A0A3Q0KJD4_SCHMA Loading...

Zinc finger protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KJD4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 521 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.5	Very low	49.7	Very low	57 Å²	57	89.2 Å²	89.2	28%	0.281	46%	0.458	S	S	.	.				0	-54	0	-78.5	-171.6	64.3	0	0	113.6	N3 A4 L5 Y13 F21 L30	M1-N3 PolarHBondContact O-N 2.63Å; M1-A4 CarbonylContact O-C 3.57Å; M1-A4 WeakPolarHBondContact O-CA 3.25Å; M1-A4 WeakPolarHBondContact O-CB 3.4Å; M1-A4 PolarHBondContact O-N 3.41Å; M1-L5 PolarHBondContact O-N 2.97Å; M1-Y13 HydrophobicContact CG-CD1 4.07Å; M1-Y13 HydrophobicContact CG-CE1 3.29Å; M1-Y13 HydrophobicContact CG-CE2 4.35Å; M1-Y13 VanDerWaalsContact CG-CZ 3.45Å; M1-Y13 WeakPolarHBondContact CG-OH 3.35Å; M1-Y13 HydrophobicContact SD-CE1 4.18Å; M1-F21 HydrophobicContact CE-CE1 3.83Å; M1-F21 HydrophobicContact CE-CZ 3.5Å; M1-F21 HydrophobicContact SD-CE1 4.2Å; M1-F21 HydrophobicContact SD-CZ 3.72Å; M1-L30 HydrophobicContact CE-CB 4.17Å; M1-L30 HydrophobicContact CE-CD1 3.87Å; M1-L30 HydrophobicContact CE-CD2 3.67Å; M1-L30 HydrophobicContact CE-CG 4.1Å; M1-L30 HydrophobicContact SD-CD1 4.2Å; M1-L30 HydrophobicContact SD-CD2 4.28Å
2	L	45.9	Very low	49.6	Very low	109 Å²	109	85.2 Å²	85.2	57%	0.571	44%	0.444	S	S	*	.	H	α-helix	trans	-52.2	-49.1	-179.5	-69.8	167.4	0	0	0	113.2	A4 L5 E6 L34	L2-A4 PolarHBondContact O-N 2.85Å; L2-A4 VanDerWaalsContact O-N 3.14Å; L2-L5 WeakPolarHBondContact O-CB 3.15Å; L2-L5 PolarHBondContact O-N 3.07Å; L2-E6 PolarHBondContact O-N 3.22Å; L2-L34 HydrophobicContact CD2-CD2 3.91Å
3	N	54.7	Low	49.7	Very low	116 Å²	116	83.2 Å²	83.2	62%	0.62	43%	0.428	S	S	*	.	H	α-helix	trans	-58.6	-27.6	172.3	-74.7	7	0	0	0	114.3	M1 N7	M1-N3 PolarHBondContact O-N 2.63Å; N3-N7 VanDerWaalsContact O-CB 3.3Å; N3-N7 WeakPolarHBondContact O-CB 3.21Å; N3-N7 PolarHBondContact O-N 3.44Å; N3-N7 PolarHBondContact O-ND2 3.17Å
4	A	52.1	Low	49.7	Very low	7 Å²	7	80.4 Å²	80.4	6%	0.058	42%	0.419	C	S	.	.	H	α-helix	trans	-81.7	-28.6	177.7	0	0	0	0	0	112.1	M1 L2 N8 T9 L10 Y13	M1-A4 CarbonylContact O-C 3.57Å; M1-A4 WeakPolarHBondContact O-CA 3.25Å; M1-A4 WeakPolarHBondContact O-CB 3.4Å; M1-A4 PolarHBondContact O-N 3.41Å; L2-A4 PolarHBondContact O-N 2.85Å; L2-A4 VanDerWaalsContact O-N 3.14Å; A4-N8 PolarHBondContact O-N 2.74Å; A4-T9 WeakPolarHBondContact CA-OG1 2.99Å; A4-T9 PolarHBondContact O-N 2.84Å; A4-T9 PolarHBondContact O-OG1 3.18Å; A4-L10 HydrophobicContact CB-CD1 4.21Å; A4-L10 PolarHBondContact O-N 2.98Å; A4-Y13 HydrophobicContact CB-CD2 3.93Å; A4-Y13 HydrophobicContact CB-CG 3.92Å
5	L	47.2	Very low	49.8	Very low	51 Å²	51	88.3 Å²	88.3	27%	0.267	44%	0.443	S	S	.	.	H	α-helix	trans	-68.6	-50.6	169	-107	110.1	0	0	0	110.9	M1 L2 N7 N8 L10 F31 L34	M1-L5 PolarHBondContact O-N 2.97Å; L2-L5 WeakPolarHBondContact O-CB 3.15Å; L2-L5 PolarHBondContact O-N 3.07Å; L5-N7 PolarHBondContact O-N 3.14Å; L5-N8 PolarHBondContact O-N 3.09Å; L5-L10 HydrophobicContact CD1-CD1 3.54Å; L5-L10 HydrophobicContact CG-CD1 3.95Å; L5-F31 HydrophobicContact CD2-CD2 4.14Å; L5-F31 HydrophobicContact CD2-CE2 4.21Å; L5-L34 HydrophobicContact CD1-CD1 3.61Å; L5-L34 HydrophobicContact CD2-CD1 4.28Å
6	E	46.5	Very low	49.7	Very low	150 Å²	150	92.2 Å²	92.2	70%	0.701	46%	0.456	S	S	*	.	H	α-helix	trans	-61.2	-31.1	-179.3	-73.8	177.2	171.6	0	0	112.9	L2	L2-E6 PolarHBondContact O-N 3.22Å
7	N	49.8	Very low	49.3	Very low	105 Å²	105	90.1 Å²	90.1	56%	0.561	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	12.5	-177.1	-66.8	-55.2	0	0	0	114.2	N3 L5 T9	N3-N7 VanDerWaalsContact O-CB 3.3Å; N3-N7 WeakPolarHBondContact O-CB 3.21Å; N3-N7 PolarHBondContact O-N 3.44Å; N3-N7 PolarHBondContact O-ND2 3.17Å; L5-N7 PolarHBondContact O-N 3.14Å; N7-T9 HydrophobicContact CB-CG2 4.47Å; N7-T9 WeakPolarHBondContact O-CG2 3.24Å; N7-T9 PolarHBondContact O-N 3.05Å
8	N	49.6	Very low	49.2	Very low	148 Å²	148	90.2 Å²	90.2	79%	0.791	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	30.5	-176.1	-81.6	-21.6	0	0	0	114.4	A4 L5	A4-N8 PolarHBondContact O-N 2.74Å; L5-N8 PolarHBondContact O-N 3.09Å
9	T	55.9	Low	49.3	Very low	42 Å²	42	94 Å²	94	26%	0.258	48%	0.477	S	S	.	.			trans	-108.6	16.3	-176.3	44.3	0	0	0	0	112.3	A4 N7 H11 S12 Y13	A4-T9 WeakPolarHBondContact CA-OG1 2.99Å; A4-T9 PolarHBondContact O-N 2.84Å; A4-T9 PolarHBondContact O-OG1 3.18Å; N7-T9 HydrophobicContact CB-CG2 4.47Å; N7-T9 WeakPolarHBondContact O-CG2 3.24Å; N7-T9 PolarHBondContact O-N 3.05Å; T9-H11 VanDerWaalsContact C-N 3.28Å; T9-H11 PolarHBondContact O-N 3.46Å; T9-S12 WeakPolarHBondContact CB-OG 3.45Å; T9-S12 CarbonylContact O-C 3.25Å; T9-S12 WeakPolarHBondContact O-CA 3.28Å; T9-S12 WeakPolarHBondContact O-CB 3.45Å; T9-S12 PolarHBondContact O-N 2.97Å; T9-S12 PolarHBondContact O-OG 3.05Å; T9-Y13 PolarHBondContact O-N 3.19Å
10	L	52.9	Low	49.4	Very low	35 Å²	35	93.2 Å²	93.2	18%	0.183	47%	0.473	C	S	.	.	H	α-helix	trans	-57.5	-38	-178.8	-148.4	82.5	0	0	0	112.8	A4 L5 S12 Y13 S14 V27	A4-L10 HydrophobicContact CB-CD1 4.21Å; A4-L10 PolarHBondContact O-N 2.98Å; L5-L10 HydrophobicContact CD1-CD1 3.54Å; L5-L10 HydrophobicContact CG-CD1 3.95Å; L10-S12 VanDerWaalsContact C-N 3.32Å; L10-S12 PolarHBondContact O-N 2.79Å; L10-Y13 WeakPolarHBondContact O-CB 3.41Å; L10-Y13 PolarHBondContact O-N 3.42Å; L10-Y13 VanDerWaalsContact O-N 3.15Å; L10-S14 WeakPolarHBondContact O-CB 3.32Å; L10-S14 PolarHBondContact O-N 3.18Å; L10-V27 HydrophobicContact CD2-CG1 3.59Å
11	H	48.2	Very low	49.3	Very low	161 Å²	161	89.7 Å²	89.7	75%	0.745	46%	0.455	S	S	*	.	H	α-helix	trans	-61.7	-40.6	174.3	-169.5	-77.6	0	0	0	111.7	T9 Y13 Y15	T9-H11 VanDerWaalsContact C-N 3.28Å; T9-H11 PolarHBondContact O-N 3.46Å; H11-Y13 VanDerWaalsContact C-N 3.34Å; H11-Y15 VanDerWaalsContact O-CB 3.3Å; H11-Y15 WeakPolarHBondContact O-CB 3.31Å; H11-Y15 PolarHBondContact O-N 2.74Å
12	S	48.6	Very low	49.2	Very low	41 Å²	41	92 Å²	92	29%	0.287	48%	0.477	S	S	.	.	H	α-helix	trans	-72.7	-28	175.6	81.1	0	0	0	0	112.9	T9 L10 K16	T9-S12 WeakPolarHBondContact CB-OG 3.45Å; T9-S12 CarbonylContact O-C 3.25Å; T9-S12 WeakPolarHBondContact O-CA 3.28Å; T9-S12 WeakPolarHBondContact O-CB 3.45Å; T9-S12 PolarHBondContact O-N 2.97Å; T9-S12 PolarHBondContact O-OG 3.05Å; L10-S12 VanDerWaalsContact C-N 3.32Å; L10-S12 PolarHBondContact O-N 2.79Å; S12-K16 WeakPolarHBondContact O-CB 3.44Å; S12-K16 VanDerWaalsContact O-CG 3.27Å; S12-K16 WeakPolarHBondContact O-CG 3.46Å; S12-K16 PolarHBondContact O-N 3.46Å; S12-K16 VanDerWaalsContact O-N 3.16Å
13	Y	50.6	Low	49.1	Very low	60 Å²	60	90 Å²	90	24%	0.235	47%	0.469	C	S	.	.	H	α-helix	trans	-74	-43.6	176	-176	-87.5	0	0	0	111.5	M1 A4 T9 L10 H11 K16 N17 I20 F21	M1-Y13 HydrophobicContact CG-CD1 4.07Å; M1-Y13 HydrophobicContact CG-CE1 3.29Å; M1-Y13 HydrophobicContact CG-CE2 4.35Å; M1-Y13 VanDerWaalsContact CG-CZ 3.45Å; M1-Y13 WeakPolarHBondContact CG-OH 3.35Å; M1-Y13 HydrophobicContact SD-CE1 4.18Å; A4-Y13 HydrophobicContact CB-CD2 3.93Å; A4-Y13 HydrophobicContact CB-CG 3.92Å; T9-Y13 PolarHBondContact O-N 3.19Å; L10-Y13 WeakPolarHBondContact O-CB 3.41Å; L10-Y13 PolarHBondContact O-N 3.42Å; L10-Y13 VanDerWaalsContact O-N 3.15Å; H11-Y13 VanDerWaalsContact C-N 3.34Å; Y13-K16 PolarHBondContact O-N 3.38Å; Y13-N17 WeakPolarHBondContact O-CB 3.42Å; Y13-N17 PolarHBondContact O-N 3.47Å; Y13-N17 PolarHBondContact O-ND2 2.76Å; Y13-I20 HydrophobicContact CE1-CD1 4.14Å; Y13-F21 AromaticContact CD1-CE2 4Å; Y13-F21 HydrophobicContact CD1-CE2 4Å; Y13-F21 HydrophobicContact CD1-CZ 4.44Å; Y13-F21 HydrophobicContact CE1-CE2 4.05Å; Y13-F21 HydrophobicContact CE1-CZ 4.35Å
14	S	49.4	Very low	48.5	Very low	44 Å²	44	90.2 Å²	90.2	31%	0.308	48%	0.475	S	S	.	.	H	α-helix	trans	-61.7	-46.1	173	174.4	0	0	0	0	111	L10 K16 N17	L10-S14 WeakPolarHBondContact O-CB 3.32Å; L10-S14 PolarHBondContact O-N 3.18Å; S14-K16 VanDerWaalsContact C-N 3.28Å; S14-K16 PolarHBondContact O-N 2.9Å; S14-N17 CarbonylContact O-C 3.53Å; S14-N17 PolarHBondContact O-N 2.85Å; S14-N17 VanDerWaalsContact O-N 3.17Å
15	Y	50.5	Low	48.2	Very low	198 Å²	198	94.8 Å²	94.8	78%	0.776	50%	0.498	S	S	*	.	H	α-helix	trans	-62	-32	176.3	-170.1	-94.3	0	0	0	113.8	H11	H11-Y15 VanDerWaalsContact O-CB 3.3Å; H11-Y15 WeakPolarHBondContact O-CB 3.31Å; H11-Y15 PolarHBondContact O-N 2.74Å
16	K	48.4	Very low	48.2	Very low	151 Å²	151	94.6 Å²	94.6	66%	0.657	50%	0.497	S	S	*	.	H	α-helix	trans	-84.3	-18.5	178.1	-77.7	177.1	-179.6	175.9	0	113.8	S12 Y13 S14	S12-K16 WeakPolarHBondContact O-CB 3.44Å; S12-K16 VanDerWaalsContact O-CG 3.27Å; S12-K16 WeakPolarHBondContact O-CG 3.46Å; S12-K16 PolarHBondContact O-N 3.46Å; S12-K16 VanDerWaalsContact O-N 3.16Å; Y13-K16 PolarHBondContact O-N 3.38Å; S14-K16 VanDerWaalsContact C-N 3.28Å; S14-K16 PolarHBondContact O-N 2.9Å
17	N	42.9	Very low	48.3	Very low	56 Å²	56	89 Å²	89	30%	0.299	47%	0.474	S	S	.	.			trans	-133	67.6	-175.6	-58.9	-78.8	0	0	0	110.8	Y13 S14 N19 I20	Y13-N17 WeakPolarHBondContact O-CB 3.42Å; Y13-N17 PolarHBondContact O-N 3.47Å; Y13-N17 PolarHBondContact O-ND2 2.76Å; S14-N17 CarbonylContact O-C 3.53Å; S14-N17 PolarHBondContact O-N 2.85Å; S14-N17 VanDerWaalsContact O-N 3.17Å; N17-N19 PolarHBondContact O-N 3.35Å; N17-N19 VanDerWaalsContact O-N 3.1Å; N17-I20 HydrophobicContact CB-CB 4.16Å; N17-I20 HydrophobicContact CB-CD1 3.39Å; N17-I20 HydrophobicContact CB-CG1 3.73Å; N17-I20 PolarHBondContact O-N 2.87Å; N17-I20 VanDerWaalsContact O-N 3.14Å
18	P	48	Very low	48.2	Very low	93 Å²	93	86 Å²	86	60%	0.604	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21	-178.1	25.9	-34.4	0	0	0	112.9
19	N	52	Low	48.2	Very low	162 Å²	162	83.1 Å²	83.1	87%	0.866	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-7	-178.3	-58.6	-10.1	0	0	0	113.8	N17	N17-N19 PolarHBondContact O-N 3.35Å; N17-N19 VanDerWaalsContact O-N 3.1Å
20	I	51	Low	47.9	Very low	78 Å²	78	83.8 Å²	83.8	40%	0.4	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-24.6	-179	-65.1	-179.3	0	0	0	111.4	Y13 N17	Y13-I20 HydrophobicContact CE1-CD1 4.14Å; N17-I20 HydrophobicContact CB-CB 4.16Å; N17-I20 HydrophobicContact CB-CD1 3.39Å; N17-I20 HydrophobicContact CB-CG1 3.73Å; N17-I20 PolarHBondContact O-N 2.87Å; N17-I20 VanDerWaalsContact O-N 3.14Å
21	F	46.2	Very low	47.6	Very low	19 Å²	19	85.3 Å²	85.3	8%	0.083	46%	0.455	C	S	.	.			trans	-123.9	103.4	179.9	-56.4	-76.8	0	0	0	107.9	M1 Y13 T23 D26 V27 L30	M1-F21 HydrophobicContact CE-CE1 3.83Å; M1-F21 HydrophobicContact CE-CZ 3.5Å; M1-F21 HydrophobicContact SD-CE1 4.2Å; M1-F21 HydrophobicContact SD-CZ 3.72Å; Y13-F21 AromaticContact CD1-CE2 4Å; Y13-F21 HydrophobicContact CD1-CE2 4Å; Y13-F21 HydrophobicContact CD1-CZ 4.44Å; Y13-F21 HydrophobicContact CE1-CE2 4.05Å; Y13-F21 HydrophobicContact CE1-CZ 4.35Å; F21-T23 PolarHBondContact O-N 3.05Å; F21-D26 HydrophobicContact CB-CB 4.26Å; F21-D26 HydrophobicContact CD1-CB 3.86Å; F21-V27 HydrophobicContact CB-CG2 3.85Å; F21-V27 HydrophobicContact CD1-CB 4.19Å; F21-V27 HydrophobicContact CD1-CG2 3.33Å; F21-V27 HydrophobicContact CD2-CG2 3.87Å; F21-V27 HydrophobicContact CE1-CB 4.3Å; F21-V27 HydrophobicContact CE1-CG2 3.71Å; F21-V27 HydrophobicContact CE2-CG2 4.22Å; F21-V27 HydrophobicContact CG-CG2 3.39Å; F21-V27 HydrophobicContact CZ-CG2 4.14Å; F21-L30 HydrophobicContact CE1-CD1 3.81Å
22	S	42.7	Very low	47.8	Very low	107 Å²	107	81.7 Å²	81.7	75%	0.748	44%	0.444	S	S	*	.	S	Bend	trans	-68.5	-24	177.8	69.4	0	0	0	0	111.8	D26	S22-D26 WeakPolarHBondContact CA-OD2 3.43Å; S22-D26 WeakPolarHBondContact CB-OD2 3.34Å; S22-D26 PolarHBondContact N-OD2 3.11Å; S22-D26 PolarHBondContact OG-OD2 3.35Å
23	T	44.7	Very low	47.6	Very low	66 Å²	66	85.3 Å²	85.3	41%	0.405	46%	0.458	S	S	.	.	S	Bend	trans	-142.7	155	176.7	63.5	0	0	0	0	110.8	F21 N25 D26	F21-T23 PolarHBondContact O-N 3.05Å; T23-N25 PolarHBondContact O-N 3.41Å; T23-N25 WeakPolarHBondContact OG1-CB 3.48Å; T23-N25 PolarHBondContact OG1-N 3.13Å; T23-D26 PolarHBondContact N-OD2 2.93Å; T23-D26 WeakPolarHBondContact O-CB 3.12Å; T23-D26 PolarHBondContact O-N 3.45Å; T23-D26 VanDerWaalsContact OG1-CG 3.26Å; T23-D26 PolarHBondContact OG1-N 2.77Å; T23-D26 PolarHBondContact OG1-OD1 3.25Å; T23-D26 PolarHBondContact OG1-OD2 3.34Å
24	T	41.7	Very low	47.3	Very low	120 Å²	120	84.4 Å²	84.4	74%	0.736	46%	0.457	S	S	*	.	H	α-helix	trans	-56.3	-24.6	167.3	39.1	0	0	0	0	112.3	D26 V27 A28	T24-D26 VanDerWaalsContact C-N 3.34Å; T24-V27 PolarHBondContact O-N 2.83Å; T24-A28 PolarHBondContact O-N 3.33Å
25	N	44.9	Very low	47.1	Very low	104 Å²	104	87 Å²	87	56%	0.556	47%	0.467	S	S	*	.	H	α-helix	trans	-66.4	-30.2	171.9	-87.9	3.9	0	0	0	113.4	T23 V27 A28 N29	T23-N25 PolarHBondContact O-N 3.41Å; T23-N25 WeakPolarHBondContact OG1-CB 3.48Å; T23-N25 PolarHBondContact OG1-N 3.13Å; N25-V27 VanDerWaalsContact C-N 3.3Å; N25-V27 PolarHBondContact O-N 2.96Å; N25-A28 PolarHBondContact O-N 2.96Å; N25-N29 VanDerWaalsContact O-CB 3.26Å; N25-N29 WeakPolarHBondContact O-CB 3.46Å; N25-N29 PolarHBondContact O-N 3.21Å; N25-N29 PolarHBondContact O-ND2 3.14Å
26	D	47.9	Very low	46.8	Very low	46 Å²	46	81.7 Å²	81.7	25%	0.246	46%	0.464	C	S	.	.	H	α-helix	trans	-67.4	-35.2	179.8	-61.8	-27.5	0	0	0	111.4	F21 S22 T23 T24 L30	F21-D26 HydrophobicContact CB-CB 4.26Å; F21-D26 HydrophobicContact CD1-CB 3.86Å; S22-D26 WeakPolarHBondContact CA-OD2 3.43Å; S22-D26 WeakPolarHBondContact CB-OD2 3.34Å; S22-D26 PolarHBondContact N-OD2 3.11Å; S22-D26 PolarHBondContact OG-OD2 3.35Å; T23-D26 PolarHBondContact N-OD2 2.93Å; T23-D26 WeakPolarHBondContact O-CB 3.12Å; T23-D26 PolarHBondContact O-N 3.45Å; T23-D26 VanDerWaalsContact OG1-CG 3.26Å; T23-D26 PolarHBondContact OG1-N 2.77Å; T23-D26 PolarHBondContact OG1-OD1 3.25Å; T23-D26 PolarHBondContact OG1-OD2 3.34Å; T24-D26 VanDerWaalsContact C-N 3.34Å; D26-L30 WeakPolarHBondContact O-CB 3.1Å; D26-L30 PolarHBondContact O-N 3.46Å
