.1	-71.5	173.2	1.7	0	0	111.6	V292 R294 E582 E583 I584 G590	V292-Q586 WeakPolarHBondContact O-CG 3.4Å; R294-Q586 HydrophobicContact CG-CG 3.53Å; E582-Q586 WeakPolarHBondContact O-CB 3.28Å; E582-Q586 WeakPolarHBondContact O-CG 3.39Å; E582-Q586 PolarHBondContact O-N 3.47Å; E582-Q586 PolarHBondContact OE1-NE2 3.02Å; E583-Q586 PolarHBondContact O-N 3.36Å; I584-Q586 PolarHBondContact O-N 2.57Å; Q586-G590 PolarHBondContact O-N 2.98Å
587	K	98.4	Very high	96	Very high	67 Å²	67	44.7 Å²	44.7	29%	0.291	21%	0.214	S	C	.	.	H	α-helix	trans	-64.2	-45.3	177.3	-76.8	-173.9	-175.9	-174.9	0	111.8	A549 S553 E583 I584 E589 G590 I591	A549-K587 HydrophobicContact CB-CB 3.75Å; S553-K587 PolarHBondContact OG-NZ 3.1Å; E583-K587 WeakPolarHBondContact O-CB 3.46Å; E583-K587 WeakPolarHBondContact O-CG 3.28Å; E583-K587 PolarHBondContact O-N 3.38Å; I584-K587 PolarHBondContact O-N 3.36Å; K587-E589 PolarHBondContact O-N 2.97Å; K587-G590 PolarHBondContact O-N 2.88Å; K587-I591 WeakPolarHBondContact O-CB 3.45Å; K587-I591 VanDerWaalsContact O-CG1 3.26Å; K587-I591 WeakPolarHBondContact O-CG1 3.4Å; K587-I591 PolarHBondContact O-N 2.7Å
588	A	98.7	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-43.6	179.4	0	0	0	0	0	111.8	F542 L545 V546 A549 I584 I591 Y592	F542-A588 HydrophobicContact CE2-CB 3.8Å; F542-A588 HydrophobicContact CZ-CB 3.72Å; L545-A588 HydrophobicContact CB-CB 4.32Å; V546-A588 HydrophobicContact CG2-CB 4.08Å; A549-A588 HydrophobicContact CB-CB 3.95Å; I584-A588 VanDerWaalsContact O-CB 3.24Å; I584-A588 WeakPolarHBondContact O-CB 3.48Å; I584-A588 PolarHBondContact O-N 2.95Å; A588-I591 PolarHBondContact O-N 2.87Å; A588-Y592 PolarHBondContact O-N 2.97Å
589	E	98.5	Very high	95.6	Very high	11 Å²	11	42.9 Å²	42.9	5%	0.051	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-38.8	173.8	-172.5	-179.6	170.9	0	0	111.9	V292 F324 K325 L585 K587 I591 Y592 L593	V292-E589 HydrophobicContact CG1-CB 4.08Å; V292-E589 HydrophobicContact CG1-CG 4.03Å; V292-E589 WeakPolarHBondContact CG1-OE2 3.24Å; V292-E589 HydrophobicContact CG2-CB 4.3Å; V292-E589 HydrophobicContact CG2-CG 4.17Å; F324-E589 HydrophobicContact CE1-CG 4.25Å; F324-E589 WeakPolarHBondContact CE1-OE2 3.31Å; F324-E589 HydrophobicContact CZ-CB 4.38Å; F324-E589 HydrophobicContact CZ-CG 4.09Å; K325-E589 WeakPolarHBondContact CE-OE1 3.37Å; K325-E589 IonicContact NZ-OE1 3.69Å; K325-E589 PolarHBondContact NZ-OE1 3.25Å; K325-E589 IonicContact NZ-OE2 3.47Å; K325-E589 PolarHBondContact NZ-OE2 2.91Å; L585-E589 WeakPolarHBondContact O-CB 3.37Å; L585-E589 PolarHBondContact O-N 3.46Å; K587-E589 PolarHBondContact O-N 2.97Å; E589-I591 VanDerWaalsContact C-N 3.34Å; E589-I591 PolarHBondContact O-N 3.29Å; E589-Y592 WeakPolarHBondContact O-CB 3.16Å; E589-Y592 PolarHBondContact O-N 2.78Å; E589-L593 HydrophobicContact CG-CD1 4.4Å; E589-L593 HydrophobicContact CG-CG 4.49Å; E589-L593 WeakPolarHBondContact O-CG 3.33Å; E589-L593 PolarHBondContact O-N 2.74Å
590	G	98.2	Very high	95.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-43.6	174.8	0	0	0	0	0	112.1	Q586 K587 L593 Q594	Q586-G590 PolarHBondContact O-N 2.98Å; K587-G590 PolarHBondContact O-N 2.88Å; G590-L593 PolarHBondContact O-N 2.75Å; G590-Q594 VanDerWaalsContact O-CB 3.31Å; G590-Q594 WeakPolarHBondContact O-CB 3.43Å; G590-Q594 PolarHBondContact O-N 3.03Å