27	V	48.6	Very low	46.5	Very low	34 Å²	34	81.7 Å²	81.7	21%	0.206	47%	0.466	C	S	.	.	H	α-helix	trans	-68.6	-43.4	175.3	-175.2	0	0	0	0	110.6	L10 F21 T24 N25 F31	L10-V27 HydrophobicContact CD2-CG1 3.59Å; F21-V27 HydrophobicContact CB-CG2 3.85Å; F21-V27 HydrophobicContact CD1-CB 4.19Å; F21-V27 HydrophobicContact CD1-CG2 3.33Å; F21-V27 HydrophobicContact CD2-CG2 3.87Å; F21-V27 HydrophobicContact CE1-CB 4.3Å; F21-V27 HydrophobicContact CE1-CG2 3.71Å; F21-V27 HydrophobicContact CE2-CG2 4.22Å; F21-V27 HydrophobicContact CG-CG2 3.39Å; F21-V27 HydrophobicContact CZ-CG2 4.14Å; T24-V27 PolarHBondContact O-N 2.83Å; N25-V27 VanDerWaalsContact C-N 3.3Å; N25-V27 PolarHBondContact O-N 2.96Å; V27-F31 WeakPolarHBondContact O-CB 3.33Å; V27-F31 PolarHBondContact O-N 2.67Å
28	A	48.6	Very low	46.2	Very low	40 Å²	40	86.5 Å²	86.5	33%	0.331	49%	0.487	S	S	.	.	H	α-helix	trans	-64.3	-46.4	177.4	0	0	0	0	0	111.1	T24 N25 F31 T32	T24-A28 PolarHBondContact O-N 3.33Å; N25-A28 PolarHBondContact O-N 2.96Å; A28-F31 WeakPolarHBondContact O-CA 3.45Å; A28-F31 VanDerWaalsContact O-CB 3.3Å; A28-F31 WeakPolarHBondContact O-CB 3.48Å; A28-F31 PolarHBondContact O-N 3.34Å; A28-F31 VanDerWaalsContact O-N 3.11Å; A28-T32 PolarHBondContact O-N 3.05Å; A28-T32 PolarHBondContact O-OG1 3.18Å
29	N	49.7	Very low	45.5	Very low	88 Å²	88	89.2 Å²	89.2	47%	0.471	49%	0.492	S	S	.	.	H	α-helix	trans	-65.3	-38.9	178.7	-70.8	-23.6	0	0	0	112.7	N25 F31 T32 M33	N25-N29 VanDerWaalsContact O-CB 3.26Å; N25-N29 WeakPolarHBondContact O-CB 3.46Å; N25-N29 PolarHBondContact O-N 3.21Å; N25-N29 PolarHBondContact O-ND2 3.14Å; N29-F31 VanDerWaalsContact C-N 3.29Å; N29-F31 PolarHBondContact O-N 3.33Å; N29-T32 WeakPolarHBondContact CA-OG1 3.49Å; N29-T32 PolarHBondContact O-N 2.9Å; N29-T32 PolarHBondContact O-OG1 2.83Å; N29-M33 WeakPolarHBondContact O-CB 3.5Å; N29-M33 WeakPolarHBondContact O-CG 2.83Å; N29-M33 PolarHBondContact O-N 2.96Å
30	L	48.5	Very low	44.4	Very low	56 Å²	56	86.3 Å²	86.3	29%	0.293	48%	0.481	S	S	.	.	H	α-helix	trans	-63.8	-36.3	171.7	-107.2	141.8	0	0	0	111.8	M1 F21 D26 L34	M1-L30 HydrophobicContact CE-CB 4.17Å; M1-L30 HydrophobicContact CE-CD1 3.87Å; M1-L30 HydrophobicContact CE-CD2 3.67Å; M1-L30 HydrophobicContact CE-CG 4.1Å; M1-L30 HydrophobicContact SD-CD1 4.2Å; M1-L30 HydrophobicContact SD-CD2 4.28Å; F21-L30 HydrophobicContact CE1-CD1 3.81Å; D26-L30 WeakPolarHBondContact O-CB 3.1Å; D26-L30 PolarHBondContact O-N 3.46Å; L30-L34 HydrophobicContact CD2-CD1 4.18Å; L30-L34 VanDerWaalsContact O-CB 3.28Å; L30-L34 WeakPolarHBondContact O-CB 3.39Å; L30-L34 WeakPolarHBondContact O-CD1 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.33Å; L30-L34 PolarHBondContact O-N 2.88Å
31	F	47	Very low	43.4	Very low	68 Å²	68	87.1 Å²	87.1	30%	0.298	49%	0.494	S	S	.	.	H	α-helix	trans	-67.7	-43.7	175.9	-167	-102.2	0	0	0	111.6	L5 V27 A28 N29 L34 L35 Y53	L5-F31 HydrophobicContact CD2-CD2 4.14Å; L5-F31 HydrophobicContact CD2-CE2 4.21Å; V27-F31 WeakPolarHBondContact O-CB 3.33Å; V27-F31 PolarHBondContact O-N 2.67Å; A28-F31 WeakPolarHBondContact O-CA 3.45Å; A28-F31 VanDerWaalsContact O-CB 3.3Å; A28-F31 WeakPolarHBondContact O-CB 3.48Å; A28-F31 PolarHBondContact O-N 3.34Å; A28-F31 VanDerWaalsContact O-N 3.11Å; N29-F31 VanDerWaalsContact C-N 3.29Å; N29-F31 PolarHBondContact O-N 3.33Å; F31-L34 PolarHBondContact O-N 3.24Å; F31-L35 HydrophobicContact CD1-CD1 3.6Å; F31-L35 HydrophobicContact CE1-CD1 3.44Å; F31-L35 VanDerWaalsContact CE1-CD1 3.44Å; F31-L35 HydrophobicContact CE1-CG 4.44Å; F31-L35 HydrophobicContact CG-CD1 4.4Å; F31-L35 HydrophobicContact CZ-CD1 4.12Å; F31-L35 WeakPolarHBondContact O-CB 3.49Å; F31-L35 VanDerWaalsContact O-CG 3.3Å; F31-L35 WeakPolarHBondContact O-CG 3.19Å; F31-L35 PolarHBondContact O-N 3.15Å; F31-Y53 HydrophobicContact CZ-CE1 4.19Å
32	T	51.2	Low	42.7	Very low	85 Å²	85	94.5 Å²	94.5	52%	0.521	53%	0.528	S	S	.	.	H	α-helix	trans	-65.3	-39.7	174.5	-1.1	0	0	0	0	112.4	A28 N29 A36	A28-T32 PolarHBondContact O-N 3.05Å; A28-T32 PolarHBondContact O-OG1 3.18Å; N29-T32 WeakPolarHBondContact CA-OG1 3.49Å; N29-T32 PolarHBondContact O-N 2.9Å; N29-T32 PolarHBondContact O-OG1 2.83Å; T32-A36 VanDerWaalsContact O-CB 3.3Å; T32-A36 WeakPolarHBondContact O-CB 3.43Å; T32-A36 PolarHBondContact O-N 3.37Å
33	M	45.5	Very low	42.2	Very low	117 Å²	117	95.7 Å²	95.7	58%	0.576	53%	0.525	S	S	*	.	H	α-helix	trans	-65.9	-41.5	175.6	-84.9	180	41.4	0	0	112.9	N29 A36 Q37	N29-M33 WeakPolarHBondContact O-CB 3.5Å; N29-M33 WeakPolarHBondContact O-CG 2.83Å; N29-M33 PolarHBondContact O-N 2.96Å; M33-A36 PolarHBondContact O-N 3.24Å; M33-Q37 PolarHBondContact O-N 3.17Å
34	L	44.6	Very low	41.4	Very low	40 Å²	40	100.4 Å²	100.4	21%	0.209	55%	0.548	C	S	.	.	H	α-helix	trans	-69.9	-33.6	178.9	-76.5	165.1	0	0	0	112.2	L2 L5 L30 F31	L2-L34 HydrophobicContact CD2-CD2 3.91Å; L5-L34 HydrophobicContact CD1-CD1 3.61Å; L5-L34 HydrophobicContact CD2-CD1 4.28Å; L30-L34 HydrophobicContact CD2-CD1 4.18Å; L30-L34 VanDerWaalsContact O-CB 3.28Å; L30-L34 WeakPolarHBondContact O-CB 3.39Å; L30-L34 WeakPolarHBondContact O-CD1 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.33Å; L30-L34 PolarHBondContact O-N 2.88Å; F31-L34 PolarHBondContact O-N 3.24Å
35	L	44.9	Very low	40.7	Very low	100 Å²	100	105.1 Å²	105.1	52%	0.524	55%	0.552	S	S	.	*	H	α-helix	trans	-70.1	-35.7	171.4	-74.8	168.6	0	0	0	112.3	F31 Q37	F31-L35 HydrophobicContact CD1-CD1 3.6Å; F31-L35 HydrophobicContact CE1-CD1 3.44Å; F31-L35 VanDerWaalsContact CE1-CD1 3.44Å; F31-L35 HydrophobicContact CE1-CG 4.44Å; F31-L35 HydrophobicContact CG-CD1 4.4Å; F31-L35 HydrophobicContact CZ-CD1 4.12Å; F31-L35 WeakPolarHBondContact O-CB 3.49Å; F31-L35 VanDerWaalsContact O-CG 3.3Å; F31-L35 WeakPolarHBondContact O-CG 3.19Å; F31-L35 PolarHBondContact O-N 3.15Å; L35-Q37 VanDerWaalsContact C-N 3.32Å; L35-Q37 PolarHBondContact O-N 3.28Å
36	A	43.4	Very low	39.8	Very low	86 Å²	86	109.5 Å²	109.5	71%	0.711	57%	0.569	S	S	*	*	H	α-helix	trans	-73.3	-19.6	178.5	0	0	0	0	0	114	T32 M33	T32-A36 VanDerWaalsContact O-CB 3.3Å; T32-A36 WeakPolarHBondContact O-CB 3.43Å; T32-A36 PolarHBondContact O-N 3.37Å; M33-A36 PolarHBondContact O-N 3.24Å
37	Q	42.7	Very low	38.9	Very low	150 Å²	150	113.2 Å²	113.2	70%	0.701	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-7.4	177.7	-78.4	-171.3	-24.9	0	0	114.4	M33 L35 Q39	M33-Q37 PolarHBondContact O-N 3.17Å; L35-Q37 VanDerWaalsContact C-N 3.32Å; L35-Q37 PolarHBondContact O-N 3.28Å; Q37-Q39 PolarHBondContact O-N 2.77Å
38	Q	37.5	Very low	37.9	Very low	157 Å²	157	115.5 Å²	115.5	73%	0.734	60%	0.604	S	S	*	*	S	Bend	trans	-79.4	111.5	177	-70.8	-158.7	-20.8	0	0	111
39	Q	31.3	Very low	37.1	Very low	151 Å²	151	117.7 Å²	117.7	71%	0.706	61%	0.61	S	S	*	*			trans	-53.3	143	178.9	-74	-82.4	-21.4	0	0	112.3	Q37 S41	Q37-Q39 PolarHBondContact O-N 2.77Å; Q39-S41 PolarHBondContact O-N 2.96Å
40	P	30.2	Very low	36	Very low	100 Å²	100	123 Å²	123	65%	0.649	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-67	1.2	-172.6	-17.1	30.1	0	0	0	116.1	H42 I43	P40-H42 PolarHBondContact O-N 2.75Å; P40-I43 HydrophobicContact CB-CD1 4.23Å; P40-I43 WeakPolarHBondContact O-CD1 3.3Å
41	S	29.3	Very low	35.1	Very low	96 Å²	96	124.6 Å²	124.6	67%	0.671	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-86.2	0.2	-166.4	52.3	0	0	0	0	115.8	Q39	Q39-S41 PolarHBondContact O-N 2.96Å
42	H	32.2	Very low	34.3	Very low	173 Å²	173	129.8 Å²	129.8	80%	0.801	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-117.9	16.2	-178.2	-86.2	-80.4	0	0	0	115.3	P40 N44	P40-H42 PolarHBondContact O-N 2.75Å; H42-N44 VanDerWaalsContact C-N 3.28Å; H42-N44 PolarHBondContact O-N 3.4Å; H42-N44 VanDerWaalsContact O-N 3.16Å
43	I	31.7	Very low	33.2	Very low	132 Å²	132	130 Å²	130	68%	0.677	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-3.2	-168.1	-66	173.7	0	0	0	114.9	P40	P40-I43 HydrophobicContact CB-CD1 4.23Å; P40-I43 WeakPolarHBondContact O-CD1 3.3Å
44	N	27.1	Very low	32.3	Very low	166 Å²	166	132.1 Å²	132.1	89%	0.888	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	26.5	-172.9	-77.6	-19.8	0	0	0	116.9	H42	H42-N44 VanDerWaalsContact C-N 3.28Å; H42-N44 PolarHBondContact O-N 3.4Å; H42-N44 VanDerWaalsContact O-N 3.16Å
45	R	28.6	Very low	31.4	Very low	219 Å²	219	134.4 Å²	134.4	83%	0.826	68%	0.682	S	S	*	*	S	Bend	trans	-124	115.5	163.2	-84.4	-176.4	172.3	172.7	-2.1	109.5	L47	R45-L47 WeakPolarHBondContact O-CD1 3.47Å; R45-L47 PolarHBondContact O-N 2.93Å; R45-L47 VanDerWaalsContact O-N 3.11Å
46	E	25.3	Very low	30.7	Very low	196 Å²	196	133.6 Å²	133.6	92%	0.916	68%	0.681	S	S	*	*			trans	-35.3	106.7	-179.9	-59	-174.9	156.9	0	0	113.5
47	L	29.6	Very low	29.8	Very low	123 Å²	123	137.2 Å²	137.2	64%	0.644	68%	0.681	S	S	*	*			trans	-121	110.2	165.7	-96.7	106.2	0	0	0	108.8	R45 L49	R45-L47 WeakPolarHBondContact O-CD1 3.47Å; R45-L47 PolarHBondContact O-N 2.93Å; R45-L47 VanDerWaalsContact O-N 3.11Å; L47-L49 HydrophobicContact CB-CD1 3.97Å; L47-L49 HydrophobicContact CB-CG 4.01Å; L47-L49 HydrophobicContact CD2-CD1 3.34Å; L47-L49 HydrophobicContact CD2-CD2 4.24Å; L47-L49 HydrophobicContact CD2-CG 3.65Å; L47-L49 HydrophobicContact CG-CD1 4.26Å; L47-L49 HydrophobicContact CG-CG 4.44Å; L47-L49 PolarHBondContact O-N 3.12Å
48	P	28.2	Very low	29.2	Very low	83 Å²	83	135.7 Å²	135.7	54%	0.539	68%	0.681	S	S	.	*			trans	-76.7	71.3	168.9	32	-30.3	0	0	0	108.4
49	L	30.1	Very low	28.7	Very low	85 Å²	85	135.7 Å²	135.7	45%	0.445	68%	0.681	S	S	.	*			trans	-90	-10.1	176.1	-79.5	169.7	0	0	0	112.6	L47 Y53	L47-L49 HydrophobicContact CB-CD1 3.97Å; L47-L49 HydrophobicContact CB-CG 4.01Å; L47-L49 HydrophobicContact CD2-CD1 3.34Å; L47-L49 HydrophobicContact CD2-CD2 4.24Å; L47-L49 HydrophobicContact CD2-CG 3.65Å; L47-L49 HydrophobicContact CG-CD1 4.26Å; L47-L49 HydrophobicContact CG-CG 4.44Å; L47-L49 PolarHBondContact O-N 3.12Å; L49-Y53 HydrophobicContact CD2-CE2 3.88Å; L49-Y53 VanDerWaalsContact O-CD2 3.27Å; L49-Y53 WeakPolarHBondContact O-CD2 3.39Å
50	K	27.7	Very low	28.4	Very low	199 Å²	199	135.4 Å²	135.4	87%	0.865	69%	0.685	S	S	*	*	S	Bend	trans	-84.6	-24.8	-179	-119.5	177.5	179.3	179.7	0	114.2
51	S	29.8	Very low	28.3	Very low	91 Å²	91	135.8 Å²	135.8	64%	0.636	69%	0.69	S	S	*	*	S	Bend	trans	-92.5	-11.8	179.7	56.9	0	0	0	0	114.4
52	R	28.5	Very low	28.1	Very low	176 Å²	176	139 Å²	139	66%	0.664	70%	0.699	S	S	*	*	S	Bend	trans	-89	-11.4	-177.3	-75.5	-172.6	-174.3	-172.6	3.3	115.2
53	Y	28.7	Very low	27.8	Very low	90 Å²	90	136.9 Å²	136.9	35%	0.353	70%	0.697	S	S	.	*	S	Bend	trans	-112	0.3	-170.6	-74.7	-87.9	0	0	0	114.7	F31 L49	F31-Y53 HydrophobicContact CZ-CE1 4.19Å; L49-Y53 HydrophobicContact CD2-CE2 3.88Å; L49-Y53 VanDerWaalsContact O-CD2 3.27Å; L49-Y53 WeakPolarHBondContact O-CD2 3.39Å
54	Q	27	Very low	27.4	Very low	162 Å²	162	141 Å²	141	76%	0.757	71%	0.706	S	S	*	*	S	Bend	trans	-81.4	-21.1	178.2	-141.7	156.3	-4.5	0	0	112.8
55	S	26.8	Very low	27.3	Very low	88 Å²	88	140.8 Å²	140.8	62%	0.615	71%	0.705	S	S	*	*	S	Bend	trans	-87.6	-13.3	175.8	57.8	0	0	0	0	114.4
56	V	28.3	Very low	27	Very low	83 Å²	83	139.6 Å²	139.6	50%	0.503	71%	0.706	S	S	.	*	S	Bend	trans	-92.7	-13.2	-177.9	-177	0	0	0	0	112
57	F	25.6	Very low	27	Very low	162 Å²	162	137.6 Å²	137.6	71%	0.711	70%	0.701	S	S	*	*	S	Bend	trans	-95.5	-0.3	-172.9	-100.8	-89.1	0	0	0	115.6
58	V	29.1	Very low	26.7	Very low	117 Å²	117	139.7 Å²	139.7	71%	0.709	71%	0.712	S	S	*	*	S	Bend	trans	-106.5	-18.1	-177	-177.1	0	0	0	0	113.4
59	E	26.8	Very low	26.5	Very low	157 Å²	157	145.8 Å²	145.8	73%	0.734	73%	0.725	S	S	*	*	S	Bend	trans	-107.1	-1.2	-165.2	-68.7	-169.5	149.1	0	0	116.8
60	N	26.3	Very low	26.1	Very low	146 Å²	146	148.6 Å²	148.6	78%	0.781	75%	0.746	S	S	*	*	S	Bend	trans	-107.7	7	-180	-77.2	-35.1	0	0	0	115.1	L62	N60-L62 PolarHBondContact O-N 3.14Å
61	S	27.8	Very low	26	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	7.4	-179.5	-64.4	0	0	0	0	115.3
62	L	25.9	Very low	25.8	Very low	165 Å²	165	146.7 Å²	146.7	86%	0.864	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.4	8.1	-172.4	-78.6	174.2	0	0	0	116.9	N60	N60-L62 PolarHBondContact O-N 3.14Å
63	V	25.4	Very low	25.6	Very low	127 Å²	127	144.4 Å²	144.4	77%	0.77	75%	0.75	S	S	*	*	S	Bend	trans	-137.1	57.5	-177.5	-162.4	0	0	0	0	112.6
64	Y	23.7	Very low	25.6	Very low	220 Å²	220	146.3 Å²	146.3	86%	0.863	77%	0.773	S	S	*	*			trans	-154.7	72	155.4	-106.8	-80.2	0	0	0	108.9
65	N	23.3	Very low	25.6	Very low	161 Å²	161	143 Å²	143	86%	0.861	77%	0.774	S	S	*	*			trans	-141.7	66.9	164.9	-96.8	-28.3	0	0	0	107.9
66	F	23.2	Very low	25.5	Very low	194 Å²	194	148.6 Å²	148.6	85%	0.851	79%	0.787	S	S	*	*	S	Bend	trans	-141.6	123.1	161.2	-110.3	-87.3	0	0	0	107
67	L	25.1	Very low	25.6	Very low	154 Å²	154	149.6 Å²	149.6	81%	0.806	80%	0.798	S	S	*	*	S	Bend	trans	83	71.7	173.3	-46.2	170.9	0	0	0	115.2
68	N	22.6	Very low	25.6	Very low	166 Å²	166	147.9 Å²	147.9	89%	0.888	80%	0.801	S	S	*	*			trans	179.9	77.5	139.7	-88.2	-15	0	0	0	110.2
69	R	24.3	Very low	25.5	Very low	211 Å²	211	149 Å²	149	80%	0.796	81%	0.807	S	S	*	*			trans	-135.3	96	154.4	-86.2	-172.1	-173.7	-116.3	1.2	108.4	E71	R69-E71 IonicContact CZ-OE1 3.94Å; R69-E71 IonicContact NH1-OE1 2.94Å; R69-E71 PolarHBondContact NH1-OE1 2.95Å; R69-E71 PolarHBondContact O-N 3.45Å
70	T	22.7	Very low	25.4	Very low	144 Å²	144	145 Å²	145	88%	0.883	80%	0.801	S	S	*	*			trans	-61.5	100.9	154.5	44.4	0	0	0	0	107.7
71	E	25.8	Very low	25.4	Very low	143 Å²	143	143.8 Å²	143.8	67%	0.668	80%	0.799	S	S	*	*			trans	-127	113.6	168.5	-75.4	-177.8	-167.9	0	0	109.2	R69	R69-E71 IonicContact CZ-OE1 3.94Å; R69-E71 IonicContact NH1-OE1 2.94Å; R69-E71 PolarHBondContact NH1-OE1 2.95Å; R69-E71 PolarHBondContact O-N 3.45Å
72	S	24.1	Very low	25.3	Very low	108 Å²	108	144.1 Å²	144.1	76%	0.755	80%	0.797	S	S	*	*			trans	-59.2	157.4	171.8	44.3	0	0	0	0	113.2
73	P	26	Very low	25.2	Very low	127 Å²	127	141.8 Å²	141.8	83%	0.825	79%	0.79	S	S	*	*			trans	-86.6	151.7	-174.5	35.6	-32.2	0	0	0	112.2
74	P	28.7	Very low	25.3	Very low	131 Å²	131	142.3 Å²	142.3	85%	0.851	79%	0.793	S	S	*	*			trans	-112.9	162.3	152.9	32.6	-19.8	0	0	0	112.7
75	A	26.1	Very low	25.3	Very low	93 Å²	93	138.1 Å²	138.1	77%	0.769	79%	0.79	S	S	*	*			trans	-87.8	155	-155.1	0	0	0	0	0	116.4
76	K	25.7	Very low	25.6	Very low	204 Å²	204	135.3 Å²	135.3	89%	0.887	79%	0.79	S	S	*	*			trans	19.3	122.9	143.2	-61.3	177.9	178.8	178.5	0	119.5
77	S	29.4	Very low	25.6	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	78%	0.784	S	S	*	*				180	102.7	123.9	61.8	0	0	0	0	109.9
78	T	25.2	Very low	25.6	Very low	126 Å²	126	130.9 Å²	130.9	77%	0.773	78%	0.78	S	S	*	*				67.9	111.7	108.8	42	0	0	0	0	116.1
79	V	26.6	Very low	25.6	Very low	140 Å²	140	131 Å²	131	85%	0.848	78%	0.776	S	S	*	*				111.1	135.5	107.5	162.7	0	0	0	0	108
80	A	25.9	Very low	25.7	Very low	72 Å²	72	132.3 Å²	132.3	60%	0.595	78%	0.782	S	S	*	*			cis	-160	159.6	11.5	0	0	0	0	0	110.4
81	T	25.6	Very low	25.6	Very low	122 Å²	122	134.1 Å²	134.1	75%	0.748	78%	0.781	S	S	*	*			trans	55.3	135.5	137.6	47.1	0	0	0	0	119.9
82	T	26.1	Very low	25.5	Very low	114 Å²	114	136.9 Å²	136.9	70%	0.699	79%	0.786	S	S	*	*			cis	-171.4	135.9	32.5	3.6	0	0	0	0	109.2
83	T	23.3	Very low	25.4	Very low	116 Å²	116	139.1 Å²	139.1	71%	0.712	79%	0.785	S	S	*	*			trans	28.1	128.9	135.3	54	0	0	0	0	118.4
84	T	28.4	Very low	25.2	Very low	138 Å²	138	141.5 Å²	141.5	85%	0.847	79%	0.785	S	S	*	*				-158.8	149.8	70.9	11.4	0	0	0	0	114.8
85	T	23.8	Very low	24.9	Very low	131 Å²	131	143 Å²	143	80%	0.804	79%	0.785	S	S	*	*			trans	-60.2	147.6	174.2	45.1	0	0	0	0	116.3
86	A	29	Very low	24.8	Very low	103 Å²	103	149.1 Å²	149.1	85%	0.851	79%	0.788	S	S	*	*				-171.5	139.8	121.2	0	0	0	0	0	112.4
87	T	24.1	Very low	24.7	Very low	118 Å²	118	145 Å²	145	72%	0.724	78%	0.783	S	S	*	*			trans	-95.5	144.6	-167.7	47.1	0	0	0	0	113.2
88	N	24.9	Very low	24.4	Very low	137 Å²	137	147.9 Å²	147.9	73%	0.733	79%	0.788	S	S	*	*				159.1	122	112.5	-86.2	-27	0	0	0	114.6
89	Q	21.9	Very low	24.4	Very low	169 Å²	169	147.1 Å²	147.1	79%	0.79	79%	0.788	S	S	*	*			trans	16.2	121.9	140	-61.9	178.2	-33.6	0	0	120.1
90	Y	26.3	Very low	24.4	Very low	238 Å²	238	144.8 Å²	144.8	93%	0.933	78%	0.778	S	S	*	*				-151.1	130.9	123.9	-88.9	-75.8	0	0	0	109.6
91	E	20.8	Very low	24.6	Very low	181 Å²	181	149.6 Å²	149.6	85%	0.846	79%	0.785	S	S	*	*			trans	-89.2	123.4	177.1	-179.5	176.1	-164.8	0	0	108.8
92	Y	23.2	Very low	24.9	Very low	202 Å²	202	150.4 Å²	150.4	79%	0.792	78%	0.781	S	S	*	*			trans	-159.6	111.3	157.3	-125.2	-88.9	0	0	0	112.6
93	Q	23	Very low	24.9	Very low	154 Å²	154	146.7 Å²	146.7	72%	0.72	76%	0.76	S	S	*	*			trans	40.8	108.3	149.2	-66.2	-179.7	-14.4	0	0	120	L95	Q93-L95 PolarHBondContact O-N 3.01Å; Q93-L95 VanDerWaalsContact O-N 3.16Å
94	E	21.9	Very low	25.1	Very low	177 Å²	177	146 Å²	146	83%	0.827	75%	0.746	S	S	*	*			trans	-57.2	107	169.9	-64.9	-176.5	159.1	0	0	113.3
95	L	21.9	Very low	25.2	Very low	164 Å²	164	147.6 Å²	147.6	86%	0.859	74%	0.738	S	S	*	*			trans	-109	102.7	158.6	-79.6	163.1	0	0	0	108.2	Q93	Q93-L95 PolarHBondContact O-N 3.01Å; Q93-L95 VanDerWaalsContact O-N 3.16Å
96	W	24.1	Very low	25.4	Very low	220 Å²	220	148.8 Å²	148.8	83%	0.833	74%	0.735	S	S	*	*			trans	-57.7	127.2	177.1	-80.5	66.3	0	0	0	112.1
97	P	23.7	Very low	25.3	Very low	118 Å²	118	149 Å²	149	77%	0.766	72%	0.721	S	S	*	*			trans	-83.8	118.8	165.2	19.4	-7.4	0	0	0	110.5
98	I	23.7	Very low	25.5	Very low	165 Å²	165	149.9 Å²	149.9	85%	0.846	72%	0.715	S	S	*	*			trans	-85.4	95.9	170.9	-58.7	165	0	0	0	107.9
99	S	24.1	Very low	25.7	Very low	110 Å²	110	150.1 Å²	150.1	77%	0.769	71%	0.709	S	S	*	*			trans	177.4	131.1	156	53.4	0	0	0	0	113.5
100	S	26.6	Very low	25.9	Very low	92 Å²	92	143.8 Å²	143.8	64%	0.643	69%	0.69	S	S	*	*	S	Bend	trans	172.7	-8.4	145	63.2	0	0	0	0	114.2
101	K	29.2	Very low	26	Very low	172 Å²	172	136.2 Å²	136.2	75%	0.748	66%	0.664	S	S	*	*	S	Bend	trans	-83.1	-10.7	178.7	-75.4	-176.3	177.9	179.1	0	115.4	Y105	K101-Y105 WeakPolarHBondContact O-CD2 3.3Å
102	Q	32.1	Very low	26.4	Very low	139 Å²	139	131.1 Å²	131.1	65%	0.65	64%	0.643	S	S	*	*	S	Bend	trans	-88.4	-19.2	-168	-83.5	179.2	-14.6	0	0	115.7	Q106	Q102-Q106 WeakPolarHBondContact O-CG 3.15Å
103	S	26.9	Very low	26.8	Very low	37 Å²	37	126 Å²	126	26%	0.259	63%	0.633	S	S	.	*	S	Bend	trans	-86.4	-31.1	178.6	52.7	0	0	0	0	113.3	Y105 Q106 Q172	S103-Y105 VanDerWaalsContact C-N 3.3Å; S103-Y105 PolarHBondContact O-N 3.49Å; S103-Q106 PolarHBondContact O-N 3.26Å; S103-Q172 PolarHBondContact OG-OE1 2.77Å
104	K	27.5	Very low	27	Very low	100 Å²	100	122.5 Å²	122.5	44%	0.435	62%	0.618	S	S	.	*	H	α-helix	trans	-65.3	-26.1	-174.5	-128.7	169.7	-178.6	169.1	0	114.6	L182	K104-L182 VanDerWaalsContact CE-CD1 3.48Å; K104-L182 HydrophobicContact CG-CD1 4.4Å
105	Y	29.8	Very low	27.4	Very low	172 Å²	172	118.2 Å²	118.2	68%	0.675	60%	0.6	S	S	*	*	H	α-helix	trans	-97.1	-20.8	-177.3	-66.7	-79.9	0	0	0	114	K101 S103	K101-Y105 WeakPolarHBondContact O-CD2 3.3Å; S103-Y105 VanDerWaalsContact C-N 3.3Å; S103-Y105 PolarHBondContact O-N 3.49Å
106	Q	29	Very low	27.8	Very low	156 Å²	156	112.6 Å²	112.6	73%	0.729	58%	0.582	S	S	*	*	H	α-helix	trans	-78	-37.9	-179.9	-69	-96.3	-21.7	0	0	111.6	Q102 S103	Q102-Q106 WeakPolarHBondContact O-CG 3.15Å; S103-Q106 PolarHBondContact O-N 3.26Å
107	L	26.5	Very low	28	Very low	109 Å²	109	105.7 Å²	105.7	57%	0.571	57%	0.568	S	S	*	*	H	α-helix	trans	-72.7	-36.6	177.3	-91.3	151.4	0	0	0	112.8	G110 I111	L107-G110 PolarHBondContact O-N 2.76Å; L107-I111 WeakPolarHBondContact O-CD1 3.23Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 3.38Å
108	K	27.6	Very low	28.2	Very low	136 Å²	136	104.2 Å²	104.2	59%	0.591	55%	0.553	S	S	*	*	H	α-helix	trans	-65.6	-46.4	-177.2	-170.2	155	-179.5	171.3	0	112.2	G110 I111 D112	K108-G110 VanDerWaalsContact C-N 3.33Å; K108-G110 PolarHBondContact O-N 3.45Å; K108-I111 PolarHBondContact O-N 3.17Å; K108-D112 WeakPolarHBondContact CG-OD2 3.27Å; K108-D112 PolarHBondContact O-N 3Å; K108-D112 VanDerWaalsContact O-OD2 3.05Å
109	F	29.9	Very low	28.5	Very low	141 Å²	141	102.8 Å²	102.8	62%	0.618	55%	0.547	S	S	*	.	H	α-helix	trans	-66.9	-30.9	178	-113.4	-88.5	0	0	0	113.9	T113	F109-T113 WeakPolarHBondContact O-CB 3.32Å; F109-T113 PolarHBondContact O-N 3.31Å; F109-T113 PolarHBondContact O-OG1 2.99Å
110	G	26.4	Very low	28.8	Very low	36 Å²	36	102.6 Å²	102.6	37%	0.371	54%	0.541	S	S	.	.	H	α-helix	trans	-69.4	-38.3	176.2	0	0	0	0	0	112.7	L107 K108 I114	L107-G110 PolarHBondContact O-N 2.76Å; K108-G110 VanDerWaalsContact C-N 3.33Å; K108-G110 PolarHBondContact O-N 3.45Å; G110-I114 VanDerWaalsContact O-CD1 3.24Å; G110-I114 WeakPolarHBondContact O-CD1 3.46Å; G110-I114 WeakPolarHBondContact O-CG1 3.32Å; G110-I114 PolarHBondContact O-N 2.95Å
111	I	28.4	Very low	28.8	Very low	79 Å²	79	104.4 Å²	104.4	41%	0.405	54%	0.544	S	S	.	.	H	α-helix	trans	-75.2	-42.1	179.9	-66.5	166.8	0	0	0	110.8	L107 K108 T113 I114 L115	L107-I111 WeakPolarHBondContact O-CD1 3.23Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 3.38Å; K108-I111 PolarHBondContact O-N 3.17Å; I111-T113 VanDerWaalsContact C-N 3.33Å; I111-T113 PolarHBondContact O-N 3.17Å; I111-I114 PolarHBondContact O-N 3.41Å; I111-L115 HydrophobicContact CG2-CD1 3.6Å; I111-L115 HydrophobicContact CG2-CG 4.25Å; I111-L115 WeakPolarHBondContact O-CB 3.34Å; I111-L115 WeakPolarHBondContact O-CG 3.45Å; I111-L115 PolarHBondContact O-N 3.28Å
112	D	29.7	Very low	28.8	Very low	75 Å²	75	105.2 Å²	105.2	40%	0.401	55%	0.55	S	S	.	*	H	α-helix	trans	-67.9	-32.9	-179.1	-62.1	-23.6	0	0	0	112.3	K108 G116	K108-D112 WeakPolarHBondContact CG-OD2 3.27Å; K108-D112 PolarHBondContact O-N 3Å; K108-D112 VanDerWaalsContact O-OD2 3.05Å; D112-G116 PolarHBondContact O-N 3.47Å
113	T	30.7	Very low	28.6	Very low	93 Å²	93	106.8 Å²	106.8	57%	0.571	56%	0.557	S	S	*	*	H	α-helix	trans	-71.8	-33.8	175.4	-51.1	0	0	0	0	111.8	F109 I111 S117	F109-T113 WeakPolarHBondContact O-CB 3.32Å; F109-T113 PolarHBondContact O-N 3.31Å; F109-T113 PolarHBondContact O-OG1 2.99Å; I111-T113 VanDerWaalsContact C-N 3.33Å; I111-T113 PolarHBondContact O-N 3.17Å; T113-S117 PolarHBondContact O-N 2.82Å; T113-S117 PolarHBondContact O-OG 3.27Å
114	I	27.6	Very low	28.6	Very low	81 Å²	81	112 Å²	112	42%	0.415	58%	0.582	S	S	.	*	H	α-helix	trans	-75.7	-41.7	177.7	-67.8	167.5	0	0	0	110.6	G110 I111 S117 L118	G110-I114 VanDerWaalsContact O-CD1 3.24Å; G110-I114 WeakPolarHBondContact O-CD1 3.46Å; G110-I114 WeakPolarHBondContact O-CG1 3.32Å; G110-I114 PolarHBondContact O-N 2.95Å; I111-I114 PolarHBondContact O-N 3.41Å; I114-S117 WeakPolarHBondContact CA-OG 3.46Å; I114-S117 PolarHBondContact O-N 3.2Å; I114-S117 PolarHBondContact O-OG 2.71Å; I114-L118 HydrophobicContact CG2-CD1 3.97Å; I114-L118 WeakPolarHBondContact O-CD1 3.32Å; I114-L118 WeakPolarHBondContact O-CG 3.29Å; I114-L118 PolarHBondContact O-N 2.97Å
115	L	30.4	Very low	28.4	Very low	87 Å²	87	116.3 Å²	116.3	46%	0.455	61%	0.608	S	S	.	*	H	α-helix	trans	-67.5	-36.8	175.9	-71.5	170	0	0	0	112.2	I111 S117 L118 N119	I111-L115 HydrophobicContact CG2-CD1 3.6Å; I111-L115 HydrophobicContact CG2-CG 4.25Å; I111-L115 WeakPolarHBondContact O-CB 3.34Å; I111-L115 WeakPolarHBondContact O-CG 3.45Å; I111-L115 PolarHBondContact O-N 3.28Å; L115-S117 VanDerWaalsContact C-N 3.27Å; L115-S117 PolarHBondContact O-N 3.38Å; L115-L118 PolarHBondContact O-N 2.94Å; L115-L118 VanDerWaalsContact O-N 3.15Å; L115-N119 PolarHBondContact O-N 2.86Å; L115-N119 VanDerWaalsContact O-N 3.07Å
116	G	29.4	Very low	28.4	Very low	46 Å²	46	114 Å²	114	47%	0.474	60%	0.602	S	S	.	*	H	α-helix	trans	-64	-28.8	174.1	0	0	0	0	0	114	D112	D112-G116 PolarHBondContact O-N 3.47Å
117	S	28.5	Very low	28.2	Very low	76 Å²	76	114.2 Å²	114.2	53%	0.531	60%	0.6	S	S	.	*	H	α-helix	trans	-86	-12.8	173.4	40	0	0	0	0	114.7	T113 I114 L115 T120	T113-S117 PolarHBondContact O-N 2.82Å; T113-S117 PolarHBondContact O-OG 3.27Å; I114-S117 WeakPolarHBondContact CA-OG 3.46Å; I114-S117 PolarHBondContact O-N 3.2Å; I114-S117 PolarHBondContact O-OG 2.71Å; L115-S117 VanDerWaalsContact C-N 3.27Å; L115-S117 PolarHBondContact O-N 3.38Å; S117-T120 PolarHBondContact O-OG1 2.83Å
118	L	28.2	Very low	28.2	Very low	87 Å²	87	114.4 Å²	114.4	46%	0.455	61%	0.608	S	S	.	*	H	α-helix	trans	-92.2	-29.6	176.2	-75.7	162.1	0	0	0	112	I114 L115 T120	I114-L118 HydrophobicContact CG2-CD1 3.97Å; I114-L118 WeakPolarHBondContact O-CD1 3.32Å; I114-L118 WeakPolarHBondContact O-CG 3.29Å; I114-L118 PolarHBondContact O-N 2.97Å; L115-L118 PolarHBondContact O-N 2.94Å; L115-L118 VanDerWaalsContact O-N 3.15Å; L118-T120 PolarHBondContact O-N 3.37Å
119	N	30.6	Very low	28.3	Very low	134 Å²	134	111.4 Å²	111.4	72%	0.717	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	2	179	-84.1	-9.9	0	0	0	114.9	L115	L115-N119 PolarHBondContact O-N 2.86Å; L115-N119 VanDerWaalsContact O-N 3.07Å
120	T	29.7	Very low	28.2	Very low	107 Å²	107	109 Å²	109	66%	0.656	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	3.3	178.5	51	0	0	0	0	114.2	S117 L118	S117-T120 PolarHBondContact O-OG1 2.83Å; L118-T120 PolarHBondContact O-N 3.37Å
121	N	27.9	Very low	28.4	Very low	130 Å²	130	110.6 Å²	110.6	70%	0.695	60%	0.597	S	S	*	*			trans	-123	66.7	178.9	-68.4	-33	0	0	0	111.2	H123	N121-H123 PolarHBondContact O-N 3.43Å
122	E	28.5	Very low	28.5	Very low	188 Å²	188	110.6 Å²	110.6	88%	0.879	60%	0.601	S	S	*	*			trans	-72.2	0.2	173.7	-96.7	-174.1	157.1	0	0	114.2
123	H	28.6	Very low	28.7	Very low	173 Å²	173	111.6 Å²	111.6	80%	0.801	61%	0.606	S	S	*	*	S	Bend	trans	-116.3	97.7	170.3	-84.5	-73.1	0	0	0	109.4	N121	N121-H123 PolarHBondContact O-N 3.43Å
124	L	26.2	Very low	28.8	Very low	147 Å²	147	111.1 Å²	111.1	77%	0.77	60%	0.6	S	S	*	*			trans	161.8	98.8	144.2	-84.8	162.4	0	0	0	108	K126	L124-K126 PolarHBondContact O-N 3.17Å
125	L	24.1	Very low	29	Very low	189 Å²	189	110.1 Å²	110.1	99%	0.99	60%	0.596	S	S	*	*			trans	-48.8	102.6	165.8	-76.6	151.1	0	0	0	109.7
126	K	28.4	Very low	29.2	Very low	125 Å²	125	112.2 Å²	112.2	54%	0.543	60%	0.601	S	S	.	*			trans	-126.3	131.3	171	-78.4	-173	168.4	-167.2	0	110	L124 E130	L124-K126 PolarHBondContact O-N 3.17Å; K126-E130 WeakPolarHBondContact CB-OE2 3.44Å; K126-E130 VanDerWaalsContact CD-OE2 3.27Å; K126-E130 WeakPolarHBondContact CD-OE2 3.45Å; K126-E130 VanDerWaalsContact CG-OE2 3.3Å; K126-E130 WeakPolarHBondContact CG-OE2 3.35Å
127	K	24.9	Very low	29.5	Very low	160 Å²	160	116.4 Å²	116.4	70%	0.696	61%	0.606	S	S	*	*			trans	-57.2	149.4	-173.8	-75.3	178.3	176.6	177.5	0	111.2	S129 E130	K127-S129 PolarHBondContact O-N 2.66Å; K127-E130 PolarHBondContact O-N 2.87Å
128	P	25.9	Very low	29.5	Very low	112 Å²	112	117.9 Å²	117.9	73%	0.727	61%	0.608	S	S	*	*	H	α-helix	trans	-53	-22.2	179.1	-25.2	32.2	0	0	0	115.2	T132	P128-T132 PolarHBondContact O-OG1 3.05Å
129	S	29.5	Very low	29.6	Very low	74 Å²	74	120.1 Å²	120.1	52%	0.517	61%	0.614	S	S	.	*	H	α-helix	trans	-76.1	-18.8	177.7	56.6	0	0	0	0	115	K127 T132	K127-S129 PolarHBondContact O-N 2.66Å; S129-T132 PolarHBondContact O-OG1 3Å; S129-T132 VanDerWaalsContact O-OG1 3.07Å