591	I	98.3	Very high	94.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-48.1	173.5	-71.2	165.9	0	0	0	110.2	L490 L545 C548 A549 K587 A588 E589 L593 Q594 I595	L490-I591 HydrophobicContact CD1-CG2 3.87Å; L490-I591 HydrophobicContact CD2-CG2 3.75Å; L490-I591 HydrophobicContact CG-CG2 4.46Å; L545-I591 HydrophobicContact CD2-CG2 3.92Å; C548-I591 HydrophobicContact CB-CD1 4.12Å; A549-I591 HydrophobicContact CB-CD1 4.22Å; K587-I591 WeakPolarHBondContact O-CB 3.45Å; K587-I591 VanDerWaalsContact O-CG1 3.26Å; K587-I591 WeakPolarHBondContact O-CG1 3.4Å; K587-I591 PolarHBondContact O-N 2.7Å; A588-I591 PolarHBondContact O-N 2.87Å; E589-I591 VanDerWaalsContact C-N 3.34Å; E589-I591 PolarHBondContact O-N 3.29Å; I591-L593 PolarHBondContact O-N 3.15Å; I591-Q594 WeakPolarHBondContact O-CB 3.46Å; I591-Q594 PolarHBondContact O-N 3.34Å; I591-I595 HydrophobicContact CG2-CD1 3.79Å; I591-I595 HydrophobicContact CG2-CG1 4.36Å; I591-I595 WeakPolarHBondContact O-CG1 3.14Å; I591-I595 PolarHBondContact O-N 3.49Å
592	Y	97.9	Very high	94.2	Very high	5 Å²	5	46.8 Å²	46.8	2%	0.02	23%	0.228	C	C	.	.	H	α-helix	trans	-55.1	-50.1	176.3	166.9	-96.7	0	0	0	112.2	P538 C539 L545 A588 E589 Q594 I595 R596 F611	P538-Y592 HydrophobicContact CB-CD1 3.76Å; P538-Y592 HydrophobicContact CB-CD2 4.28Å; P538-Y592 HydrophobicContact CB-CE1 3.5Å; P538-Y592 VanDerWaalsContact CB-CE1 3.5Å; P538-Y592 HydrophobicContact CB-CE2 3.99Å; P538-Y592 HydrophobicContact CB-CG 4.14Å; P538-Y592 HydrophobicContact CG-CD1 3.45Å; P538-Y592 VanDerWaalsContact CG-CD1 3.45Å; P538-Y592 HydrophobicContact CG-CD2 3.67Å; P538-Y592 HydrophobicContact CG-CE1 3.74Å; P538-Y592 HydrophobicContact CG-CE2 3.89Å; P538-Y592 HydrophobicContact CG-CG 3.4Å; P538-Y592 VanDerWaalsContact CG-CG 3.4Å; P538-Y592 WeakPolarHBondContact O-CE2 3.42Å; P538-Y592 VanDerWaalsContact O-CZ 3.28Å; P538-Y592 PolarHBondContact O-OH 3.02Å; C539-Y592 HydrophobicContact CB-CD2 3.87Å; C539-Y592 HydrophobicContact CB-CE2 3.68Å; L545-Y592 HydrophobicContact CD1-CD2 4.3Å; L545-Y592 HydrophobicContact CD1-CG 4.47Å; A588-Y592 PolarHBondContact O-N 2.97Å; E589-Y592 WeakPolarHBondContact O-CB 3.16Å; E589-Y592 PolarHBondContact O-N 2.78Å; Y592-Q594 VanDerWaalsContact C-N 3.31Å; Y592-Q594 PolarHBondContact O-N 2.85Å; Y592-I595 PolarHBondContact O-N 3.48Å; Y592-R596 VanDerWaalsContact O-CB 3.31Å; Y592-R596 WeakPolarHBondContact O-CB 3.39Å; Y592-R596 PolarHBondContact O-N 3.27Å; Y592-R596 WeakPolarHBondContact OH-CD 3.47Å; Y592-R596 PolarHBondContact OH-NH1 2.85Å; Y592-F611 HydrophobicContact CD2-CE1 4.42Å; Y592-F611 HydrophobicContact CD2-CZ 4.31Å; Y592-F611 AromaticContact CE2-CE1 3.58Å; Y592-F611 HydrophobicContact CE2-CE1 3.58Å; Y592-F611 AromaticContact CE2-CZ 3.89Å; Y592-F611 HydrophobicContact CE2-CZ 3.89Å
593	L	96.9	Very high	93.9	Very high	45 Å²	45	50.1 Å²	50.1	24%	0.236	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-37.4	-178.2	-69.6	174.8	0	0	0	111.7	P290 V292 E589 G590 I591 R596 S597	P290-L593 HydrophobicContact CG-CB 3.48Å; P290-L593 VanDerWaalsContact CG-CB 3.48Å; P290-L593 HydrophobicContact CG-CD1 4.07Å; P290-L593 HydrophobicContact CG-CG 4.44Å; V292-L593 HydrophobicContact CG2-CD1 3.74Å; E589-L593 HydrophobicContact CG-CD1 4.4Å; E589-L593 HydrophobicContact CG-CG 4.49Å; E589-L593 WeakPolarHBondContact O-CG 3.33Å; E589-L593 PolarHBondContact O-N 2.74Å; G590-L593 PolarHBondContact O-N 2.75Å; I591-L593 PolarHBondContact O-N 3.15Å; L593-R596 PolarHBondContact O-N 2.87Å; L593-S597 WeakPolarHBondContact O-CB 3.35Å; L593-S597 PolarHBondContact O-N 3.04Å; L593-S597 PolarHBondContact O-OG 3.46Å
594	Q	96	Very high	93.6	Very high	20 Å²	20	46.6 Å²	46.6	9%	0.093	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-53.6	174.7	-170	-177	11	0	0	110.5	L286 G287 R289 G590 I591 Y592 R596 S597 C598	L286-Q594 HydrophobicContact CB-CG 4.05Å; L286-Q594 WeakPolarHBondContact O-CG 3.3Å; G287-Q594 PolarHBondContact O-NE2 2.83Å; R289-Q594 HydrophobicContact CB-CG 4.48Å; R289-Q594 HydrophobicContact CG-CB 4.35Å; G590-Q594 VanDerWaalsContact O-CB 3.31Å; G590-Q594 WeakPolarHBondContact O-CB 3.43Å; G590-Q594 PolarHBondContact O-N 3.03Å; I591-Q594 WeakPolarHBondContact O-CB 3.46Å; I591-Q594 PolarHBondContact O-N 3.34Å; Y592-Q594 VanDerWaalsContact C-N 3.31Å; Y592-Q594 PolarHBondContact O-N 2.85Å; Q594-R596 VanDerWaalsContact C-N 3.35Å; Q594-R596 PolarHBondContact O-N 2.94Å; Q594-S597 PolarHBondContact O-N 3.06Å; Q594-S597 VanDerWaalsContact O-N 3.17Å; Q594-S597 PolarHBondContact O-OG 3.31Å; Q594-C598 PolarHBondContact O-N 3.43Å
595	I	95.1	Very high	93.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-45.4	177.9	-63.3	171.3	0	0	0	110.8	L486 L489 L490 L545 I591 Y592 S597 C598 L601 I605 L609 F611	L486-I595 HydrophobicContact CD2-CD1 4.42Å; L489-I595 HydrophobicContact CD2-CG1 4.35Å; L489-I595 HydrophobicContact CD2-CG2 4.37Å; L490-I595 HydrophobicContact CD2-CD1 4.12Å; L490-I595 HydrophobicContact CD2-CG1 4.19Å; L545-I595 HydrophobicContact CD2-CD1 4.25Å; I591-I595 HydrophobicContact CG2-CD1 3.79Å; I591-I595 HydrophobicContact CG2-CG1 4.36Å; I591-I595 WeakPolarHBondContact O-CG1 3.14Å; I591-I595 PolarHBondContact O-N 3.49Å; Y592-I595 PolarHBondContact O-N 3.48Å; I595-S597 PolarHBondContact O-N 2.85Å; I595-C598 WeakPolarHBondContact O-CB 3.39Å; I595-C598 PolarHBondContact O-N 3.22Å; I595-C598 VanDerWaalsContact O-N 3.07Å; I595-L601 HydrophobicContact CG2-CD1 3.6Å; I595-L601 HydrophobicContact CG2-CD2 3.73Å; I595-L601 HydrophobicContact CG2-CG 4.35Å; I595-I605 HydrophobicContact CG2-CG2 3.98Å; I595-L609 HydrophobicContact CB-CD1 4.36Å; I595-L609 HydrophobicContact CD1-CD1 4.01Å; I595-L609 HydrophobicContact CG2-CD1 3.76Å; I595-F611 HydrophobicContact CG2-CE2 4.15Å
596	R	93.4	Very high	93	Very high	134 Å²	134	46.8 Å²	46.8	51%	0.506	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-26.2	-179.8	-169.3	169.9	77	168.4	8.5	113.4	Y592 L593 Q594 C598 F611	Y592-R596 VanDerWaalsContact O-CB 3.31Å; Y592-R596 WeakPolarHBondContact O-CB 3.39Å; Y592-R596 PolarHBondContact O-N 3.27Å; Y592-R596 WeakPolarHBondContact OH-CD 3.47Å; Y592-R596 PolarHBondContact OH-NH1 2.85Å; L593-R596 PolarHBondContact O-N 2.87Å; Q594-R596 VanDerWaalsContact C-N 3.35Å; Q594-R596 PolarHBondContact O-N 2.94Å; R596-C598 VanDerWaalsContact C-N 3.3Å; R596-F611 HydrophobicContact CB-CE1 4.45Å; R596-F611 HydrophobicContact CB-CZ 3.91Å; R596-F611 HydrophobicContact CG-CE1 4.25Å; R596-F611 HydrophobicContact CG-CZ 4.14Å
597	S	91.4	Very high	92.8	Very high	80 Å²	80	47.4 Å²	47.4	56%	0.559	24%	0.243	S	C	*	.	H	α-helix	trans	-79.5	-12.8	177.2	73.4	0	0	0	0	113.7	L593 Q594 I595	L593-S597 WeakPolarHBondContact O-CB 3.35Å; L593-S597 PolarHBondContact O-N 3.04Å; L593-S597 PolarHBondContact O-OG 3.46Å; Q594-S597 PolarHBondContact O-N 3.06Å; Q594-S597 VanDerWaalsContact O-N 3.17Å; Q594-S597 PolarHBondContact O-OG 3.31Å; I595-S597 PolarHBondContact O-N 2.85Å