130	E	29.4	Very low	29.6	Very low	91 Å²	91	119.3 Å²	119.3	43%	0.425	61%	0.606	S	S	.	*	H	α-helix	trans	-87.2	-35.2	176.8	-73.3	-177.4	165.2	0	0	111.5	K126 K127 T132 N133 D134	K126-E130 WeakPolarHBondContact CB-OE2 3.44Å; K126-E130 VanDerWaalsContact CD-OE2 3.27Å; K126-E130 WeakPolarHBondContact CD-OE2 3.45Å; K126-E130 VanDerWaalsContact CG-OE2 3.3Å; K126-E130 WeakPolarHBondContact CG-OE2 3.35Å; K127-E130 PolarHBondContact O-N 2.87Å; E130-T132 VanDerWaalsContact C-N 3.28Å; E130-T132 PolarHBondContact O-N 3.36Å; E130-N133 PolarHBondContact O-N 3.36Å; E130-N133 VanDerWaalsContact O-N 3.16Å; E130-D134 PolarHBondContact O-N 3.48Å
131	V	30.9	Very low	29.7	Very low	68 Å²	68	119.6 Å²	119.6	41%	0.412	61%	0.607	S	S	.	*	H	α-helix	trans	-62	-36.7	177.1	-177.2	0	0	0	0	111.4	L135	V131-L135 HydrophobicContact CG1-CD1 3.98Å; V131-L135 WeakPolarHBondContact O-CB 3.4Å; V131-L135 WeakPolarHBondContact O-CD1 3.14Å; V131-L135 VanDerWaalsContact O-CG 3.24Å; V131-L135 WeakPolarHBondContact O-CG 3.47Å; V131-L135 PolarHBondContact O-N 3.47Å
132	T	30.6	Very low	29.7	Very low	80 Å²	80	120.4 Å²	120.4	49%	0.491	60%	0.604	S	S	.	*	H	α-helix	trans	-69	-32.5	176.9	42.9	0	0	0	0	113	P128 S129 E130 K136	P128-T132 PolarHBondContact O-OG1 3.05Å; S129-T132 PolarHBondContact O-OG1 3Å; S129-T132 VanDerWaalsContact O-OG1 3.07Å; E130-T132 VanDerWaalsContact C-N 3.28Å; E130-T132 PolarHBondContact O-N 3.36Å; T132-K136 WeakPolarHBondContact O-CB 3.43Å; T132-K136 PolarHBondContact O-N 3.46Å
133	N	33.7	Very low	29.8	Very low	95 Å²	95	115.6 Å²	115.6	51%	0.508	59%	0.588	S	S	.	*	H	α-helix	trans	-76.3	-37.3	175.5	-84.7	-20.3	0	0	0	112.6	E130 K136 K137	E130-N133 PolarHBondContact O-N 3.36Å; E130-N133 VanDerWaalsContact O-N 3.16Å; N133-K136 PolarHBondContact O-N 3.3Å; N133-K137 PolarHBondContact O-N 2.71Å
134	D	31.8	Very low	29.7	Very low	84 Å²	84	114.1 Å²	114.1	45%	0.449	59%	0.586	S	S	.	*	H	α-helix	trans	-68.9	-37.4	175.6	-74	-19.9	0	0	0	111.4	E130 L138	E130-D134 PolarHBondContact O-N 3.48Å; D134-L138 WeakPolarHBondContact O-CB 3.23Å; D134-L138 WeakPolarHBondContact O-CD1 3.48Å; D134-L138 WeakPolarHBondContact O-CG 3.28Å; D134-L138 PolarHBondContact O-N 2.77Å
135	L	31.9	Very low	29.8	Very low	60 Å²	60	115.8 Å²	115.8	31%	0.314	59%	0.59	S	S	.	*	H	α-helix	trans	-65.1	-43.8	169.8	-73.8	168.6	0	0	0	111.5	V131 K137 L138 F139	V131-L135 HydrophobicContact CG1-CD1 3.98Å; V131-L135 WeakPolarHBondContact O-CB 3.4Å; V131-L135 WeakPolarHBondContact O-CD1 3.14Å; V131-L135 VanDerWaalsContact O-CG 3.24Å; V131-L135 WeakPolarHBondContact O-CG 3.47Å; V131-L135 PolarHBondContact O-N 3.47Å; L135-K137 PolarHBondContact O-N 2.97Å; L135-L138 PolarHBondContact O-N 2.74Å; L135-F139 VanDerWaalsContact O-CD2 3.22Å; L135-F139 WeakPolarHBondContact O-CD2 3.49Å; L135-F139 PolarHBondContact O-N 2.93Å
136	K	33.6	Very low	29.8	Very low	131 Å²	131	112.5 Å²	112.5	57%	0.57	57%	0.573	S	S	*	*	H	α-helix	trans	-58.1	-45.4	175.7	-123.5	178.3	176.6	-175.8	0	112.3	T132 N133 F139 E140	T132-K136 WeakPolarHBondContact O-CB 3.43Å; T132-K136 PolarHBondContact O-N 3.46Å; N133-K136 PolarHBondContact O-N 3.3Å; K136-F139 PolarHBondContact O-N 3.2Å; K136-E140 WeakPolarHBondContact O-CB 3.17Å; K136-E140 WeakPolarHBondContact O-CG 3.38Å; K136-E140 PolarHBondContact O-N 3.15Å
137	K	35.7	Very low	29.4	Very low	133 Å²	133	112.9 Å²	112.9	58%	0.578	59%	0.591	S	S	*	*	H	α-helix	trans	-64.8	-39.2	175.7	-78.1	178.3	177.4	176	0	112.7	N133 L135 F139 V141	N133-K137 PolarHBondContact O-N 2.71Å; L135-K137 PolarHBondContact O-N 2.97Å; K137-F139 VanDerWaalsContact C-N 3.29Å; K137-F139 PolarHBondContact O-N 3.01Å; K137-V141 WeakPolarHBondContact O-CB 3.39Å; K137-V141 WeakPolarHBondContact O-CG2 3.3Å; K137-V141 PolarHBondContact O-N 3.3Å; K137-V141 VanDerWaalsContact O-N 3.07Å
138	L	30.2	Very low	29.5	Very low	108 Å²	108	109.9 Å²	109.9	57%	0.565	59%	0.586	S	S	*	*	H	α-helix	trans	-66.9	-29.5	176.6	-87.4	159.5	0	0	0	113	D134 L135	D134-L138 WeakPolarHBondContact O-CB 3.23Å; D134-L138 WeakPolarHBondContact O-CD1 3.48Å; D134-L138 WeakPolarHBondContact O-CG 3.28Å; D134-L138 PolarHBondContact O-N 2.77Å; L135-L138 PolarHBondContact O-N 2.74Å
139	F	29.6	Very low	29.4	Very low	134 Å²	134	113.8 Å²	113.8	59%	0.588	59%	0.591	S	S	*	*	H	α-helix	trans	-83.3	-39.2	175.1	-83.8	-76	0	0	0	112.6	L135 K136 K137 K142 T143	L135-F139 VanDerWaalsContact O-CD2 3.22Å; L135-F139 WeakPolarHBondContact O-CD2 3.49Å; L135-F139 PolarHBondContact O-N 2.93Å; K136-F139 PolarHBondContact O-N 3.2Å; K137-F139 VanDerWaalsContact C-N 3.29Å; K137-F139 PolarHBondContact O-N 3.01Å; F139-K142 PolarHBondContact O-N 3.5Å; F139-T143 WeakPolarHBondContact O-CG2 3.2Å; F139-T143 PolarHBondContact O-N 3.44Å
140	E	31.2	Very low	29.1	Very low	116 Å²	116	117.6 Å²	117.6	54%	0.542	61%	0.606	S	S	.	*	H	α-helix	trans	-66.3	-34.4	176.1	-79.4	172.5	172.2	0	0	113	K136 K142 T143	K136-E140 WeakPolarHBondContact O-CB 3.17Å; K136-E140 WeakPolarHBondContact O-CG 3.38Å; K136-E140 PolarHBondContact O-N 3.15Å; E140-K142 PolarHBondContact O-N 3.17Å; E140-T143 PolarHBondContact O-OG1 3.38Å
141	V	30.2	Very low	29	Very low	113 Å²	113	118.4 Å²	118.4	69%	0.685	62%	0.617	S	S	*	*	H	α-helix	trans	-71.6	-18.5	178	172.9	0	0	0	0	112.5	K137	K137-V141 WeakPolarHBondContact O-CB 3.39Å; K137-V141 WeakPolarHBondContact O-CG2 3.3Å; K137-V141 PolarHBondContact O-N 3.3Å; K137-V141 VanDerWaalsContact O-N 3.07Å
142	K	29.3	Very low	28.6	Very low	147 Å²	147	120.5 Å²	120.5	64%	0.639	63%	0.63	S	S	*	*	H	α-helix	trans	-98.6	-12.1	-179.3	-81.4	-175.5	176.1	178.3	0	114.2	F139 E140	F139-K142 PolarHBondContact O-N 3.5Å; E140-K142 PolarHBondContact O-N 3.17Å
143	T	30.4	Very low	28.5	Very low	87 Å²	87	121.2 Å²	121.2	53%	0.534	64%	0.638	S	S	.	*	H	α-helix	trans	-77.2	-22.9	-179.9	42.1	0	0	0	0	113.5	F139 E140 Q145	F139-T143 WeakPolarHBondContact O-CG2 3.2Å; F139-T143 PolarHBondContact O-N 3.44Å; E140-T143 PolarHBondContact O-OG1 3.38Å; T143-Q145 VanDerWaalsContact C-N 3.31Å; T143-Q145 PolarHBondContact O-N 2.96Å
144	D	26.3	Very low	28	Very low	143 Å²	143	122 Å²	122	77%	0.765	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-6.2	-175.7	-66.5	-12.1	0	0	0	114.3
145	Q	27.1	Very low	27.7	Very low	182 Å²	182	125.5 Å²	125.5	85%	0.85	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	6.5	179.8	-63.9	-148.5	1.3	0	0	114.5	T143	T143-Q145 VanDerWaalsContact C-N 3.31Å; T143-Q145 PolarHBondContact O-N 2.96Å
146	L	24.9	Very low	27.4	Very low	120 Å²	120	126.2 Å²	126.2	63%	0.628	66%	0.663	S	S	*	*			trans	-117.3	98	178.6	-82.1	155	0	0	0	109	V148	L146-V148 HydrophobicContact CB-CG2 4.15Å; L146-V148 HydrophobicContact CD2-CG2 3.92Å; L146-V148 PolarHBondContact O-N 3.26Å
147	S	20.9	Very low	27	Very low	132 Å²	132	125 Å²	125	92%	0.923	68%	0.678	S	S	*	*			trans	-65.8	75.5	160	66.1	0	0	0	0	108.9
148	V	26.6	Very low	26.5	Very low	97 Å²	97	123 Å²	123	59%	0.588	68%	0.676	S	S	*	*			trans	-126.5	114.7	174.6	-177.6	0	0	0	0	107.5	L146 N150	L146-V148 HydrophobicContact CB-CG2 4.15Å; L146-V148 HydrophobicContact CD2-CG2 3.92Å; L146-V148 PolarHBondContact O-N 3.26Å; V148-N150 PolarHBondContact O-N 3.47Å
149	K	23	Very low	26.2	Very low	194 Å²	194	125.4 Å²	125.4	84%	0.843	69%	0.685	S	S	*	*			trans	-47.6	125.1	175.1	-67.1	175	173.7	-178.8	0	110.8
150	N	23.7	Very low	26.1	Very low	155 Å²	155	125.7 Å²	125.7	83%	0.829	70%	0.7	S	S	*	*			trans	38.6	84.3	154.9	-62.3	-0.7	0	0	0	117.8	V148	V148-N150 PolarHBondContact O-N 3.47Å
151	T	26.7	Very low	25.9	Very low	107 Å²	107	128.9 Å²	128.9	66%	0.656	72%	0.715	S	S	*	*			trans	-133	98	155.9	42.9	0	0	0	0	109.6
152	T	24.2	Very low	25.8	Very low	113 Å²	113	126 Å²	126	69%	0.693	70%	0.7	S	S	*	*			trans	-83.6	114.6	172	45.3	0	0	0	0	109.5
153	C	26.6	Very low	25.6	Very low	95 Å²	95	124 Å²	124	64%	0.642	70%	0.696	S	S	*	*			trans	-88	121.1	167.9	-69.9	0	0	0	0	109
154	I	23.9	Very low	25.5	Very low	112 Å²	112	124 Å²	124	57%	0.574	70%	0.699	S	S	*	*			trans	-102.2	123.7	173.3	-56.6	175.4	0	0	0	107.6	T156	I154-T156 HydrophobicContact CG2-CG2 4.05Å
155	M	25.9	Very low	25.5	Very low	156 Å²	156	122.8 Å²	122.8	77%	0.768	70%	0.697	S	S	*	*			trans	-102.7	111.6	169.9	-67	179.1	66.7	0	0	108.5
156	T	26	Very low	25.6	Very low	75 Å²	75	117 Å²	117	46%	0.46	67%	0.671	S	S	.	*			trans	-100.7	120.3	171.2	51	0	0	0	0	109.3	I154	I154-T156 HydrophobicContact CG2-CG2 4.05Å
157	A	24	Very low	25.8	Very low	107 Å²	107	117.9 Å²	117.9	88%	0.884	68%	0.675	S	S	*	*			trans	-81.5	114.5	170.7	0	0	0	0	0	108.7
158	T	25.9	Very low	26.1	Very low	89 Å²	89	117.3 Å²	117.3	55%	0.546	65%	0.654	S	S	.	*			trans	-131.7	117.9	173.5	51.8	0	0	0	0	110.4	S162	T158-S162 PolarHBondContact O-OG 3.14Å
159	E	24.4	Very low	26.1	Very low	159 Å²	159	116 Å²	116	74%	0.743	65%	0.649	S	S	*	*			trans	75.3	124.7	160.3	-56.4	-167.1	171.2	0	0	119.9	E161 S162	E159-E161 PolarHBondContact O-N 2.92Å; E159-S162 PolarHBondContact O-N 3.12Å; E159-S162 PolarHBondContact O-OG 3.14Å
160	P	27.5	Very low	26.5	Very low	140 Å²	140	113.4 Å²	113.4	91%	0.909	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-2.6	-170.7	29.4	-34.5	0	0	0	115
161	E	26.4	Very low	26.8	Very low	184 Å²	184	114.3 Å²	114.3	86%	0.86	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	-1.3	-179.9	-60.7	-168.1	168.3	0	0	113.4	E159	E159-E161 PolarHBondContact O-N 2.92Å
162	S	27.2	Very low	27	Very low	52 Å²	52	114.4 Å²	114.4	36%	0.364	64%	0.636	S	S	.	*			trans	-102.4	116.2	-178.8	82.7	0	0	0	0	110.9	T158 E159 C164	T158-S162 PolarHBondContact O-OG 3.14Å; E159-S162 PolarHBondContact O-N 3.12Å; E159-S162 PolarHBondContact O-OG 3.14Å; S162-C164 PolarHBondContact O-N 3.49Å
163	N	27.1	Very low	27.3	Very low	105 Å²	105	118.2 Å²	118.2	56%	0.561	64%	0.643	S	S	*	*			trans	-80.8	35.9	-175.5	-74.1	-56.2	0	0	0	113.6	R178	N163-R178 PolarHBondContact ND2-NH1 2.86Å; N163-R178 PolarHBondContact ND2-NH2 3.31Å; N163-R178 VanDerWaalsContact ND2-NH2 3.13Å; N163-R178 PolarHBondContact OD1-NH2 2.84Å
164	C	26.5	Very low	27.5	Very low	88 Å²	88	117 Å²	117	60%	0.595	64%	0.636	S	S	*	*			trans	-121.6	118.4	-167	-59.2	0	0	0	0	110.7	S162	S162-C164 PolarHBondContact O-N 3.49Å
165	V	26.6	Very low	27.8	Very low	117 Å²	117	115.5 Å²	115.5	71%	0.709	63%	0.632	S	S	*	*			trans	-97.6	111	167.2	179	0	0	0	0	107.8	I167	V165-I167 HydrophobicContact CG1-CG1 4.31Å
166	N	29.8	Very low	27.9	Very low	60 Å²	60	113.2 Å²	113.2	32%	0.321	62%	0.622	S	S	.	*			trans	-86.4	115.6	176.5	-69.3	-30.1	0	0	0	110	Y168	N166-Y168 HydrophobicContact CB-CD2 4.35Å; N166-Y168 HydrophobicContact CB-CE2 3.56Å; N166-Y168 PolarHBondContact ND2-OH 3.32Å
167	I	28.2	Very low	28.1	Very low	138 Å²	138	112.8 Å²	112.8	71%	0.708	62%	0.617	S	S	*	*			trans	-103.8	111.3	171.1	-56.8	176	0	0	0	107.7	V165	V165-I167 HydrophobicContact CG1-CG1 4.31Å
168	Y	27.9	Very low	28.4	Very low	120 Å²	120	117.5 Å²	117.5	47%	0.471	61%	0.612	S	S	.	*			trans	-93.6	119.9	176	-59.7	-82.8	0	0	0	109.7	N166	N166-Y168 HydrophobicContact CB-CD2 4.35Å; N166-Y168 HydrophobicContact CB-CE2 3.56Å; N166-Y168 PolarHBondContact ND2-OH 3.32Å
169	S	27.5	Very low	28.5	Very low	70 Å²	70	119 Å²	119	49%	0.49	62%	0.617	S	S	.	*			trans	-117.4	144.5	163.9	86.1	0	0	0	0	109.1	E171	S169-E171 PolarHBondContact O-N 3.34Å
170	N	29.7	Very low	28.8	Very low	140 Å²	140	113.8 Å²	113.8	75%	0.749	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	1.7	-172.7	-95.2	-10	0	0	0	115.8
171	E	30.2	Very low	28.9	Very low	174 Å²	174	109.3 Å²	109.3	81%	0.813	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.8	0.6	-171.8	-66.1	-167.5	161.9	0	0	116.7	S169	S169-E171 PolarHBondContact O-N 3.34Å
172	Q	32.2	Very low	29.1	Very low	108 Å²	108	104.3 Å²	104.3	51%	0.505	56%	0.556	S	S	.	*			trans	-170.4	125.9	172.2	-107.6	150.7	42	0	0	112.5	S103	S103-Q172 PolarHBondContact OG-OE1 2.77Å
173	K	29.6	Very low	29.2	Very low	193 Å²	193	105.8 Å²	105.8	84%	0.839	56%	0.559	S	S	*	*			trans	-81.4	114.7	169.4	-72.8	-179.1	178.7	178.9	0	109.1
174	S	31.4	Very low	29.3	Very low	71 Å²	71	106.3 Å²	106.3	50%	0.497	56%	0.562	S	S	.	*			trans	-132.8	119.1	167.8	53.4	0	0	0	0	109.6
175	V	29.4	Very low	29.5	Very low	79 Å²	79	106.7 Å²	106.7	48%	0.479	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.3	129.2	173.1	-177.9	0	0	0	0	107.9
176	L	29.4	Very low	29.5	Very low	109 Å²	109	108.1 Å²	108.1	57%	0.571	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.1	128.5	177.2	-87.8	151.8	0	0	0	109.3	L182	L176-L182 HydrophobicContact CD2-CD2 4.48Å
177	N	29.3	Very low	29.4	Very low	66 Å²	66	111.4 Å²	111.4	35%	0.353	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-79.3	161	166	-78.5	-21.2	0	0	0	111	D179 G180 S181 I183	N177-D179 WeakPolarHBondContact CB-OD1 3.43Å; N177-D179 PolarHBondContact O-N 3.46Å; N177-D179 VanDerWaalsContact O-N 3.08Å; N177-G180 PolarHBondContact O-N 2.74Å; N177-S181 WeakPolarHBondContact CB-OG 3.43Å; N177-S181 PolarHBondContact N-O 2.97Å; N177-S181 VanDerWaalsContact N-O 3.14Å; N177-S181 PolarHBondContact ND2-OG 3.33Å; N177-S181 VanDerWaalsContact ND2-OG 3.11Å; N177-I183 WeakPolarHBondContact ND2-CG1 3.24Å; N177-I183 WeakPolarHBondContact OD1-CD1 3.38Å
178	R	29.9	Very low	29.3	Very low	206 Å²	206	109.9 Å²	109.9	78%	0.777	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-15.5	176.7	-95.6	-179.1	165.5	-174.1	-8.8	115.2	N163	N163-R178 PolarHBondContact ND2-NH1 2.86Å; N163-R178 PolarHBondContact ND2-NH2 3.31Å; N163-R178 VanDerWaalsContact ND2-NH2 3.13Å; N163-R178 PolarHBondContact OD1-NH2 2.84Å
179	D	29.3	Very low	29.3	Very low	120 Å²	120	110.5 Å²	110.5	64%	0.642	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	7.1	179.6	59.6	-5.1	0	0	0	113.1	N177 S181	N177-D179 WeakPolarHBondContact CB-OD1 3.43Å; N177-D179 PolarHBondContact O-N 3.46Å; N177-D179 VanDerWaalsContact O-N 3.08Å; D179-S181 VanDerWaalsContact CG-OG 3.23Å; D179-S181 PolarHBondContact O-N 2.81Å; D179-S181 VanDerWaalsContact OD1-CB 3.3Å; D179-S181 WeakPolarHBondContact OD1-CB 3.5Å; D179-S181 PolarHBondContact OD1-N 3.49Å; D179-S181 PolarHBondContact OD1-OG 3.3Å; D179-S181 PolarHBondContact OD2-OG 3.16Å