598	C	88.6	Confident	92.6	Very high	21 Å²	21	44.8 Å²	44.8	14%	0.142	23%	0.232	C	C	.	.			trans	-71.9	126.5	177.3	-175.2	0	0	0	0	110.8	I284 L286 Q594 I595 R596 L601	I284-C598 WeakPolarHBondContact CG2-SG 3.4Å; L286-C598 HydrophobicContact CD2-CB 3.99Å; Q594-C598 PolarHBondContact O-N 3.43Å; I595-C598 WeakPolarHBondContact O-CB 3.39Å; I595-C598 PolarHBondContact O-N 3.22Å; I595-C598 VanDerWaalsContact O-N 3.07Å; R596-C598 VanDerWaalsContact C-N 3.3Å; C598-L601 HydrophobicContact CB-CD1 4.39Å
599	K	81.1	Confident	92.4	Very high	197 Å²	197	44.8 Å²	44.8	86%	0.857	23%	0.232	S	C	*	.	S	Bend	trans	-76.7	-39.5	-178	-67.1	-176.8	-179.5	177.7	0	113.1
600	D	84.1	Confident	92.2	Very high	137 Å²	137	44.5 Å²	44.5	73%	0.733	23%	0.232	S	C	*	.	S	Bend	trans	-106.3	61.3	-174.9	-60.1	-42	0	0	0	109.7
601	L	87	Confident	91.7	Very high	31 Å²	31	45.6 Å²	45.6	16%	0.162	24%	0.237	C	C	.	.			trans	-81.9	135.5	-178.3	-167.7	69.1	0	0	0	111.1	L489 I595 C598 I605 F611	L489-L601 HydrophobicContact CD2-CD1 3.9Å; I595-L601 HydrophobicContact CG2-CD1 3.6Å; I595-L601 HydrophobicContact CG2-CD2 3.73Å; I595-L601 HydrophobicContact CG2-CG 4.35Å; C598-L601 HydrophobicContact CB-CD1 4.39Å; L601-I605 HydrophobicContact CD1-CB 4.18Å; L601-I605 HydrophobicContact CD1-CG2 3.92Å; L601-I605 HydrophobicContact CD2-CB 4.33Å; L601-I605 HydrophobicContact CD2-CG2 3.98Å; L601-I605 HydrophobicContact CG-CB 4.09Å; L601-I605 HydrophobicContact CG-CG2 4.11Å; L601-F611 HydrophobicContact CD2-CD2 3.59Å; L601-F611 HydrophobicContact CD2-CE2 3.57Å
602	P	88.6	Confident	90.5	Very high	15 Å²	15	48.5 Å²	48.5	10%	0.097	25%	0.252	C	S	.	.			trans	-61.5	145.5	177.2	-18.9	32.2	0	0	0	111.6	E279 I281 I284 S604 I605 S606	E279-P602 WeakPolarHBondContact OE2-CB 3.42Å; I281-P602 HydrophobicContact CG1-CG 4.3Å; I284-P602 HydrophobicContact CD1-CG 3.39Å; P602-S604 VanDerWaalsContact C-N 3.26Å; P602-S604 PolarHBondContact O-N 3.22Å; P602-I605 HydrophobicContact CB-CG1 4.13Å; P602-I605 HydrophobicContact CG-CG1 4.12Å; P602-I605 PolarHBondContact O-N 2.76Å; P602-I605 VanDerWaalsContact O-N 3.11Å; P602-S606 PolarHBondContact O-N 3.29Å; P602-S606 VanDerWaalsContact O-N 3.09Å; P602-S606 PolarHBondContact O-OG 3.28Å
603	H	88.1	Confident	88.7	Confident	118 Å²	118	52.5 Å²	52.5	55%	0.546	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-35.3	-177.1	-177.6	50.1	0	0	0	111.6	I605 S606 S607 D612	H603-I605 VanDerWaalsContact C-N 3.3Å; H603-I605 PolarHBondContact O-N 3.26Å; H603-S606 PolarHBondContact O-N 2.86Å; H603-S607 WeakPolarHBondContact O-CB 3.14Å; H603-S607 PolarHBondContact O-N 2.77Å; H603-D612 IonicContact CE1-OD2 3.83Å; H603-D612 PolarHBondContact CE1-OD2 2.93Å; H603-D612 IonicContact ND1-OD1 2.79Å; H603-D612 IonicContact ND1-OD2 2.72Å; H603-D612 PolarHBondContact ND1-OD2 2.63Å
604	S	89.4	Confident	86.6	Confident	28 Å²	28	55.3 Å²	55.3	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-51.9	-46.9	172.1	52	0	0	0	0	112.2	E279 P602 S607 I608	E279-S604 WeakPolarHBondContact OE2-CB 3.43Å; E279-S604 PolarHBondContact OE2-N 2.82Å; E279-S604 PolarHBondContact OE2-OG 2.91Å; P602-S604 VanDerWaalsContact C-N 3.26Å; P602-S604 PolarHBondContact O-N 3.22Å; S604-S607 PolarHBondContact O-N 3.28Å; S604-I608 WeakPolarHBondContact O-CG1 3.47Å; S604-I608 PolarHBondContact O-N 3.49Å