180	G	30	Very low	29.3	Very low	50 Å²	50	112.4 Å²	112.4	52%	0.515	62%	0.616	S	S	.	*	S	Bend	trans	72.7	8.6	-176.3	0	0	0	0	0	113.8	N177	N177-G180 PolarHBondContact O-N 2.74Å
181	S	29.4	Very low	29.4	Very low	45 Å²	45	113.6 Å²	113.6	32%	0.315	62%	0.617	S	S	.	*			trans	-77.8	135.8	173	70.4	0	0	0	0	110.9	N177 D179	N177-S181 WeakPolarHBondContact CB-OG 3.43Å; N177-S181 PolarHBondContact N-O 2.97Å; N177-S181 VanDerWaalsContact N-O 3.14Å; N177-S181 PolarHBondContact ND2-OG 3.33Å; N177-S181 VanDerWaalsContact ND2-OG 3.11Å; D179-S181 VanDerWaalsContact CG-OG 3.23Å; D179-S181 PolarHBondContact O-N 2.81Å; D179-S181 VanDerWaalsContact OD1-CB 3.3Å; D179-S181 WeakPolarHBondContact OD1-CB 3.5Å; D179-S181 PolarHBondContact OD1-N 3.49Å; D179-S181 PolarHBondContact OD1-OG 3.3Å; D179-S181 PolarHBondContact OD2-OG 3.16Å
182	L	29.7	Very low	29.3	Very low	79 Å²	79	112.1 Å²	112.1	41%	0.414	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92	115.2	176.9	-83.5	158.9	0	0	0	109.2	K104 L176 N184	K104-L182 VanDerWaalsContact CE-CD1 3.48Å; K104-L182 HydrophobicContact CG-CD1 4.4Å; L176-L182 HydrophobicContact CD2-CD2 4.48Å; L182-N184 PolarHBondContact O-N 3.3Å
183	I	30.3	Very low	28.9	Very low	83 Å²	83	115.9 Å²	115.9	43%	0.426	63%	0.634	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.5	111.2	167.6	-56.3	177.5	0	0	0	107.7	N177 V185	N177-I183 WeakPolarHBondContact ND2-CG1 3.24Å; N177-I183 WeakPolarHBondContact OD1-CD1 3.38Å; I183-V185 HydrophobicContact CB-CG2 4.49Å; I183-V185 HydrophobicContact CG2-CG2 3.64Å; I183-V185 PolarHBondContact O-N 2.76Å; I183-V185 VanDerWaalsContact O-N 3.1Å
184	N	29.7	Very low	28.7	Very low	116 Å²	116	115.7 Å²	115.7	62%	0.62	63%	0.633	S	S	*	*			trans	-77.9	87.9	172.3	-120.2	9.8	0	0	0	108.2	L182 N186	L182-N184 PolarHBondContact O-N 3.3Å; N184-N186 PolarHBondContact O-N 3.5Å
185	V	29.3	Very low	28.3	Very low	96 Å²	96	119 Å²	119	58%	0.582	65%	0.65	S	S	*	*			trans	-82.4	91	171.3	-175	0	0	0	0	108.1	I183 L187	I183-V185 HydrophobicContact CB-CG2 4.49Å; I183-V185 HydrophobicContact CG2-CG2 3.64Å; I183-V185 PolarHBondContact O-N 2.76Å; I183-V185 VanDerWaalsContact O-N 3.1Å; V185-L187 HydrophobicContact CG1-CD1 3.25Å; V185-L187 PolarHBondContact O-N 3.32Å
186	N	27.1	Very low	27.9	Very low	147 Å²	147	122.8 Å²	122.8	79%	0.786	67%	0.667	S	S	*	*			trans	-78.3	99.1	165.9	-86.1	-21.8	0	0	0	108.1	N184	N184-N186 PolarHBondContact O-N 3.5Å
187	L	28.6	Very low	27.6	Very low	129 Å²	129	122.5 Å²	122.5	68%	0.675	67%	0.674	S	S	*	*			trans	-107	136.5	160.8	-97.7	89	0	0	0	109.8	V185	V185-L187 HydrophobicContact CG1-CD1 3.25Å; V185-L187 PolarHBondContact O-N 3.32Å
188	P	25.6	Very low	27.3	Very low	107 Å²	107	127.4 Å²	127.4	70%	0.695	70%	0.697	S	S	*	*			trans	-71.2	140.4	-176.6	28.7	-30.5	0	0	0	111.5	S190	P188-S190 PolarHBondContact O-N 2.65Å
189	S	27.3	Very low	27	Very low	133 Å²	133	122.7 Å²	122.7	93%	0.93	69%	0.691	S	S	*	*	S	Bend	trans	-76.5	36.2	-170.3	-51.3	0	0	0	0	115.6
190	S	28.3	Very low	26.6	Very low	109 Å²	109	126.9 Å²	126.9	76%	0.762	70%	0.704	S	S	*	*	S	Bend	trans	-99.5	16.5	-179.8	60.7	0	0	0	0	115.2	P188	P188-S190 PolarHBondContact O-N 2.65Å
191	E	30.5	Very low	26.3	Very low	165 Å²	165	131.6 Å²	131.6	77%	0.771	72%	0.717	S	S	*	*	S	Bend	trans	-130.7	6.9	-170.8	-127.5	168.6	-163.7	0	0	116.7
192	I	28.8	Very low	26.1	Very low	144 Å²	144	134.9 Å²	134.9	74%	0.738	74%	0.735	S	S	*	*			trans	-133.2	69.9	-172.6	-46.2	179.5	0	0	0	112
193	M	24	Very low	25.8	Very low	187 Å²	187	139.7 Å²	139.7	92%	0.921	76%	0.755	S	S	*	*			trans	-140.9	45.3	164	-105.4	-83.5	-84.9	0	0	111.1
194	K	24.5	Very low	25.5	Very low	189 Å²	189	144.7 Å²	144.7	82%	0.822	78%	0.777	S	S	*	*			trans	-149.9	104.1	159.4	-63.4	-179	-177.3	175	0	102.8
195	T	23.5	Very low	25.2	Very low	141 Å²	141	144.5 Å²	144.5	87%	0.865	78%	0.784	S	S	*	*				-161.6	117.1	65	-11.4	0	0	0	0	107.7
196	L	22	Very low	25.2	Very low	157 Å²	157	144.7 Å²	144.7	82%	0.822	79%	0.788	S	S	*	*			trans	-59.3	148.2	149.2	-81	152.3	0	0	0	108.5
197	S	22.7	Very low	25	Very low	103 Å²	103	143 Å²	143	72%	0.72	78%	0.783	S	S	*	*			trans	44.5	113	147.8	-62.3	0	0	0	0	117.9
198	M	23	Very low	24.8	Very low	170 Å²	170	145.3 Å²	145.3	84%	0.837	79%	0.788	S	S	*	*				-169.3	102.6	125.6	-89.1	-43.6	-92.9	0	0	109.2
199	T	24	Very low	24.7	Very low	107 Å²	107	146.9 Å²	146.9	66%	0.656	79%	0.789	S	S	*	*			trans	30.7	120.2	130.5	-2.5	0	0	0	0	119	L201	T199-L201 PolarHBondContact O-N 2.87Å
200	F	21.2	Very low	24.6	Very low	208 Å²	208	146.1 Å²	146.1	91%	0.912	78%	0.784	S	S	*	*			trans	-34.9	124.2	145.1	-88.6	-102.1	0	0	0	111
201	L	23.6	Very low	24.4	Very low	149 Å²	149	145.5 Å²	145.5	78%	0.78	78%	0.78	S	S	*	*			trans	-162.1	108.6	146.5	-99	156.4	0	0	0	108	T199	T199-L201 PolarHBondContact O-N 2.87Å
202	T	23.7	Very low	24.3	Very low	114 Å²	114	147.3 Å²	147.3	70%	0.699	78%	0.781	S	S	*	*			trans	37.1	115.8	140.7	57.3	0	0	0	0	119.4
203	H	23.7	Very low	24.4	Very low	179 Å²	179	146.1 Å²	146.1	83%	0.829	78%	0.776	S	S	*	*			trans	34.2	124.4	133.9	-84.4	-79.5	0	0	0	119.5
204	Q	24.9	Very low	24.7	Very low	189 Å²	189	143.6 Å²	143.6	88%	0.883	76%	0.762	S	S	*	*			trans	114.7	119.9	152.3	-62.1	177.9	-2.9	0	0	116.8
205	S	22.9	Very low	25.1	Very low	111 Å²	111	141.7 Å²	141.7	78%	0.776	76%	0.756	S	S	*	*			trans	-65.1	-173.7	170.5	48.1	0	0	0	0	114.7
206	P	29.4	Very low	25.4	Very low	101 Å²	101	142.4 Å²	142.4	66%	0.656	75%	0.749	S	S	*	*				-131.5	-177.7	-54.1	37.9	-20.3	0	0	0	113.6
207	T	23.5	Very low	25.9	Very low	112 Å²	112	142.7 Å²	142.7	69%	0.687	75%	0.746	S	S	*	*			trans	67.8	120.3	151.5	57	0	0	0	0	122.6
208	F	23.4	Very low	26.1	Very low	177 Å²	177	142.2 Å²	142.2	78%	0.776	74%	0.743	S	S	*	*				158.1	137.1	106.3	-101	-71.5	0	0	0	115
209	L	22.9	Very low	26.3	Very low	140 Å²	140	140.1 Å²	140.1	73%	0.733	74%	0.744	S	S	*	*			trans	50.8	123.3	146.8	-77.9	147.3	0	0	0	122.2
210	S	26.8	Very low	26.4	Very low	117 Å²	117	140.3 Å²	140.3	82%	0.818	75%	0.749	S	S	*	*				169.1	142.7	91.3	70	0	0	0	0	113
211	S	24.1	Very low	27	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	74%	0.743	S	S	*	*			trans	-94.9	-177.6	-172.6	9.3	0	0	0	0	114.4
212	Y	28.8	Very low	27.6	Very low	202 Å²	202	134.4 Å²	134.4	79%	0.792	74%	0.74	S	S	*	*			trans	110.3	109.2	161.8	-79.1	-94.2	0	0	0	115.6
213	D	29	Very low	27.8	Very low	119 Å²	119	135.4 Å²	135.4	64%	0.636	75%	0.747	S	S	*	*				96.8	148.2	68.1	-104.4	-7.5	0	0	0	110.6
214	H	30.3	Very low	28	Very low	134 Å²	134	131.7 Å²	131.7	62%	0.62	74%	0.741	S	S	*	*			cis	-171	162	4.3	-141.1	-12.4	0	0	0	109.7
215	Q	33.6	Very low	28	Very low	149 Å²	149	127.8 Å²	127.8	70%	0.696	73%	0.734	S	S	*	*			trans	70.9	156.1	146.1	-71.1	169.4	10.2	0	0	122.5
216	Q	29.7	Very low	28.3	Very low	156 Å²	156	129.5 Å²	129.5	73%	0.729	73%	0.733	S	S	*	*			cis	175	170.2	-42.7	-110.4	-160.2	6	0	0	107.2
217	H	33.1	Very low	28.2	Very low	163 Å²	163	133.3 Å²	133.3	76%	0.755	74%	0.743	S	S	*	*			trans	93.3	138.4	166.4	-63.8	-77.7	0	0	0	118.1
218	S	25.6	Very low	28.3	Very low	93 Å²	93	132.5 Å²	132.5	65%	0.65	74%	0.741	S	S	*	*			cis	178	158.7	-21.6	45	0	0	0	0	108.8
219	C	27.6	Very low	28.6	Very low	127 Å²	127	129.6 Å²	129.6	86%	0.858	74%	0.743	S	S	*	*			trans	112.2	144.9	150.5	-72.7	0	0	0	0	121.1
220	S	26.9	Very low	28.7	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	75%	0.747	S	S	*	*			trans	-95.1	171.2	-151	-31.7	0	0	0	0	116
221	P	32.9	Very low	28.9	Very low	119 Å²	119	129.6 Å²	129.6	77%	0.773	74%	0.738	S	S	*	*			trans	-116	-160.9	166	43.4	-30.9	0	0	0	111.1
222	P	36.6	Very low	28.9	Very low	113 Å²	113	132.1 Å²	132.1	73%	0.734	74%	0.743	S	S	*	*			cis	-134.3	-172.5	-18.2	31.2	-8.3	0	0	0	113.9
223	T	28.9	Very low	28.7	Very low	136 Å²	136	130.6 Å²	130.6	83%	0.834	74%	0.743	S	S	*	*			trans	-174.4	119.6	141.5	21.2	0	0	0	0	115.1
224	S	26.9	Very low	28.6	Very low	100 Å²	100	129.9 Å²	129.9	70%	0.699	75%	0.748	S	S	*	*			trans	27.7	133.8	141	61.8	0	0	0	0	125.7
225	S	24.7	Very low	28.3	Very low	107 Å²	107	128 Å²	128	75%	0.748	75%	0.75	S	S	*	*				121.1	156.7	118.1	73.3	0	0	0	0	119
226	I	30.5	Very low	27.9	Very low	148 Å²	148	127.5 Å²	127.5	76%	0.759	75%	0.751	S	S	*	*			trans	103.7	96.9	171.8	-53.1	165.9	0	0	0	112.9
227	Q	27.2	Very low	27.6	Very low	181 Å²	181	127.6 Å²	127.6	85%	0.846	75%	0.75	S	S	*	*				56.8	142.4	91.3	-84	-166.9	-25.8	0	0	113.4
228	S	24.9	Very low	27.2	Very low	94 Å²	94	126.6 Å²	126.6	66%	0.657	75%	0.749	S	S	*	*			cis	-176.9	177.4	-1.4	54.2	0	0	0	0	105.9
229	S	28.9	Very low	27.3	Very low	117 Å²	117	126.8 Å²	126.8	82%	0.818	75%	0.75	S	S	*	*			trans	96.7	129.5	157.2	71.1	0	0	0	0	121.2
230	I	25.3	Very low	27.1	Very low	160 Å²	160	131.5 Å²	131.5	82%	0.821	75%	0.752	S	S	*	*			trans	-102.9	-167.8	-177.4	-39.2	169.6	0	0	0	105.7
231	P	32.3	Very low	27.1	Very low	97 Å²	97	130 Å²	130	63%	0.63	75%	0.753	S	S	*	*			cis	-135.7	-176.6	-29.3	11.4	16.1	0	0	0	116.4
232	L	23.7	Very low	26.8	Very low	149 Å²	149	129.3 Å²	129.3	78%	0.78	75%	0.751	S	S	*	*			trans	81.9	126.1	139.7	-76.3	157.3	0	0	0	123.1
233	Q	24.8	Very low	26.3	Very low	169 Å²	169	131.7 Å²	131.7	79%	0.79	76%	0.756	S	S	*	*			trans	56.1	126.4	145.1	-55.5	-143.6	-38	0	0	121.3
234	S	25.9	Very low	26.4	Very low	105 Å²	105	129.9 Å²	129.9	73%	0.734	75%	0.747	S	S	*	*				164.5	121.8	106.9	-68	0	0	0	0	111.7
235	S	24.5	Very low	26.5	Very low	95 Å²	95	135.1 Å²	135.1	66%	0.664	76%	0.757	S	S	*	*			trans	14.1	133.5	142	61.5	0	0	0	0	120.4
236	L	24.6	Very low	26.5	Very low	137 Å²	137	135.6 Å²	135.6	72%	0.717	76%	0.756	S	S	*	*				159.5	137.7	106.2	-85.4	177.8	0	0	0	114.3
237	F	24.6	Very low	26.3	Very low	159 Å²	159	136.7 Å²	136.7	70%	0.697	76%	0.764	S	S	*	*			trans	74	124.2	141.8	-74.3	-55.4	0	0	0	124.3
238	L	23.6	Very low	26.3	Very low	142 Å²	142	136.9 Å²	136.9	74%	0.743	76%	0.762	S	S	*	*			trans	61.8	141.3	132.3	-67.1	157.5	0	0	0	117.6
239	S	27.2	Very low	26.4	Very low	97 Å²	97	141 Å²	141	68%	0.678	77%	0.774	S	S	*	*			cis	-174.4	146.7	27.4	40.6	0	0	0	0	110.5
240	Y	24	Very low	26.2	Very low	226 Å²	226	144.1 Å²	144.1	89%	0.886	77%	0.773	S	S	*	*			trans	39	133.1	141.5	-72.3	-91	0	0	0	123.3
241	G	27.8	Very low	26.4	Very low	78 Å²	78	146 Å²	146	80%	0.804	78%	0.775	S	S	*	*			trans	173.5	104	156	0	0	0	0	0	114
242	S	25.8	Very low	26.3	Very low	105 Å²	105	146 Å²	146	73%	0.734	78%	0.778	S	S	*	*			trans	-96.7	180	-172.1	-62.1	0	0	0	0	114.1
243	I	27	Very low	26.3	Very low	163 Å²	163	144.2 Å²	144.2	84%	0.836	78%	0.778	S	S	*	*			trans	93.3	154.6	149.5	13.1	-178.1	0	0	0	121.5
244	P	30.3	Very low	26.4	Very low	99 Å²	99	144.3 Å²	144.3	64%	0.643	78%	0.782	S	S	*	*				-135	-167.7	-115.2	44.7	-23	0	0	0	114.2
245	F	28	Very low	26.2	Very low	209 Å²	209	144.4 Å²	144.4	92%	0.917	78%	0.782	S	S	*	*			trans	-144.3	122	161.9	-105	-84.9	0	0	0	113.7
246	T	25.4	Very low	26.4	Very low	118 Å²	118	145.8 Å²	145.8	72%	0.724	79%	0.792	S	S	*	*			trans	-101.6	152.2	169.8	54.1	0	0	0	0	110.7
247	N	27.6	Very low	26.5	Very low	171 Å²	171	142.5 Å²	142.5	91%	0.914	79%	0.792	S	S	*	*			trans	-136.3	117	151.7	-105.7	-17.6	0	0	0	111
248	K	25.5	Very low	26.4	Very low	185 Å²	185	140.6 Å²	140.6	80%	0.804	80%	0.798	S	S	*	*			trans	-90.5	143.2	172.3	-81.7	175.7	173.8	171.1	0	109.5
249	I	28.3	Very low	26.5	Very low	179 Å²	179	139.2 Å²	139.2	92%	0.918	80%	0.8	S	S	*	*			trans	-130.9	128.7	145.9	-63.1	-177.7	0	0	0	108.5
250	K	24.6	Very low	26.2	Very low	183 Å²	183	140.2 Å²	140.2	80%	0.796	81%	0.807	S	S	*	*			trans	-80.6	154.4	-174.3	-72.4	171.4	171.1	176.1	0	113.2
251	K	29.1	Very low	26.3	Very low	199 Å²	199	134.9 Å²	134.9	87%	0.865	80%	0.803	S	S	*	*				-173.3	92.6	128.8	-99.2	172.3	-176.6	-175.1	0	108.6
252	S	29.1	Very low	26.1	Very low	99 Å²	99	135 Å²	135	69%	0.692	79%	0.791	S	S	*	*				65.1	92.5	108.3	60.9	0	0	0	0	114
253	S	24.9	Very low	26	Very low	111 Å²	111	139.8 Å²	139.8	78%	0.776	80%	0.795	S	S	*	*				59.3	100.1	82.3	68.6	0	0	0	0	115.4
254	I	26.6	Very low	25.9	Very low	171 Å²	171	139.8 Å²	139.8	88%	0.877	80%	0.795	S	S	*	*			trans	-145.2	127.6	132.3	-60.2	-171.6	0	0	0	107.7
255	S	22.5	Very low	25.4	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	80%	0.8	S	S	*	*			trans	-94.1	146.5	178.1	48.7	0	0	0	0	112.2
256	S	28.6	Very low	25.4	Very low	125 Å²	125	136.5 Å²	136.5	87%	0.874	80%	0.797	S	S	*	*			trans	155.7	145.1	150.6	48.1	0	0	0	0	105.5
257	G	25.7	Very low	25.2	Very low	68 Å²	68	136.7 Å²	136.7	70%	0.701	80%	0.799	S	S	*	*			cis	166.8	134.2	10.5	0	0	0	0	0	103.4
258	S	22.5	Very low	25.1	Very low	119 Å²	119	136.8 Å²	136.8	83%	0.832	80%	0.797	S	S	*	*			trans	-54.8	134.9	175.8	46.5	0	0	0	0	113
259	S	26	Very low	25	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	79%	0.791	S	S	*	*			trans	174.1	128.3	136.2	47.1	0	0	0	0	112.2
260	S	21.9	Very low	24.7	Very low	119 Å²	119	133.6 Å²	133.6	83%	0.832	78%	0.779	S	S	*	*			trans	-42.3	133.3	155.8	45.1	0	0	0	0	113.9
261	S	25.8	Very low	24.7	Very low	114 Å²	114	132.7 Å²	132.7	80%	0.797	78%	0.778	S	S	*	*			trans	-178.7	143.2	143.3	179.1	0	0	0	0	110.6
262	S	22.4	Very low	24.3	Very low	79 Å²	79	131.2 Å²	131.2	55%	0.552	77%	0.774	S	S	*	*			trans	-68.4	173.8	-179.2	36.5	0	0	0	0	116
263	Y	23.8	Very low	24.1	Very low	207 Å²	207	133.3 Å²	133.3	81%	0.812	78%	0.776	S	S	*	*			trans	83.2	135.7	163.1	-60.5	-74	0	0	0	115.4
264	L	24.9	Very low	23.9	Very low	163 Å²	163	137.2 Å²	137.2	85%	0.853	78%	0.775	S	S	*	*			cis	-154.3	151.4	13.7	-90.4	124.2	0	0	0	109.8
265	S	20.6	Very low	23.9	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	77%	0.774	S	S	*	*			trans	-78.9	167.7	165	-54.2	0	0	0	0	112.3
266	P	26.7	Very low	24	Very low	132 Å²	132	142.1 Å²	142.1	86%	0.857	78%	0.779	S	S	*	*			trans	-107.1	127.5	146.9	20.6	-3.1	0	0	0	111.6
267	T	21.2	Very low	23.6	Very low	122 Å²	122	143.2 Å²	143.2	75%	0.748	78%	0.775	S	S	*	*			trans	-73.9	140.3	178.5	-46.2	0	0	0	0	112.6
268	I	26.1	Very low	23.5	Very low	173 Å²	173	146.7 Å²	146.7	89%	0.887	78%	0.783	S	S	*	*			trans	-135.2	124.1	145.3	-61.1	-176.1	0	0	0	108.8
269	Q	22.7	Very low	23.7	Very low	143 Å²	143	147.3 Å²	147.3	67%	0.668	79%	0.785	S	S	*	*			trans	-52.2	166.2	178.3	-70.7	-172.2	-8.8	0	0	113.7
270	K	22.9	Very low	23.7	Very low	154 Å²	154	145.4 Å²	145.4	67%	0.67	78%	0.782	S	S	*	*			cis	-172	152.3	5.4	-110.8	166.4	-178.4	179.3	0	101.6
271	E	24.1	Very low	23.9	Very low	164 Å²	164	149.1 Å²	149.1	77%	0.766	78%	0.783	S	S	*	*				-179.2	141.8	56	-126.5	154.3	-145.1	0	0	106.7
272	Q	21.4	Very low	23.8	Very low	168 Å²	168	149.9 Å²	149.9	79%	0.785	78%	0.778	S	S	*	*			trans	-89.4	133.6	175.9	-71	172.8	-21.4	0	0	109.7
273	I	24.7	Very low	23.9	Very low	144 Å²	144	152.4 Å²	152.4	74%	0.738	78%	0.784	S	S	*	*			trans	-133.3	108.7	155.7	-57.4	-179.4	0	0	0	108.1	F275	I273-F275 HydrophobicContact CG2-CD2 3.61Å; I273-F275 HydrophobicContact CG2-CE2 3.65Å
274	Y	21.1	Very low	23.9	Very low	193 Å²	193	149.2 Å²	149.2	76%	0.757	78%	0.781	S	S	*	*			trans	-73.8	137.7	161.6	-84.2	-98.8	0	0	0	108.9
275	F	26.2	Very low	23.8	Very low	197 Å²	197	147.3 Å²	147.3	86%	0.864	78%	0.776	S	S	*	*			trans	-146.7	146.3	145.8	-85	-67.5	0	0	0	113.2	I273	I273-F275 HydrophobicContact CG2-CD2 3.61Å; I273-F275 HydrophobicContact CG2-CE2 3.65Å
276	H	24.5	Very low	24.2	Very low	182 Å²	182	147.7 Å²	147.7	84%	0.843	78%	0.776	S	S	*	*			trans	-71.1	157.9	-166.6	-91.5	-108.1	0	0	0	115.8
277	N	21.3	Very low	24.3	Very low	148 Å²	148	150.8 Å²	150.8	79%	0.791	78%	0.779	S	S	*	*			trans	-47	139.3	160.1	-72.1	-31	0	0	0	113.3
278	T	23.6	Very low	24.5	Very low	142 Å²	142	152 Å²	152	87%	0.871	78%	0.78	S	S	*	*				-179.9	147.5	121.4	26.5	0	0	0	0	112.4
279	P	25	Very low	24.5	Very low	132 Å²	132	149.9 Å²	149.9	86%	0.857	78%	0.777	S	S	*	*			trans	-105.6	156.9	-171.5	38.8	-30.2	0	0	0	114.2
280	G	26.2	Very low	24.5	Very low	71 Å²	71	148.3 Å²	148.3	73%	0.732	78%	0.778	S	S	*	*			trans	170.6	122.1	163.1	0	0	0	0	0	116.6
281	K	26.2	Very low	24.8	Very low	197 Å²	197	148.6 Å²	148.6	86%	0.857	79%	0.786	S	S	*	*			trans	50.5	142.8	136.6	-75.5	-175.1	166.2	178.4	0	119.4
282	L	23.5	Very low	24.9	Very low	131 Å²	131	149.3 Å²	149.3	69%	0.686	79%	0.792	S	S	*	*			cis	175.6	154.7	1.9	-115.6	172.2	0	0	0	106.6
283	L	24.7	Very low	25.1	Very low	131 Å²	131	148.8 Å²	148.8	69%	0.686	79%	0.793	S	S	*	*			trans	90.9	115	147.8	-61.9	152.7	0	0	0	123
284	L	24.5	Very low	25.1	Very low	141 Å²	141	151.4 Å²	151.4	74%	0.738	80%	0.799	S	S	*	*				57.6	146.2	126.5	-66.2	162	0	0	0	121.4
285	T	23.2	Very low	25.4	Very low	122 Å²	122	147.8 Å²	147.8	75%	0.748	80%	0.802	S	S	*	*			cis	-169.2	167.8	-21.8	17.6	0	0	0	0	106.5
286	P	28.1	Very low	25.2	Very low	114 Å²	114	143 Å²	143	74%	0.74	80%	0.799	S	S	*	*			trans	-105.3	166.8	-152.9	39.6	-32.6	0	0	0	116.2
287	Q	29.4	Very low	25.3	Very low	198 Å²	198	143.1 Å²	143.1	93%	0.925	80%	0.8	S	S	*	*			trans	-139.9	128.3	159.7	-73.2	-156.6	-14.9	0	0	112.6
288	L	24.1	Very low	25.3	Very low	148 Å²	148	141 Å²	141	78%	0.775	80%	0.797	S	S	*	*			trans	-87.6	164.9	165.6	-109.8	98.6	0	0	0	110.2	T290	L288-T290 HydrophobicContact CD2-CG2 4.43Å
289	P	26.4	Very low	25.3	Very low	127 Å²	127	142.1 Å²	142.1	83%	0.825	80%	0.797	S	S	*	*				-140.6	145.2	107.6	21.5	-0.4	0	0	0	116.2
290	T	23.7	Very low	25.2	Very low	111 Å²	111	141.9 Å²	141.9	68%	0.681	79%	0.793	S	S	*	*			trans	-56.9	141.7	166.8	36.7	0	0	0	0	114.4	L288	L288-T290 HydrophobicContact CD2-CG2 4.43Å
291	N	29.2	Very low	25	Very low	159 Å²	159	144.1 Å²	144.1	85%	0.85	79%	0.792	S	S	*	*			trans	-160.6	133.5	145.8	-98.9	-19.9	0	0	0	113.3
292	M	26.6	Very low	24.8	Very low	179 Å²	179	143.8 Å²	143.8	88%	0.882	79%	0.79	S	S	*	*			trans	90.7	94.1	153.7	-46.2	-132.6	79.8	0	0	119.6
293	I	23.8	Very low	24.9	Very low	158 Å²	158	144.9 Å²	144.9	81%	0.81	80%	0.796	S	S	*	*			trans	-75.7	134	158.9	-59.8	167	0	0	0	108.9
294	K	26.4	Very low	24.8	Very low	198 Å²	198	146.7 Å²	146.7	86%	0.861	80%	0.8	S	S	*	*			trans	159.8	112.8	131.8	-87.9	172.3	-174.3	-177.9	0	111.8
295	S	25.9	Very low	24.9	Very low	118 Å²	118	149.7 Å²	149.7	83%	0.825	81%	0.807	S	S	*	*				150.1	126.6	120.6	-157.3	0	0	0	0	110.5
296	A	22.3	Very low	24.9	Very low	96 Å²	96	151.1 Å²	151.1	79%	0.793	81%	0.81	S	S	*	*			trans	-91.1	123.5	176.9	0	0	0	0	0	109.2
297	E	26.7	Very low	24.8	Very low	184 Å²	184	150.4 Å²	150.4	86%	0.86	81%	0.808	S	S	*	*			trans	-140	136.9	157.9	-75.1	-170	165.2	0	0	110.2
298	S	22.2	Very low	24.6	Very low	105 Å²	105	148.1 Å²	148.1	73%	0.734	80%	0.802	S	S	*	*			trans	-58.3	131.8	-176	53.4	0	0	0	0	114.2
299	L	23.8	Very low	24.7	Very low	165 Å²	165	146.4 Å²	146.4	86%	0.864	80%	0.803	S	S	*	*			trans	-118.8	95.5	160	-89.7	158.1	0	0	0	109.4	V301	L299-V301 PolarHBondContact O-N 3.38Å
300	T	21.3	Very low	24.7	Very low	127 Å²	127	150.1 Å²	150.1	78%	0.779	81%	0.806	S	S	*	*			trans	-74.7	103.9	164.9	39.8	0	0	0	0	108.8	K302	T300-K302 PolarHBondContact O-N 3.36Å
301	V	23.5	Very low	24.7	Very low	118 Å²	118	149.7 Å²	149.7	72%	0.715	81%	0.814	S	S	*	*			trans	-87.5	109.1	173	180	0	0	0	0	109.1	L299 I303	L299-V301 PolarHBondContact O-N 3.38Å; V301-I303 HydrophobicContact CG1-CG1 4.41Å; V301-I303 PolarHBondContact O-N 2.82Å
302	K	22.3	Very low	24.7	Very low	189 Å²	189	148.9 Å²	148.9	82%	0.822	81%	0.808	S	S	*	*			trans	-70.3	115	169	-71.6	175.7	178.4	173.9	0	109.1	T300	T300-K302 PolarHBondContact O-N 3.36Å
303	I	25	Very low	24.5	Very low	155 Å²	155	146.9 Å²	146.9	80%	0.795	80%	0.801	S	S	*	*			trans	-94.7	107.2	171.7	-58.3	177.1	0	0	0	108.5	V301	V301-I303 HydrophobicContact CG1-CG1 4.41Å; V301-I303 PolarHBondContact O-N 2.82Å
304	H	23.3	Very low	24.8	Very low	168 Å²	168	148 Å²	148	78%	0.778	80%	0.796	S	S	*	*			trans	-65.9	128.9	167.3	-89.6	-69.6	0	0	0	110.1	N306	H304-N306 PolarHBondContact O-N 3.14Å
305	K	24.7	Very low	24.7	Very low	205 Å²	205	143 Å²	143	89%	0.891	79%	0.787	S	S	*	*			trans	-69.9	105.5	168.2	-69.7	-179.4	177.1	-178.9	0	108.4
306	N	24.6	Very low	24.8	Very low	152 Å²	152	147.1 Å²	147.1	81%	0.813	79%	0.786	S	S	*	*			trans	-108.1	113.2	159.2	-98	2.9	0	0	0	109.1	H304 D308	H304-N306 PolarHBondContact O-N 3.14Å; N306-D308 PolarHBondContact O-N 3.35Å
307	S	25.3	Very low	25.2	Very low	98 Å²	98	150.9 Å²	150.9	69%	0.685	79%	0.792	S	S	*	*			trans	-46	117.1	150.4	43.4	0	0	0	0	109.3
308	D	25.2	Very low	25.1	Very low	150 Å²	150	146.8 Å²	146.8	80%	0.802	78%	0.783	S	S	*	*			trans	164.2	136.4	134.8	-77.8	-21.3	0	0	0	109.9	N306 K310	N306-D308 PolarHBondContact O-N 3.35Å; D308-K310 PolarHBondContact O-N 2.91Å
309	S	25.9	Very low	25.3	Very low	113 Å²	113	148.8 Å²	148.8	79%	0.79	79%	0.785	S	S	*	*			trans	-48.6	115.5	176	52.3	0	0	0	0	112.9
310	K	26.6	Very low	25.6	Very low	205 Å²	205	148.4 Å²	148.4	89%	0.891	78%	0.784	S	S	*	*			trans	-166	145.4	151.9	-103.8	154.5	-170.9	-176.9	0	110.5	D308	D308-K310 PolarHBondContact O-N 2.91Å
311	A	24.7	Very low	25.9	Very low	102 Å²	102	152.1 Å²	152.1	84%	0.843	79%	0.793	S	S	*	*			trans	-50.3	131.4	-170.1	0	0	0	0	0	113.9	D313	A311-D313 PolarHBondContact O-N 3.05Å
312	L	27.7	Very low	26.1	Very low	141 Å²	141	150.9 Å²	150.9	74%	0.738	79%	0.789	S	S	*	*			trans	-79.2	106.7	164.8	-92.6	156.9	0	0	0	108.3	Y314	L312-Y314 HydrophobicContact CB-CD2 4.18Å; L312-Y314 HydrophobicContact CB-CE2 3.85Å; L312-Y314 HydrophobicContact CD2-CE2 4.47Å; L312-Y314 PolarHBondContact O-N 3.16Å
313	D	24	Very low	26.2	Very low	138 Å²	138	145.6 Å²	145.6	74%	0.738	79%	0.788	S	S	*	*			trans	-70.4	116.1	170.8	-163.6	10.7	0	0	0	108.9	A311	A311-D313 PolarHBondContact O-N 3.05Å
314	Y	29.8	Very low	26.3	Very low	180 Å²	180	145.1 Å²	145.1	71%	0.706	79%	0.787	S	S	*	*			trans	-113.4	77.8	174.3	-83	-82.9	0	0	0	108	L312 Y316	L312-Y314 HydrophobicContact CB-CD2 4.18Å; L312-Y314 HydrophobicContact CB-CE2 3.85Å; L312-Y314 HydrophobicContact CD2-CE2 4.47Å; L312-Y314 PolarHBondContact O-N 3.16Å; Y314-Y316 PolarHBondContact O-N 3.3Å
315	S	24.4	Very low	26.5	Very low	94 Å²	94	141.7 Å²	141.7	66%	0.657	78%	0.782	S	S	*	*			trans	-80.7	16.3	173.9	48.3	0	0	0	0	113.7
316	Y	27.9	Very low	26.7	Very low	205 Å²	205	137 Å²	137	80%	0.804	77%	0.771	S	S	*	*			trans	-101.9	134.9	170.5	-99.2	-101.5	0	0	0	108.8	Y314	Y314-Y316 PolarHBondContact O-N 3.3Å
317	L	29.6	Very low	26.7	Very low	175 Å²	175	135.3 Å²	135.3	92%	0.916	76%	0.762	S	S	*	*			trans	98.8	39.3	-176	-48.2	175.8	0	0	0	115.4
318	S	25.7	Very low	26.9	Very low	97 Å²	97	135.6 Å²	135.6	68%	0.678	76%	0.76	S	S	*	*			trans	-91.9	144.1	144.8	-61.4	0	0	0	0	108.1
319	D	25.8	Very low	27	Very low	147 Å²	147	132 Å²	132	79%	0.786	75%	0.746	S	S	*	*			trans	75.4	100.9	171.3	-49.1	-31.2	0	0	0	115.8
320	D	30.7	Very low	27.3	Very low	157 Å²	157	130 Å²	130	84%	0.84	73%	0.732	S	S	*	*				-171.3	112.6	122.2	-89.2	-23.2	0	0	0	110.7	S322	D320-S322 PolarHBondContact O-N 3.44Å; D320-S322 VanDerWaalsContact O-N 3.17Å
321	Q	26.7	Very low	27.4	Very low	206 Å²	206	122.2 Å²	122.2	96%	0.963	70%	0.702	S	S	*	*			trans	-74.5	92.9	166.7	-65.9	-161	8.1	0	0	109.1
322	S	28.3	Very low	27.7	Very low	91 Å²	91	121.6 Å²	121.6	64%	0.636	68%	0.683	S	S	*	*			trans	-163.1	130.3	153.1	55.6	0	0	0	0	109.9	D320 N324	D320-S322 PolarHBondContact O-N 3.44Å; D320-S322 VanDerWaalsContact O-N 3.17Å; S322-N324 PolarHBondContact O-N 2.92Å; S322-N324 VanDerWaalsContact O-N 3.14Å
323	G	25.4	Very low	27.9	Very low	78 Å²	78	118.4 Å²	118.4	80%	0.804	67%	0.667	S	S	*	*			trans	-63.4	114.2	173.3	0	0	0	0	0	109.4
324	N	25.1	Very low	28.2	Very low	145 Å²	145	117.4 Å²	117.4	78%	0.775	66%	0.661	S	S	*	*			trans	-155.9	145.4	163.4	-93.3	-32	0	0	0	110.3	S322 V326	S322-N324 PolarHBondContact O-N 2.92Å; S322-N324 VanDerWaalsContact O-N 3.14Å; N324-V326 PolarHBondContact O-N 3.2Å
325	S	27.6	Very low	28.4	Very low	96 Å²	96	114 Å²	114	67%	0.671	66%	0.655	S	S	*	*			trans	-40.3	124.3	-178.6	54.6	0	0	0	0	112.7	N327	S325-N327 PolarHBondContact O-N 3.3Å
326	V	28.8	Very low	28.6	Very low	106 Å²	106	116.6 Å²	116.6	64%	0.642	65%	0.654	S	S	*	*			trans	-58.7	103.6	170.1	179.2	0	0	0	0	107.6	N324 T328	N324-V326 PolarHBondContact O-N 3.2Å; V326-T328 PolarHBondContact O-N 3.37Å
327	N	25.8	Very low	28.6	Very low	117 Å²	117	112 Å²	112	63%	0.626	65%	0.651	S	S	*	*			trans	-57.8	108.5	175	-85.7	-21	0	0	0	108.5	S325 S329 S330	S325-N327 PolarHBondContact O-N 3.3Å; N327-S329 PolarHBondContact O-N 3.35Å; N327-S330 PolarHBondContact O-N 2.99Å; N327-S330 PolarHBondContact O-OG 2.93Å; N327-S330 VanDerWaalsContact O-OG 3.12Å
328	T	28.9	Very low	28.7	Very low	105 Å²	105	108 Å²	108	64%	0.644	63%	0.629	S	S	*	*	H	α-helix	trans	-55.2	-19.2	178.3	48.7	0	0	0	0	113.3	V326 T331 I332	V326-T328 PolarHBondContact O-N 3.37Å; T328-T331 WeakPolarHBondContact CA-OG1 3.42Å; T328-T331 PolarHBondContact O-OG1 2.89Å; T328-I332 WeakPolarHBondContact O-CG1 3.44Å; T328-I332 PolarHBondContact O-N 3.37Å
329	S	28.1	Very low	28.7	Very low	75 Å²	75	105.6 Å²	105.6	52%	0.524	62%	0.62	S	S	.	*	H	α-helix	trans	-63.5	-41.4	179.3	-159.9	0	0	0	0	113.9	N327 T331 I332 D333	N327-S329 PolarHBondContact O-N 3.35Å; S329-T331 VanDerWaalsContact C-N 3.35Å; S329-T331 PolarHBondContact O-N 3.49Å; S329-I332 PolarHBondContact O-N 3.45Å; S329-D333 PolarHBondContact O-N 3.43Å
330	S	31.4	Very low	28.8	Very low	71 Å²	71	105.1 Å²	105.1	50%	0.497	63%	0.625	S	S	.	*	H	α-helix	trans	-72.5	-29.6	-177.6	54.6	0	0	0	0	112.7	N327 D333 L334	N327-S330 PolarHBondContact O-N 2.99Å; N327-S330 PolarHBondContact O-OG 2.93Å; N327-S330 VanDerWaalsContact O-OG 3.12Å; S330-D333 PolarHBondContact O-N 3.09Å; S330-L334 PolarHBondContact O-N 2.68Å
331	T	29.8	Very low	28.7	Very low	40 Å²	40	100.5 Å²	100.5	25%	0.245	60%	0.602	C	S	.	*	H	α-helix	trans	-70.1	-32.1	173.3	21.7	0	0	0	0	113.8	T328 S329 D333 L335 W364	T328-T331 WeakPolarHBondContact CA-OG1 3.42Å; T328-T331 PolarHBondContact O-OG1 2.89Å; S329-T331 VanDerWaalsContact C-N 3.35Å; S329-T331 PolarHBondContact O-N 3.49Å; T331-D333 VanDerWaalsContact C-N 3.35Å; T331-L335 PolarHBondContact O-N 3.21Å; T331-W364 HydrophobicContact CG2-CZ2 4.14Å
332	I	30.6	Very low	28.7	Very low	89 Å²	89	99 Å²	99	46%	0.456	60%	0.595	S	S	.	*	H	α-helix	trans	-73	-32.5	176.4	-68.7	169.2	0	0	0	110.4	T328 S329 L335 K336	T328-I332 WeakPolarHBondContact O-CG1 3.44Å; T328-I332 PolarHBondContact O-N 3.37Å; S329-I332 PolarHBondContact O-N 3.45Å; I332-L335 PolarHBondContact O-N 2.94Å; I332-K336 PolarHBondContact O-N 2.71Å
333	D	31	Very low	28.7	Very low	75 Å²	75	101.3 Å²	101.3	40%	0.401	59%	0.594	S	S	.	*	H	α-helix	trans	-73.5	-32.8	177.8	-67.5	-30.8	0	0	0	112.6	S329 S330 T331 L335 K336 C337	S329-D333 PolarHBondContact O-N 3.43Å; S330-D333 PolarHBondContact O-N 3.09Å; T331-D333 VanDerWaalsContact C-N 3.35Å; D333-L335 VanDerWaalsContact C-N 3.27Å; D333-L335 PolarHBondContact O-N 2.89Å; D333-K336 PolarHBondContact O-N 3.3Å; D333-K336 IonicContact OD1-NZ 2.65Å; D333-K336 PolarHBondContact OD1-NZ 2.91Å; D333-C337 PolarHBondContact O-N 3.47Å; D333-C337 PolarHBondContact O-SG 2.83Å
334	L	32	Very low	28.9	Very low	116 Å²	116	103.3 Å²	103.3	61%	0.607	59%	0.585	S	S	*	*	H	α-helix	trans	-63.5	-30.5	169.5	-77.8	166	0	0	0	113.2	S330	S330-L334 PolarHBondContact O-N 2.68Å