605	I	92.8	Very high	84.1	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-71	-42.1	-179.9	-54.3	-76.3	0	0	0	111.3	T485 L486 L489 I595 L601 P602 H603 S607 I608 L609	T485-I605 HydrophobicContact CG2-CD1 3.84Å; L486-I605 HydrophobicContact CD2-CD1 4.04Å; L486-I605 HydrophobicContact CD2-CG2 4.1Å; L489-I605 HydrophobicContact CB-CD1 4.04Å; L489-I605 HydrophobicContact CD2-CB 4.43Å; L489-I605 HydrophobicContact CD2-CD1 3.89Å; L489-I605 HydrophobicContact CD2-CG1 3.91Å; L489-I605 HydrophobicContact CD2-CG2 3.89Å; I595-I605 HydrophobicContact CG2-CG2 3.98Å; L601-I605 HydrophobicContact CD1-CB 4.18Å; L601-I605 HydrophobicContact CD1-CG2 3.92Å; L601-I605 HydrophobicContact CD2-CB 4.33Å; L601-I605 HydrophobicContact CD2-CG2 3.98Å; L601-I605 HydrophobicContact CG-CB 4.09Å; L601-I605 HydrophobicContact CG-CG2 4.11Å; P602-I605 HydrophobicContact CB-CG1 4.13Å; P602-I605 HydrophobicContact CG-CG1 4.12Å; P602-I605 PolarHBondContact O-N 2.76Å; P602-I605 VanDerWaalsContact O-N 3.11Å; H603-I605 VanDerWaalsContact C-N 3.3Å; H603-I605 PolarHBondContact O-N 3.26Å; I605-S607 VanDerWaalsContact C-N 3.26Å; I605-S607 PolarHBondContact O-N 2.75Å; I605-I608 PolarHBondContact O-N 2.91Å; I605-L609 HydrophobicContact CG2-CD1 4.08Å; I605-L609 HydrophobicContact CG2-CG 4.48Å; I605-L609 PolarHBondContact O-N 3.06Å
606	S	92.1	Very high	81.1	Confident	14 Å²	14	70.4 Å²	70.4	10%	0.098	35%	0.351	C	S	.	.	H	α-helix	trans	-58.5	-39	174.8	-66.4	0	0	0	0	112.1	P602 H603 G610 F611 D612	P602-S606 PolarHBondContact O-N 3.29Å; P602-S606 VanDerWaalsContact O-N 3.09Å; P602-S606 PolarHBondContact O-OG 3.28Å; H603-S606 PolarHBondContact O-N 2.86Å; S606-G610 CarbonylContact O-C 3.59Å; S606-G610 WeakPolarHBondContact O-CA 3.34Å; S606-G610 PolarHBondContact O-N 2.88Å; S606-F611 PolarHBondContact O-N 2.98Å; S606-D612 WeakPolarHBondContact CB-OD2 3.36Å
607	S	93.6	Very high	78.6	Confident	72 Å²	72	69.4 Å²	69.4	50%	0.503	36%	0.359	S	S	.	.	H	α-helix	trans	-68.4	-41.7	175.5	-174.7	0	0	0	0	112	H603 S604 I605 L609 G610	H603-S607 WeakPolarHBondContact O-CB 3.14Å; H603-S607 PolarHBondContact O-N 2.77Å; S604-S607 PolarHBondContact O-N 3.28Å; I605-S607 VanDerWaalsContact C-N 3.26Å; I605-S607 PolarHBondContact O-N 2.75Å; S607-L609 VanDerWaalsContact C-N 3.35Å; S607-L609 PolarHBondContact O-N 3.13Å; S607-G610 PolarHBondContact O-N 3.44Å
608	I	94.2	Very high	76	Confident	11 Å²	11	69 Å²	69	6%	0.056	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-41.4	178.6	-68.3	166.6	0	0	0	111.2	Q482 T485 L486 N541 L544 S604 I605	Q482-I608 HydrophobicContact CB-CD1 3.91Å; Q482-I608 HydrophobicContact CB-CG1 4.11Å; Q482-I608 HydrophobicContact CB-CG2 4.16Å; Q482-I608 HydrophobicContact CG-CD1 3.92Å; Q482-I608 HydrophobicContact CG-CG1 3.77Å; Q482-I608 HydrophobicContact CG-CG2 4.48Å; T485-I608 HydrophobicContact CG2-CD1 4.06Å; L486-I608 HydrophobicContact CD1-CG2 3.95Å; L486-I608 HydrophobicContact CD2-CG2 4.41Å; L486-I608 HydrophobicContact CG-CG2 4.26Å; N541-I608 PolarHBondContact ND2-O 3.43Å; L544-I608 HydrophobicContact CD1-CG2 3.97Å; S604-I608 WeakPolarHBondContact O-CG1 3.47Å; S604-I608 PolarHBondContact O-N 3.49Å; I605-I608 PolarHBondContact O-N 2.91Å