335	L	32.4	Very low	29.2	Very low	110 Å²	110	101.7 Å²	101.7	58%	0.576	58%	0.576	S	S	*	*	H	α-helix	trans	-76.5	-21.9	176.9	-78.1	159.6	0	0	0	113	T331 I332 D333	T331-L335 PolarHBondContact O-N 3.21Å; I332-L335 PolarHBondContact O-N 2.94Å; D333-L335 VanDerWaalsContact C-N 3.27Å; D333-L335 PolarHBondContact O-N 2.89Å
336	K	29.2	Very low	29.3	Very low	147 Å²	147	101.9 Å²	101.9	64%	0.639	57%	0.57	S	S	*	*	H	α-helix	trans	-81.5	-23.5	176.7	-69.1	172.7	-169	156.5	0	113.3	I332 D333 I338	I332-K336 PolarHBondContact O-N 2.71Å; D333-K336 PolarHBondContact O-N 3.3Å; D333-K336 IonicContact OD1-NZ 2.65Å; D333-K336 PolarHBondContact OD1-NZ 2.91Å; K336-I338 PolarHBondContact O-N 2.75Å
337	C	28.9	Very low	29.6	Very low	110 Å²	110	100.4 Å²	100.4	74%	0.743	58%	0.576	S	S	*	*	S	Bend	trans	-75.2	-9.2	179.9	-65.3	0	0	0	0	114	D333 G339	D333-C337 PolarHBondContact O-N 3.47Å; D333-C337 PolarHBondContact O-SG 2.83Å; C337-G339 PolarHBondContact O-N 3.39Å
338	I	30.2	Very low	30.8	Very low	90 Å²	90	96.9 Å²	96.9	46%	0.462	56%	0.563	S	S	.	*	S	Bend	trans	-96.6	91.5	-179.1	-51.2	171.8	0	0	0	107.6	K336 V341 L354	K336-I338 PolarHBondContact O-N 2.75Å; I338-V341 HydrophobicContact CG2-CG2 3.76Å; I338-L354 HydrophobicContact CB-CD2 4.38Å; I338-L354 HydrophobicContact CD1-CD2 3.95Å; I338-L354 HydrophobicContact CG2-CD2 3.75Å
339	G	26.4	Very low	31.8	Very low	46 Å²	46	92.1 Å²	92.1	47%	0.474	54%	0.535	S	S	.	.			trans	-57	175.2	176.1	0	0	0	0	0	113.8	C337 V341	C337-G339 PolarHBondContact O-N 3.39Å; G339-V341 WeakPolarHBondContact O-CG2 3.46Å; G339-V341 PolarHBondContact O-N 3.26Å; G339-V341 VanDerWaalsContact O-N 3.08Å
340	P	27.6	Very low	32.8	Very low	138 Å²	138	89.5 Å²	89.5	90%	0.896	52%	0.515	S	S	*	.			trans	-59.4	115.5	-170.8	25	-33	0	0	0	110.8
341	V	28.8	Very low	33.7	Very low	60 Å²	60	90.6 Å²	90.6	36%	0.364	51%	0.511	S	S	.	.			trans	-92.4	125.9	-171.9	-162.8	0	0	0	0	111.1	I338 G339 P353	I338-V341 HydrophobicContact CG2-CG2 3.76Å; G339-V341 WeakPolarHBondContact O-CG2 3.46Å; G339-V341 PolarHBondContact O-N 3.26Å; G339-V341 VanDerWaalsContact O-N 3.08Å; V341-P353 HydrophobicContact CB-CB 3.75Å; V341-P353 HydrophobicContact CB-CG 3.85Å; V341-P353 HydrophobicContact CG1-CB 3.15Å; V341-P353 HydrophobicContact CG1-CG 3.54Å; V341-P353 HydrophobicContact CG2-CB 4.38Å
342	E	25.8	Very low	34.5	Very low	175 Å²	175	89.7 Å²	89.7	82%	0.818	50%	0.504	S	S	*	.			trans	-63	133.9	-177.5	-65	-179.8	169.2	0	0	112.8	I344	E342-I344 PolarHBondContact O-N 3.43Å
343	F	28.5	Very low	34.9	Very low	139 Å²	139	87.7 Å²	87.7	61%	0.61	50%	0.497	S	S	*	.			trans	-87.5	106.8	-174.4	-62.6	-73.7	0	0	0	111.9	N345 I350	F343-N345 PolarHBondContact O-N 3.49Å; F343-I350 HydrophobicContact CB-CG2 4.3Å; F343-I350 HydrophobicContact CD1-CG2 3.25Å; F343-I350 HydrophobicContact CE1-CG2 3.86Å; F343-I350 HydrophobicContact CG-CG2 4.14Å
344	I	29.5	Very low	35.3	Very low	120 Å²	120	87.7 Å²	87.7	62%	0.615	50%	0.497	S	S	*	.			trans	-83.2	110.7	172	-53.3	175.5	0	0	0	109.4	E342 N346	E342-I344 PolarHBondContact O-N 3.43Å; I344-N346 PolarHBondContact O-N 3.05Å
345	N	31.9	Very low	36.2	Very low	111 Å²	111	82.4 Å²	82.4	59%	0.594	47%	0.47	S	S	*	.	B	Isolated β-bridge	trans	-95.3	87.8	-170.9	-154.6	-0	0	0	0	112	F343 G347	F343-N345 PolarHBondContact O-N 3.49Å; N345-G347 VanDerWaalsContact C-N 3.33Å; N345-G347 PolarHBondContact O-N 3.44Å; N345-G347 VanDerWaalsContact O-N 3.15Å
346	N	30	Very low	36.5	Very low	99 Å²	99	80.9 Å²	80.9	53%	0.529	47%	0.467	S	S	.	.			trans	-88.3	67.5	175.9	-67.3	7.7	0	0	0	111	I344 A348	I344-N346 PolarHBondContact O-N 3.05Å; N346-A348 VanDerWaalsContact C-N 3.25Å; N346-A348 PolarHBondContact O-N 2.86Å
347	G	35.5	Very low	37.6	Very low	75 Å²	75	77 Å²	77	77%	0.773	46%	0.459	S	S	*	.	S	Bend	trans	64.7	-12.8	156.3	0	0	0	0	0	120.4	N345	N345-G347 VanDerWaalsContact C-N 3.33Å; N345-G347 PolarHBondContact O-N 3.44Å; N345-G347 VanDerWaalsContact O-N 3.15Å
348	A	49.7	Very low	39.1	Very low	43 Å²	43	74.6 Å²	74.6	36%	0.355	44%	0.441	S	S	.	.	S	Bend	trans	-137.9	-14.8	-178.8	0	0	0	0	0	114.9	N346 L421	N346-A348 VanDerWaalsContact C-N 3.25Å; N346-A348 PolarHBondContact O-N 2.86Å; A348-L421 WeakPolarHBondContact O-CD2 3.3Å
349	G	50.8	Low	40.7	Very low	5 Å²	5	77.2 Å²	77.2	5%	0.052	45%	0.449	C	S	.	.	S	Bend	trans	174.6	173	171.1	0	0	0	0	0	111.5
350	I	48.7	Very low	42.2	Very low	20 Å²	20	82.2 Å²	82.2	10%	0.103	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.2	-173.8	-60.9	169.2	0	0	0	107.3	F343 N352 Y406 L407 K409 F412	F343-I350 HydrophobicContact CB-CG2 4.3Å; F343-I350 HydrophobicContact CD1-CG2 3.25Å; F343-I350 HydrophobicContact CE1-CG2 3.86Å; F343-I350 HydrophobicContact CG-CG2 4.14Å; I350-N352 PolarHBondContact O-N 3.28Å; I350-Y406 CarbonylContact O-C 3.41Å; I350-Y406 WeakPolarHBondContact O-CA 3.36Å; I350-L407 HydrophobicContact CB-CB 4.25Å; I350-L407 PolarHBondContact N-O 3.48Å; I350-L407 PolarHBondContact O-N 3.11Å; I350-K409 HydrophobicContact CD1-CB 4.49Å; I350-K409 HydrophobicContact CG1-CB 4.47Å; I350-F412 HydrophobicContact CD1-CD1 4.4Å; I350-F412 HydrophobicContact CD1-CE1 3.85Å
351	K	49.7	Very low	43.8	Very low	94 Å²	94	76.4 Å²	76.4	41%	0.409	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	125.1	168.4	-77.1	-177.6	179.1	176	0	107.5	P353 R405 Y406	K351-P353 WeakPolarHBondContact O-CD 3.43Å; K351-R405 WeakPolarHBondContact CA-O 3.21Å; K351-Y406 HydrophobicContact CG-CD1 4.17Å; K351-Y406 HydrophobicContact CG-CE1 3.94Å
352	N	48	Very low	45.6	Very low	22 Å²	22	78.6 Å²	78.6	12%	0.118	42%	0.42	C	S	.	.			trans	-72.9	113.6	174.2	-178.7	-3.6	0	0	0	108.4	I350 L354 A355 H404 R405 L407	I350-N352 PolarHBondContact O-N 3.28Å; N352-L354 PolarHBondContact O-N 3.41Å; N352-L354 VanDerWaalsContact OD1-CB 3.3Å; N352-L354 WeakPolarHBondContact OD1-CB 3.45Å; N352-L354 PolarHBondContact OD1-N 3.24Å; N352-A355 HydrophobicContact CB-CB 3.74Å; N352-A355 WeakPolarHBondContact O-CB 2.97Å; N352-A355 PolarHBondContact O-N 3.23Å; N352-H404 WeakPolarHBondContact CB-O 3.19Å; N352-H404 PolarHBondContact ND2-O 3.43Å; N352-H404 VanDerWaalsContact ND2-O 3.09Å; N352-R405 PolarHBondContact N-O 3.5Å; N352-L407 HydrophobicContact CB-CD1 4.28Å; N352-L407 HydrophobicContact CB-CG 4.25Å
353	P	38.3	Very low	47.7	Very low	47 Å²	47	74.1 Å²	74.1	31%	0.305	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-64.7	-26.2	-179	-20.8	35.7	0	0	0	112.7	V341 K351 A355	V341-P353 HydrophobicContact CB-CB 3.75Å; V341-P353 HydrophobicContact CB-CG 3.85Å; V341-P353 HydrophobicContact CG1-CB 3.15Å; V341-P353 HydrophobicContact CG1-CG 3.54Å; V341-P353 HydrophobicContact CG2-CB 4.38Å; K351-P353 WeakPolarHBondContact O-CD 3.43Å; P353-A355 VanDerWaalsContact C-N 3.27Å; P353-A355 PolarHBondContact O-N 3.11Å
354	L	39.7	Very low	49.9	Very low	75 Å²	75	72.4 Å²	72.4	39%	0.393	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-74.1	-17.6	174.5	-57.8	173.4	0	0	0	112.9	I338 N352 C356 L403	I338-L354 HydrophobicContact CB-CD2 4.38Å; I338-L354 HydrophobicContact CD1-CD2 3.95Å; I338-L354 HydrophobicContact CG2-CD2 3.75Å; N352-L354 PolarHBondContact O-N 3.41Å; N352-L354 VanDerWaalsContact OD1-CB 3.3Å; N352-L354 WeakPolarHBondContact OD1-CB 3.45Å; N352-L354 PolarHBondContact OD1-N 3.24Å; L354-C356 PolarHBondContact O-N 3.17Å; L354-L403 HydrophobicContact CB-CD2 4.07Å
355	A	50.4	Low	51.8	Low	4 Å²	4	66.7 Å²	66.7	3%	0.033	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-91.6	22.2	179	0	0	0	0	0	112.4	N352 P353 S357 H404 R405	N352-A355 HydrophobicContact CB-CB 3.74Å; N352-A355 WeakPolarHBondContact O-CB 2.97Å; N352-A355 PolarHBondContact O-N 3.23Å; P353-A355 VanDerWaalsContact C-N 3.27Å; P353-A355 PolarHBondContact O-N 3.11Å; A355-S357 PolarHBondContact O-N 3.05Å; A355-H404 WeakPolarHBondContact CB-O 3.32Å; A355-R405 HydrophobicContact CB-CB 4.35Å; A355-R405 HydrophobicContact CB-CG 4Å
356	C	38.1	Very low	53.9	Low	78 Å²	78	62.6 Å²	62.6	53%	0.527	34%	0.338	S	S	.	.			trans	-50.1	115.6	177.4	-165.4	0	0	0	0	108.1	L354 T358 E361	L354-C356 PolarHBondContact O-N 3.17Å; C356-T358 HydrophobicContact CB-CG2 4.21Å; C356-T358 PolarHBondContact O-N 2.97Å; C356-E361 VanDerWaalsContact O-OE2 3.1Å
357	S	53	Low	56.2	Low	66 Å²	66	67.6 Å²	67.6	46%	0.462	35%	0.349	S	S	.	.			trans	-72	42.1	-171.1	55.2	0	0	0	0	112.9	A355	A355-S357 PolarHBondContact O-N 3.05Å
358	T	60.2	Low	58	Low	60 Å²	60	67 Å²	67	37%	0.368	33%	0.328	S	S	.	.			trans	-62.7	147.1	177.2	66.3	0	0	0	0	108.2	C356 F360 E361 R362	C356-T358 HydrophobicContact CB-CG2 4.21Å; C356-T358 PolarHBondContact O-N 2.97Å; T358-F360 PolarHBondContact O-N 3.33Å; T358-E361 PolarHBondContact O-N 2.99Å; T358-E361 WeakPolarHBondContact OG1-CB 3.24Å; T358-E361 PolarHBondContact OG1-N 2.96Å; T358-R362 PolarHBondContact O-N 3.14Å
359	K	63.3	Low	59	Low	144 Å²	144	68.1 Å²	68.1	63%	0.626	32%	0.323	S	S	*	.	H	α-helix	trans	-53.8	-37	168.8	-168.7	-174.4	178.2	-164.5	0	109.8	R362 E363	K359-R362 PolarHBondContact O-N 3.17Å; K359-E363 WeakPolarHBondContact CE-OE1 3.1Å; K359-E363 WeakPolarHBondContact CG-OE1 2.97Å; K359-E363 IonicContact NZ-OE1 3.66Å; K359-E363 WeakPolarHBondContact O-CB 3.07Å; K359-E363 WeakPolarHBondContact O-CG 3.37Å; K359-E363 PolarHBondContact O-N 3.47Å
360	F	59.6	Low	60.4	Low	151 Å²	151	68.7 Å²	68.7	66%	0.662	33%	0.328	S	S	*	.	H	α-helix	trans	-61.8	-48.9	178.9	-167.7	-99.2	0	0	0	114.4	T358 R362 E363 W364	T358-F360 PolarHBondContact O-N 3.33Å; F360-R362 VanDerWaalsContact C-N 3.28Å; F360-R362 PolarHBondContact O-N 3.32Å; F360-E363 PolarHBondContact O-N 3.36Å; F360-W364 WeakPolarHBondContact O-CB 3.45Å; F360-W364 PolarHBondContact O-N 3Å
361	E	59.6	Low	62	Low	17 Å²	17	70 Å²	70	8%	0.079	34%	0.339	C	S	.	.	H	α-helix	trans	-59	-41.6	176.8	-173.9	-140.2	163.4	0	0	111	C356 T358 L365 K398	C356-E361 VanDerWaalsContact O-OE2 3.1Å; T358-E361 PolarHBondContact O-N 2.99Å; T358-E361 WeakPolarHBondContact OG1-CB 3.24Å; T358-E361 PolarHBondContact OG1-N 2.96Å; E361-L365 HydrophobicContact CG-CD1 4.32Å; E361-L365 WeakPolarHBondContact O-CB 3.5Å; E361-L365 VanDerWaalsContact O-CG 3.29Å; E361-L365 WeakPolarHBondContact O-CG 3.35Å; E361-L365 PolarHBondContact O-N 2.97Å; E361-K398 IonicContact OE1-NZ 3.93Å; E361-K398 PolarHBondContact OE1-NZ 3.28Å; E361-K398 IonicContact OE2-NZ 3.95Å; E361-K398 PolarHBondContact OE2-NZ 3.01Å
362	R	67.7	Low	63.5	Low	106 Å²	106	70.9 Å²	70.9	40%	0.4	34%	0.344	S	S	.	.	H	α-helix	trans	-66.3	-43.9	177.5	-70.1	-174.5	-75.8	162.9	-4	112	T358 K359 F360 N366 T394	T358-R362 PolarHBondContact O-N 3.14Å; K359-R362 PolarHBondContact O-N 3.17Å; F360-R362 VanDerWaalsContact C-N 3.28Å; F360-R362 PolarHBondContact O-N 3.32Å; R362-N366 VanDerWaalsContact O-CB 3.25Å; R362-N366 WeakPolarHBondContact O-CB 3.27Å; R362-N366 PolarHBondContact O-N 2.89Å; R362-N366 PolarHBondContact O-ND2 3.37Å; R362-T394 HydrophobicContact CB-CG2 3.97Å; R362-T394 HydrophobicContact CG-CG2 3.8Å
363	E	70.5	Confident	65	Low	80 Å²	80	74.4 Å²	74.4	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-44.5	177.4	-76.5	171.1	176.4	0	0	111.4	K359 F360 N366 R367	K359-E363 WeakPolarHBondContact CE-OE1 3.1Å; K359-E363 WeakPolarHBondContact CG-OE1 2.97Å; K359-E363 IonicContact NZ-OE1 3.66Å; K359-E363 WeakPolarHBondContact O-CB 3.07Å; K359-E363 WeakPolarHBondContact O-CG 3.37Å; K359-E363 PolarHBondContact O-N 3.47Å; F360-E363 PolarHBondContact O-N 3.36Å; E363-N366 PolarHBondContact O-N 3.45Å; E363-R367 WeakPolarHBondContact O-CG 3.46Å; E363-R367 PolarHBondContact O-N 2.89Å
364	W	72.9	Confident	66.8	Low	104 Å²	104	73 Å²	73	39%	0.394	36%	0.361	S	S	.	.	H	α-helix	trans	-60	-50.8	175.2	177.1	82.8	0	0	0	112	T331 F360 N366 R367 L368	T331-W364 HydrophobicContact CG2-CZ2 4.14Å; F360-W364 WeakPolarHBondContact O-CB 3.45Å; F360-W364 PolarHBondContact O-N 3Å; W364-N366 VanDerWaalsContact C-N 3.33Å; W364-N366 PolarHBondContact O-N 3.27Å; W364-R367 PolarHBondContact O-N 3.42Å; W364-L368 HydrophobicContact CD2-CD1 3.87Å; W364-L368 HydrophobicContact CE3-CD1 4.23Å; W364-L368 HydrophobicContact CH2-CD1 3.61Å; W364-L368 HydrophobicContact CZ2-CD1 3.2Å; W364-L368 HydrophobicContact CZ3-CD1 4.12Å; W364-L368 PolarHBondContact O-N 3.39Å
365	L	69.8	Low	68.3	Low	0 Å²	0	75 Å²	75	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-59.7	-42.4	176	-77.3	178.5	0	0	0	112.1	E361 L368 Y369 I397 K398	E361-L365 HydrophobicContact CG-CD1 4.32Å; E361-L365 WeakPolarHBondContact O-CB 3.5Å; E361-L365 VanDerWaalsContact O-CG 3.29Å; E361-L365 WeakPolarHBondContact O-CG 3.35Å; E361-L365 PolarHBondContact O-N 2.97Å; L365-L368 PolarHBondContact O-N 2.86Å; L365-Y369 HydrophobicContact CD2-CD2 4.17Å; L365-Y369 HydrophobicContact CD2-CE2 4.07Å; L365-Y369 WeakPolarHBondContact O-CB 2.9Å; L365-Y369 PolarHBondContact O-N 3.47Å; L365-I397 HydrophobicContact CB-CG2 3.8Å; L365-I397 HydrophobicContact CD1-CG2 4.43Å; L365-I397 HydrophobicContact CD2-CG2 3.94Å; L365-I397 HydrophobicContact CG-CG2 4.27Å; L365-K398 HydrophobicContact CD1-CG 3.82Å
366	N	77.5	Confident	69.2	Low	24 Å²	24	79.8 Å²	79.8	13%	0.128	40%	0.403	C	S	.	.	H	α-helix	trans	-64.3	-41.1	176.8	-72.1	-20.8	0	0	0	111.1	R362 E363 W364 L368 A370 L390 T394	R362-N366 VanDerWaalsContact O-CB 3.25Å; R362-N366 WeakPolarHBondContact O-CB 3.27Å; R362-N366 PolarHBondContact O-N 2.89Å; R362-N366 PolarHBondContact O-ND2 3.37Å; E363-N366 PolarHBondContact O-N 3.45Å; W364-N366 VanDerWaalsContact C-N 3.33Å; W364-N366 PolarHBondContact O-N 3.27Å; N366-L368 PolarHBondContact O-N 3.33Å; N366-A370 HydrophobicContact CB-CB 4.3Å; N366-A370 VanDerWaalsContact O-CA 3.28Å; N366-A370 WeakPolarHBondContact O-CA 3.46Å; N366-A370 WeakPolarHBondContact O-CB 3.38Å; N366-A370 PolarHBondContact O-N 2.99Å; N366-L390 HydrophobicContact CB-CD1 4.41Å; N366-T394 VanDerWaalsContact CG-OG1 3.28Å; N366-T394 PolarHBondContact ND2-OG1 3.18Å; N366-T394 WeakPolarHBondContact OD1-CB 3.48Å; N366-T394 PolarHBondContact OD1-OG1 2.84Å