609	L	95.5	Very high	73.3	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-90.5	-10.3	-177.1	-60.1	-178.5	0	0	0	113.6	L486 C539 Q540 L545 I595 I605 S607 F611	L486-L609 HydrophobicContact CD2-CD1 4.46Å; L486-L609 HydrophobicContact CD2-CD2 4.29Å; L486-L609 HydrophobicContact CD2-CG 4.41Å; C539-L609 HydrophobicContact CB-CB 4.18Å; C539-L609 HydrophobicContact CB-CD2 4.38Å; C539-L609 VanDerWaalsContact CB-O 3.24Å; C539-L609 WeakPolarHBondContact CB-O 3.42Å; Q540-L609 PolarHBondContact N-O 3.25Å; L545-L609 HydrophobicContact CD1-CD2 4.14Å; L545-L609 HydrophobicContact CD2-CD2 4.09Å; L545-L609 HydrophobicContact CG-CD2 4.16Å; I595-L609 HydrophobicContact CB-CD1 4.36Å; I595-L609 HydrophobicContact CD1-CD1 4.01Å; I595-L609 HydrophobicContact CG2-CD1 3.76Å; I605-L609 HydrophobicContact CG2-CD1 4.08Å; I605-L609 HydrophobicContact CG2-CG 4.48Å; I605-L609 PolarHBondContact O-N 3.06Å; S607-L609 VanDerWaalsContact C-N 3.35Å; S607-L609 PolarHBondContact O-N 3.13Å; L609-F611 HydrophobicContact CB-CD1 4.48Å; L609-F611 HydrophobicContact CB-CD2 4.43Å; L609-F611 HydrophobicContact CB-CE1 4.19Å; L609-F611 HydrophobicContact CB-CE2 4.11Å; L609-F611 HydrophobicContact CB-CZ 3.98Å; L609-F611 HydrophobicContact CD1-CE2 3.9Å; L609-F611 HydrophobicContact CD1-CZ 3.88Å
610	G	93.4	Very high	71	Confident	6 Å²	6	70 Å²	70	6%	0.062	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	36.7	178.4	0	0	0	0	0	114	S606 S607 T613	S606-G610 CarbonylContact O-C 3.59Å; S606-G610 WeakPolarHBondContact O-CA 3.34Å; S606-G610 PolarHBondContact O-N 2.88Å; S607-G610 PolarHBondContact O-N 3.44Å; G610-T613 PolarHBondContact O-OG1 3.35Å
611	F	88.2	Confident	68.7	Low	23 Å²	23	67.7 Å²	67.7	10%	0.101	37%	0.37	C	S	.	.	H	α-helix	trans	-77.5	-31.5	175.3	-63.2	-29.8	0	0	0	112.8	Y592 I595 R596 L601 S606 L609 T613 Q614 H615	Y592-F611 HydrophobicContact CD2-CE1 4.42Å; Y592-F611 HydrophobicContact CD2-CZ 4.31Å; Y592-F611 AromaticContact CE2-CE1 3.58Å; Y592-F611 HydrophobicContact CE2-CE1 3.58Å; Y592-F611 AromaticContact CE2-CZ 3.89Å; Y592-F611 HydrophobicContact CE2-CZ 3.89Å; I595-F611 HydrophobicContact CG2-CE2 4.15Å; R596-F611 HydrophobicContact CB-CE1 4.45Å; R596-F611 HydrophobicContact CB-CZ 3.91Å; R596-F611 HydrophobicContact CG-CE1 4.25Å; R596-F611 HydrophobicContact CG-CZ 4.14Å; L601-F611 HydrophobicContact CD2-CD2 3.59Å; L601-F611 HydrophobicContact CD2-CE2 3.57Å; S606-F611 PolarHBondContact O-N 2.98Å; L609-F611 HydrophobicContact CB-CD1 4.48Å; L609-F611 HydrophobicContact CB-CD2 4.43Å; L609-F611 HydrophobicContact CB-CE1 4.19Å; L609-F611 HydrophobicContact CB-CE2 4.11Å; L609-F611 HydrophobicContact CB-CZ 3.98Å; L609-F611 HydrophobicContact CD1-CE2 3.9Å; L609-F611 HydrophobicContact CD1-CZ 3.88Å; F611-T613 VanDerWaalsContact C-N 3.34Å; F611-T613 PolarHBondContact O-N 3.1Å; F611-Q614 PolarHBondContact O-N 3.12Å; F611-H615 PolarHBondContact O-N 2.98Å
612	D	74.1	Confident	66.1	Low	61 Å²	61	73.6 Å²	73.6	33%	0.326	40%	0.402	S	S	.	.	H	α-helix	trans	-70	-30.5	-177.2	-63.5	-44.8	0	0	0	113	H603 S606	H603-D612 IonicContact CE1-OD2 3.83Å; H603-D612 PolarHBondContact CE1-OD2 2.93Å; H603-D612 IonicContact ND1-OD1 2.79Å; H603-D612 IonicContact ND1-OD2 2.72Å; H603-D612 PolarHBondContact ND1-OD2 2.63Å; S606-D612 WeakPolarHBondContact CB-OD2 3.36Å
613	T	59.7	Low	63.4	Low	90 Å²	90	77.7 Å²	77.7	55%	0.552	43%	0.431	S	S	*	.	H	α-helix	trans	-71.7	-29.8	175.2	43.4	0	0	0	0	112	G610 F611	G610-T613 PolarHBondContact O-OG1 3.35Å; F611-T613 VanDerWaalsContact C-N 3.34Å; F611-T613 PolarHBondContact O-N 3.1Å
614	Q	52.2	Low	60.6	Low	104 Å²	104	75.1 Å²	75.1	49%	0.486	44%	0.437	S	S	.	.	H	α-helix	trans	-72.2	-33.9	178	-65.2	-176.3	3.7	0	0	112.6	F611	F611-Q614 PolarHBondContact O-N 3.12Å
615	H	42.7	Very low	57.7	Low	139 Å²	139	79.5 Å²	79.5	64%	0.644	47%	0.467	S	S	*	.	H	α-helix	trans	-70.2	-31	177.4	-95.4	-71.9	0	0	0	114	F611 S618 S619	F611-H615 PolarHBondContact O-N 2.98Å; H615-S618 PolarHBondContact O-N 3.11Å; H615-S618 PolarHBondContact O-OG 2.84Å; H615-S619 PolarHBondContact O-N 3.32Å; H615-S619 PolarHBondContact O-OG 3.21Å; H615-S619 VanDerWaalsContact O-OG 3.08Å
616	R	33.7	Very low	54.5	Low	198 Å²	198	91.3 Å²	91.3	75%	0.747	51%	0.512	S	S	*	.	H	α-helix	trans	-72	-29.9	179	-76.6	-173.9	177.4	-175	1	113.8	S619 Q620	R616-S619 PolarHBondContact O-OG 3.48Å; R616-Q620 PolarHBondContact O-N 3.48Å
617	V	40.1	Very low	51.8	Low	112 Å²	112	96.2 Å²	96.2	68%	0.679	54%	0.543	S	S	*	.	H	α-helix	trans	-72.4	-32.8	177.2	-177.2	0	0	0	0	111.2
618	S	36.5	Very low	48.6	Very low	71 Å²	71	99.9 Å²	99.9	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-72	-32.5	176.7	78.2	0	0	0	0	113.6	H615 A621	H615-S618 PolarHBondContact O-N 3.11Å; H615-S618 PolarHBondContact O-OG 2.84Å; S618-A621 PolarHBondContact O-N 3.01Å
619	S	32.3	Very low	45.4	Very low	75 Å²	75	107.7 Å²	107.7	52%	0.524	60%	0.598	S	S	.	*	H	α-helix	trans	-83	-17.9	-175.8	45.1	0	0	0	0	113.9	H615 R616	H615-S619 PolarHBondContact O-N 3.32Å; H615-S619 PolarHBondContact O-OG 3.21Å; H615-S619 VanDerWaalsContact O-OG 3.08Å; R616-S619 PolarHBondContact O-OG 3.48Å
620	Q	34	Very low	42	Very low	166 Å²	166	114.9 Å²	114.9	78%	0.776	63%	0.632	S	S	*	*	H	α-helix	trans	-84.8	-18.3	170	-76.9	-170	-9.3	0	0	113.8	R616 D622	R616-Q620 PolarHBondContact O-N 3.48Å; Q620-D622 VanDerWaalsContact C-N 3.33Å
621	A	34.8	Very low	38.7	Very low	87 Å²	87	122 Å²	122	72%	0.719	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-15.5	177.5	0	0	0	0	0	113.8	S618	S618-A621 PolarHBondContact O-N 3.01Å
622	D	32	Very low	35.7	Very low	155 Å²	155	129 Å²	129	83%	0.829	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	11.5	-170.9	-125.6	4.4	0	0	0	114.6	Q620	Q620-D622 VanDerWaalsContact C-N 3.33Å
623	S	32.6	Very low	33.3	Very low	102 Å²	102	130.2 Å²	130.2	71%	0.713	72%	0.72	S	S	*	*			trans	-117.4	65.8	174.5	60	0	0	0	0	112.2
624	G	29	Very low	31.7	Very low	64 Å²	64	132.5 Å²	132.5	66%	0.66	74%	0.739	S	S	*	*			trans	-146.5	88.9	172.3	0	0	0	0	0	112.5
625	S	29.6	Very low	30.5	Very low	119 Å²	119	132.2 Å²	132.2	83%	0.832	75%	0.748	S	S	*	*			trans	168.5	112.3	132.7	40.5	0	0	0	0	113.5
626	R	25.6	Very low	29.7	Very low	249 Å²	249	133.6 Å²	133.6	94%	0.94	76%	0.76	S	S	*	*			trans	-145.1	144.9	133	-87.9	-162.8	177.8	173.6	-0.5	110.6
627	P	34.9	Very low	29.3	Very low	116 Å²	116	127.9 Å²	127.9	75%	0.753	76%	0.763	S	S	*	*			trans	-102	149.3	-160.9	37.7	-29.6	0	0	0	112.5
628	V	26.5	Very low	28.7	Very low	149 Å²	149	131.5 Å²	131.5	90%	0.903	77%	0.772	S	S	*	*			trans	-140.3	132.2	156.1	-178.5	0	0	0	0	109.8
629	Q	27.1	Very low	28.1	Very low	175 Å²	175	133.4 Å²	133.4	82%	0.818	78%	0.784	S	S	*	*			trans	-72	138.8	-177.5	-76.4	166.1	-40.4	0	0	113.5
630	Q	24.3	Very low	27.8	Very low	152 Å²	152	140.2 Å²	140.2	71%	0.71	80%	0.798	S	S	*	*				51.5	119.1	126	-129	170.9	2.5	0	0	122.1
631	Q	23.9	Very low	27.4	Very low	155 Å²	155	138.3 Å²	138.3	72%	0.724	79%	0.794	S	S	*	*			trans	71.9	116.7	137.3	-83.2	167	2.2	0	0	120.4
632	D	23.5	Very low	27	Very low	169 Å²	169	141.5 Å²	141.5	90%	0.904	80%	0.799	S	S	*	*				-154	141.7	105.6	-100.4	-28.8	0	0	0	112.5
633	A	25.8	Very low	26.8	Very low	87 Å²	87	145.4 Å²	145.4	72%	0.719	80%	0.802	S	S	*	*			trans	-87.9	151.3	-176.3	0	0	0	0	0	111.9
634	C	24.3	Very low	26.7	Very low	138 Å²	138	146.7 Å²	146.7	93%	0.932	81%	0.808	S	S	*	*			trans	-166.3	146.3	130.2	-115.2	0	0	0	0	113
635	S	26.7	Very low	26.7	Very low	98 Å²	98	152.7 Å²	152.7	69%	0.685	82%	0.819	S	S	*	*			trans	-97.1	168.4	-158.7	-50.4	0	0	0	0	114.7
636	N	27	Very low	26.6	Very low	168 Å²	168	155.2 Å²	155.2	90%	0.898	82%	0.823	S	S	*	*			trans	79.7	132.3	143.5	-68.6	-12.7	0	0	0	120.6
637	G	25.2	Very low	26.7	Very low	79 Å²	79	147.9 Å²	147.9	81%	0.814	81%	0.81	S	S	*	*			trans	146.3	96.3	139.4	0	0	0	0	0	116.1
638	H	26.6	Very low	26.3	Very low	188 Å²	188	148.6 Å²	148.6	87%	0.87	82%	0.816	S	S	*	*			trans	-57.7	151.4	165.7	-79.3	-28.9	0	0	0	114.5
639	C	24.3	Very low	26.5	Very low	110 Å²	110	152.9 Å²	152.9	74%	0.743	82%	0.816	S	S	*	*				141.9	125.4	117.4	-91.7	0	0	0	0	115.7
640	R	25.9	Very low	26.5	Very low	218 Å²	218	148.3 Å²	148.3	82%	0.823	82%	0.816	S	S	*	*			trans	62.7	127.7	134.3	-78.9	-173.4	174.2	172.7	-2	123.6
641	D	26.2	Very low	27	Very low	127 Å²	127	146.3 Å²	146.3	68%	0.679	81%	0.814	S	S	*	*				76.9	136.8	128.9	-71	-30.1	0	0	0	123.3
642	N	25.7	Very low	27.2	Very low	154 Å²	154	147.3 Å²	147.3	82%	0.824	82%	0.816	S	S	*	*			trans	105.8	120.6	142.3	-78.4	-21.4	0	0	0	121.1
643	R	27.5	Very low	27.9	Very low	236 Å²	236	144.7 Å²	144.7	89%	0.891	81%	0.806	S	S	*	*			trans	-56.2	166.8	160.5	-60.1	174.8	176.8	-178.6	-2.3	112.1
644	P	30.7	Very low	28.6	Very low	130 Å²	130	149.8 Å²	149.8	84%	0.844	84%	0.836	S	S	*	*			trans	-107.7	137.8	148.9	29.3	-14.7	0	0	0	112.4
645	Q	28.8	Very low	28.8	Very low	189 Å²	189	150.4 Å²	150.4	88%	0.883	83%	0.832	S	S	*	*			trans	-84.6	149.1	159.8	-80.9	178.3	-26.5	0	0	109.6
646	N	27.9	Very low	28.9	Very low	172 Å²	172	153.1 Å²	153.1	92%	0.92	84%	0.839	S	S	*	*			trans	-147.1	146	135.9	-112.2	-15.3	0	0	0	112.3
647	S	27.5	Very low	29	Very low	96 Å²	96	152.3 Å²	152.3	67%	0.671	84%	0.836	S	S	*	*			trans	-82.9	149.5	-161.1	148.5	0	0	0	0	114.2
648	C	26.8	Very low	29.2	Very low	130 Å²	130	156.6 Å²	156.6	88%	0.878	84%	0.837	S	S	*	*				-169.4	139.8	117.1	-101.1	0	0	0	0	113.5
649	R	31.8	Very low	29.4	Very low	240 Å²	240	154.6 Å²	154.6	91%	0.906	84%	0.835	S	S	*	*			trans	-80.3	151.7	-170.4	-74	171.4	164.3	177.8	-5.3	113.7
650	G	26.2	Very low	29.7	Very low	79 Å²	79	157.6 Å²	157.6	81%	0.814	84%	0.841	S	S	*	*			trans	-154.4	114.9	151.2	0	0	0	0	0	109.6
651	V	33.7	Very low	30	Very low	109 Å²	109	153.3 Å²	153.3	66%	0.661	84%	0.843	S	S	*	*			trans	-96.4	139.3	178.4	-162	0	0	0	0	105.9
652	F	28.6	Very low	30.3	Very low	177 Å²	177	155.3 Å²	155.3	78%	0.776	86%	0.855	S	S	*	*				178.3	143.9	77.5	-109.9	-82.1	0	0	0	109.6
653	T	37.8	Very low	30.7	Very low	113 Å²	113	155.4 Å²	155.4	69%	0.693	86%	0.858	S	S	*	*			trans	17	130.8	146.4	56.3	0	0	0	0	118.6
654	S	41	Very low	31	Very low	194 Å²	194	148.1 Å²	148.1	100%	1.357	86%	0.855	S	S	*	*				-157.1	0	55.7	-52.2	0	0	0	0	111.6

Retrieved 654 of 654 residues in 271.1 ms (Link to these results)

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