367	R	77.6	Confident	71.2	Confident	205 Å²	205	79.9 Å²	79.9	77%	0.774	40%	0.396	S	S	*	.	H	α-helix	trans	-61.7	-43.5	176.1	-75.3	-179.1	-177.6	-174.7	2	112.3	E363 W364 K381	E363-R367 WeakPolarHBondContact O-CG 3.46Å; E363-R367 PolarHBondContact O-N 2.89Å; W364-R367 PolarHBondContact O-N 3.42Å; R367-K381 PolarHBondContact O-NZ 2.78Å
368	L	72.8	Confident	72.6	Confident	61 Å²	61	78.7 Å²	78.7	32%	0.319	38%	0.382	S	S	.	.	H	α-helix	trans	-70.3	-43.9	-178.5	-72.9	-178.7	0	0	0	113.2	W364 L365 N366 K381	W364-L368 HydrophobicContact CD2-CD1 3.87Å; W364-L368 HydrophobicContact CE3-CD1 4.23Å; W364-L368 HydrophobicContact CH2-CD1 3.61Å; W364-L368 HydrophobicContact CZ2-CD1 3.2Å; W364-L368 HydrophobicContact CZ3-CD1 4.12Å; W364-L368 PolarHBondContact O-N 3.39Å; L365-L368 PolarHBondContact O-N 2.86Å; N366-L368 PolarHBondContact O-N 3.33Å; L368-K381 WeakPolarHBondContact O-CD 3.34Å
369	Y	71.9	Confident	73.6	Confident	67 Å²	67	77 Å²	77	26%	0.263	37%	0.371	S	S	.	.	H	α-helix	trans	-116.5	-11.1	-166.9	-64.6	-82.2	0	0	0	114.7	L365 C380 K381 A382 I397 H400	L365-Y369 HydrophobicContact CD2-CD2 4.17Å; L365-Y369 HydrophobicContact CD2-CE2 4.07Å; L365-Y369 WeakPolarHBondContact O-CB 2.9Å; L365-Y369 PolarHBondContact O-N 3.47Å; Y369-C380 CarbonylContact O-C 3.59Å; Y369-C380 WeakPolarHBondContact O-CA 3.46Å; Y369-K381 PolarHBondContact O-N 3.34Å; Y369-A382 HydrophobicContact CD1-CB 3.74Å; Y369-A382 HydrophobicContact CE1-CB 4Å; Y369-I397 HydrophobicContact CD2-CG2 3.39Å; Y369-I397 HydrophobicContact CE2-CG2 4.24Å; Y369-I397 HydrophobicContact CG-CG1 4.5Å; Y369-I397 HydrophobicContact CG-CG2 3.65Å; Y369-H400 HydrophobicContact CE1-CB 4.44Å
370	A	80	Confident	74.5	Confident	18 Å²	18	70.1 Å²	70.1	15%	0.149	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138	175.8	0	0	0	0	0	111.7	N366 K381 L390 L393 I397	N366-A370 HydrophobicContact CB-CB 4.3Å; N366-A370 VanDerWaalsContact O-CA 3.28Å; N366-A370 WeakPolarHBondContact O-CA 3.46Å; N366-A370 WeakPolarHBondContact O-CB 3.38Å; N366-A370 PolarHBondContact O-N 2.99Å; A370-K381 VanDerWaalsContact O-CE 3.24Å; A370-K381 WeakPolarHBondContact O-CE 3.49Å; A370-L390 HydrophobicContact CB-CD1 4.46Å; A370-L393 HydrophobicContact CB-CD2 3.33Å; A370-L393 HydrophobicContact CB-CG 4.35Å; A370-I397 HydrophobicContact CB-CD1 4.14Å
371	S	81.2	Confident	75.6	Confident	47 Å²	47	69.1 Å²	69.1	33%	0.329	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.7	164.7	-172.9	0	0	0	0	107.7	Y378 V379	S371-Y378 CarbonylContact O-C 3.59Å; S371-V379 PolarHBondContact N-O 3.21Å; S371-V379 PolarHBondContact O-N 2.91Å
372	Q	81.7	Confident	76.2	Confident	113 Å²	113	71 Å²	71	53%	0.528	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.6	173.5	-174.5	173.5	-1.3	0	0	108.3	G374 Y378	Q372-G374 WeakPolarHBondContact CG-O 3.47Å; Q372-G374 PolarHBondContact NE2-O 3.34Å; Q372-Y378 HydrophobicContact CB-CD1 4.22Å; Q372-Y378 HydrophobicContact CB-CE1 4.24Å; Q372-Y378 HydrophobicContact CG-CD1 4.29Å; Q372-Y378 HydrophobicContact CG-CE1 4.06Å
373	V	79.3	Confident	76.6	Confident	95 Å²	95	68.5 Å²	68.5	58%	0.576	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	-21.6	179.7	-178.5	0	0	0	0	111	E377 V379	V373-E377 PolarHBondContact N-O 3.12Å; V373-V379 HydrophobicContact CB-CG2 4.28Å; V373-V379 HydrophobicContact CG2-CB 4.29Å; V373-V379 HydrophobicContact CG2-CG2 3.52Å
374	G	75.8	Confident	77.1	Confident	19 Å²	19	67 Å²	67	20%	0.196	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	177.5	177.7	0	0	0	0	0	113.1	Q372 N376 E377	Q372-G374 WeakPolarHBondContact CG-O 3.47Å; Q372-G374 PolarHBondContact NE2-O 3.34Å; G374-N376 PolarHBondContact O-N 3.46Å; G374-N376 VanDerWaalsContact O-N 3.07Å; G374-E377 PolarHBondContact O-N 2.82Å
375	P	70.6	Confident	77.4	Confident	115 Å²	115	68 Å²	68	75%	0.747	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.9	-172.7	21.2	-31.5	0	0	0	114.2
376	N	70.4	Confident	78	Confident	105 Å²	105	75.7 Å²	75.7	56%	0.561	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.2	33.2	174.5	-70.5	-49.7	0	0	0	111.6	G374 Q388	G374-N376 PolarHBondContact O-N 3.46Å; G374-N376 VanDerWaalsContact O-N 3.07Å; N376-Q388 CarbonylContact O-C 3.37Å; N376-Q388 WeakPolarHBondContact O-CA 3.33Å
377	E	80.1	Confident	78.2	Confident	81 Å²	81	76.6 Å²	76.6	38%	0.379	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	110.9	-177.6	-65.8	-166.7	162.5	0	0	111.3	V373 G374 R386	V373-E377 PolarHBondContact N-O 3.12Å; G374-E377 PolarHBondContact O-N 2.82Å; E377-R386 IonicContact OE1-NH2 3.75Å; E377-R386 IonicContact OE2-CZ 3.16Å; E377-R386 IonicContact OE2-NE 3.72Å; E377-R386 IonicContact OE2-NH2 2.63Å; E377-R386 PolarHBondContact OE2-NH2 3.34Å
378	Y	81.9	Confident	78.3	Confident	41 Å²	41	74 Å²	74	16%	0.161	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.9	-178.6	-61.9	-83.8	0	0	0	109.7	S371 Q372 R386 F387 L390 L393	S371-Y378 CarbonylContact O-C 3.59Å; Q372-Y378 HydrophobicContact CB-CD1 4.22Å; Q372-Y378 HydrophobicContact CB-CE1 4.24Å; Q372-Y378 HydrophobicContact CG-CD1 4.29Å; Q372-Y378 HydrophobicContact CG-CE1 4.06Å; Y378-R386 CarbonylContact O-C 3.26Å; Y378-R386 WeakPolarHBondContact O-CA 3.28Å; Y378-F387 PolarHBondContact N-O 3.33Å; Y378-F387 PolarHBondContact O-N 2.86Å; Y378-L390 HydrophobicContact CD1-CB 4.29Å; Y378-L390 HydrophobicContact CD1-CD1 3.79Å; Y378-L390 HydrophobicContact CD2-CB 4.26Å; Y378-L390 VanDerWaalsContact CD2-N 3.27Å; Y378-L390 HydrophobicContact CE1-CB 3.95Å; Y378-L390 HydrophobicContact CE1-CD1 3.88Å; Y378-L390 HydrophobicContact CE1-CG 4.35Å; Y378-L390 HydrophobicContact CE2-CB 3.9Å; Y378-L390 VanDerWaalsContact CE2-N 3.26Å; Y378-L390 HydrophobicContact CG-CB 4.42Å; Y378-L390 HydrophobicContact CG-CD1 4.38Å; Y378-L393 HydrophobicContact CG-CD2 4.49Å
379	V	82.1	Confident	78.7	Confident	24 Å²	24	74.1 Å²	74.1	15%	0.145	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.4	-177.2	-173.5	0	0	0	0	109.2	S371 V373 K381 K385 R386	S371-V379 PolarHBondContact N-O 3.21Å; S371-V379 PolarHBondContact O-N 2.91Å; V373-V379 HydrophobicContact CB-CG2 4.28Å; V373-V379 HydrophobicContact CG2-CB 4.29Å; V373-V379 HydrophobicContact CG2-CG2 3.52Å; V379-K381 PolarHBondContact O-N 2.71Å; V379-K385 WeakPolarHBondContact CA-O 3.34Å; V379-R386 HydrophobicContact CG2-CG 4.03Å
380	C	82.5	Confident	79.1	Confident	0 Å²	0	74 Å²	74	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	118.3	171.8	-174.2	0	0	0	0	110.5	Y369 A382 C383 G384 K385 F387 L393 H400	Y369-C380 CarbonylContact O-C 3.59Å; Y369-C380 WeakPolarHBondContact O-CA 3.46Å; C380-A382 PolarHBondContact O-N 2.68Å; C380-C383 VanDerWaalsContact CB-SG 3.59Å; C380-C383 PolarHBondContact O-N 3.35Å; C380-G384 VanDerWaalsContact O-CA 3.31Å; C380-G384 WeakPolarHBondContact O-CA 3.36Å; C380-G384 PolarHBondContact O-N 2.94Å; C380-K385 PolarHBondContact N-O 3.25Å; C380-F387 HydrophobicContact CB-CE2 4.48Å; C380-L393 HydrophobicContact CB-CD1 3.57Å; C380-H400 PolarHBondContact SG-CD2 3.02Å; C380-H400 PolarHBondContact SG-NE2 3.09Å
381	K	81.2	Confident	78.9	Confident	129 Å²	129	82 Å²	82	56%	0.561	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.5	175.6	-69	174.4	175.6	170.9	0	113.2	R367 L368 Y369 A370 V379	R367-K381 PolarHBondContact O-NZ 2.78Å; L368-K381 WeakPolarHBondContact O-CD 3.34Å; Y369-K381 PolarHBondContact O-N 3.34Å; A370-K381 VanDerWaalsContact O-CE 3.24Å; A370-K381 WeakPolarHBondContact O-CE 3.49Å; V379-K381 PolarHBondContact O-N 2.71Å
382	A	72.9	Confident	78.7	Confident	57 Å²	57	82 Å²	82	47%	0.471	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-23.7	-178.2	0	0	0	0	0	114.7	Y369 C380	Y369-A382 HydrophobicContact CD1-CB 3.74Å; Y369-A382 HydrophobicContact CE1-CB 4Å; C380-A382 PolarHBondContact O-N 2.68Å
383	C	76.6	Confident	78.6	Confident	53 Å²	53	76.7 Å²	76.7	36%	0.358	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.7	0.3	-175	73.7	0	0	0	0	115.2	C380 K385 H396	C380-C383 VanDerWaalsContact CB-SG 3.59Å; C380-C383 PolarHBondContact O-N 3.35Å; C383-K385 PolarHBondContact O-N 3.03Å; C383-K385 VanDerWaalsContact O-N 3.13Å; C383-K385 VanDerWaalsContact SG-CG 3.56Å; C383-H396 VanDerWaalsContact SG-CE1 3.57Å; C383-H396 PolarHBondContact SG-NE2 3.44Å
384	G	79.7	Confident	78.4	Confident	48 Å²	48	72.7 Å²	72.7	50%	0.495	37%	0.372	S	S	.	.			trans	71.2	-1.4	-179.6	0	0	0	0	0	115.6	C380 R386	C380-G384 VanDerWaalsContact O-CA 3.31Å; C380-G384 WeakPolarHBondContact O-CA 3.36Å; C380-G384 PolarHBondContact O-N 2.94Å; G384-R386 PolarHBondContact O-N 3.36Å
385	K	79.1	Confident	78.1	Confident	126 Å²	126	79 Å²	79	55%	0.548	39%	0.39	S	S	.	.			trans	-65.8	133.8	-178.8	-70.4	-174.6	-178.5	-167.4	0	111.5	V379 C380 C383 F387	V379-K385 WeakPolarHBondContact CA-O 3.34Å; C380-K385 PolarHBondContact N-O 3.25Å; C383-K385 PolarHBondContact O-N 3.03Å; C383-K385 VanDerWaalsContact O-N 3.13Å; C383-K385 VanDerWaalsContact SG-CG 3.56Å; K385-F387 HydrophobicContact CB-CE2 3.66Å; K385-F387 HydrophobicContact CB-CZ 3.91Å; K385-F387 WeakPolarHBondContact O-CD2 3.38Å; K385-F387 WeakPolarHBondContact O-CE2 3.19Å
386	R	84.1	Confident	78.3	Confident	161 Å²	161	75 Å²	75	61%	0.608	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	141.4	-180	-52.1	177.9	76.2	153.1	-1.8	110.3	E377 Y378 V379 G384	E377-R386 IonicContact OE1-NH2 3.75Å; E377-R386 IonicContact OE2-CZ 3.16Å; E377-R386 IonicContact OE2-NE 3.72Å; E377-R386 IonicContact OE2-NH2 2.63Å; E377-R386 PolarHBondContact OE2-NH2 3.34Å; Y378-R386 CarbonylContact O-C 3.26Å; Y378-R386 WeakPolarHBondContact O-CA 3.28Å; V379-R386 HydrophobicContact CG2-CG 4.03Å; G384-R386 PolarHBondContact O-N 3.36Å
387	F	80.2	Confident	78.3	Confident	43 Å²	43	70 Å²	70	19%	0.189	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.1	-179.9	-61.8	-87	0	0	0	109.6	Y378 C380 K385 L389 L392 L393 H396	Y378-F387 PolarHBondContact N-O 3.33Å; Y378-F387 PolarHBondContact O-N 2.86Å; C380-F387 HydrophobicContact CB-CE2 4.48Å; K385-F387 HydrophobicContact CB-CE2 3.66Å; K385-F387 HydrophobicContact CB-CZ 3.91Å; K385-F387 WeakPolarHBondContact O-CD2 3.38Å; K385-F387 WeakPolarHBondContact O-CE2 3.19Å; F387-L389 VanDerWaalsContact C-N 3.28Å; F387-L389 PolarHBondContact O-N 3.19Å; F387-L392 HydrophobicContact CB-CB 4.27Å; F387-L392 HydrophobicContact CD1-CB 3.91Å; F387-L392 HydrophobicContact CG-CB 4.42Å; F387-L393 HydrophobicContact CB-CB 4.06Å; F387-L393 HydrophobicContact CD2-CB 3.86Å; F387-L393 HydrophobicContact CD2-CD1 3.53Å; F387-L393 HydrophobicContact CD2-CG 4.23Å; F387-L393 HydrophobicContact CE2-CD1 3.68Å; F387-L393 HydrophobicContact CG-CB 4.06Å; F387-H396 HydrophobicContact CE1-CB 3.92Å; F387-H396 HydrophobicContact CE2-CB 3.85Å; F387-H396 AromaticContact CE2-CD2 3.6Å; F387-H396 AromaticContact CE2-CG 3.61Å; F387-H396 HydrophobicContact CZ-CB 3.39Å; F387-H396 AromaticContact CZ-CD2 3.73Å; F387-H396 AromaticContact CZ-CG 3.25Å; F387-H396 AromaticContact CZ-ND1 3.64Å
388	Q	81.1	Confident	77.7	Confident	151 Å²	151	66.5 Å²	66.5	71%	0.706	32%	0.318	S	S	*	.	S	Bend	trans	-75	-17.2	-179.8	-67.5	179.9	-12.7	0	0	113.7	N376	N376-Q388 CarbonylContact O-C 3.37Å; N376-Q388 WeakPolarHBondContact O-CA 3.33Å
389	L	79.7	Confident	76.8	Confident	64 Å²	64	67.7 Å²	67.7	34%	0.335	33%	0.332	S	S	.	.	S	Bend	trans	-139	137.9	-174.3	-64.5	169.5	0	0	0	110.7	F387 R391 L392 L393	F387-L389 VanDerWaalsContact C-N 3.28Å; F387-L389 PolarHBondContact O-N 3.19Å; L389-R391 HydrophobicContact CB-CG 3.99Å; L389-R391 HydrophobicContact CD1-CG 4.48Å; L389-R391 PolarHBondContact O-N 3.37Å; L389-L392 HydrophobicContact CB-CD1 4.19Å; L389-L392 HydrophobicContact CB-CG 4.15Å; L389-L392 HydrophobicContact CD1-CD1 4.32Å; L389-L392 WeakPolarHBondContact O-CB 3.3Å; L389-L392 PolarHBondContact O-N 2.9Å; L389-L393 PolarHBondContact O-N 2.95Å
390	L	80.5	Confident	75.9	Confident	63 Å²	63	69.5 Å²	69.5	33%	0.33	34%	0.339	S	S	.	.	H	α-helix	trans	-55.1	-39.5	177.3	-174.9	60.7	0	0	0	111.5	N366 A370 Y378 L392 L393 T394	N366-L390 HydrophobicContact CB-CD1 4.41Å; A370-L390 HydrophobicContact CB-CD1 4.46Å; Y378-L390 HydrophobicContact CD1-CB 4.29Å; Y378-L390 HydrophobicContact CD1-CD1 3.79Å; Y378-L390 HydrophobicContact CD2-CB 4.26Å; Y378-L390 VanDerWaalsContact CD2-N 3.27Å; Y378-L390 HydrophobicContact CE1-CB 3.95Å; Y378-L390 HydrophobicContact CE1-CD1 3.88Å; Y378-L390 HydrophobicContact CE1-CG 4.35Å; Y378-L390 HydrophobicContact CE2-CB 3.9Å; Y378-L390 VanDerWaalsContact CE2-N 3.26Å; Y378-L390 HydrophobicContact CG-CB 4.42Å; Y378-L390 HydrophobicContact CG-CD1 4.38Å; L390-L392 VanDerWaalsContact C-N 3.25Å; L390-L392 PolarHBondContact O-N 3Å; L390-L393 CarbonylContact O-C 3.56Å; L390-L393 PolarHBondContact O-N 2.78Å; L390-L393 VanDerWaalsContact O-N 3.15Å; L390-T394 PolarHBondContact O-N 2.89Å; L390-T394 PolarHBondContact O-OG1 3.3Å
391	R	77.2	Confident	74.8	Confident	186 Å²	186	70.9 Å²	70.9	70%	0.702	35%	0.348	S	S	*	.	H	α-helix	trans	-57.7	-35.9	177.4	73.5	-176.9	-179.8	172.8	-3.7	113.5	L389 R395	L389-R391 HydrophobicContact CB-CG 3.99Å; L389-R391 HydrophobicContact CD1-CG 4.48Å; L389-R391 PolarHBondContact O-N 3.37Å; R391-R395 WeakPolarHBondContact O-CB 3.39Å; R391-R395 PolarHBondContact O-N 3.48Å; R391-R395 VanDerWaalsContact O-N 3.17Å
392	L	76.6	Confident	73.8	Confident	49 Å²	49	70.4 Å²	70.4	26%	0.257	35%	0.348	S	S	.	.	H	α-helix	trans	-75.1	-41.5	179.5	-64.3	176.3	0	0	0	109.9	F387 L389 L390 R395 H396	F387-L392 HydrophobicContact CB-CB 4.27Å; F387-L392 HydrophobicContact CD1-CB 3.91Å; F387-L392 HydrophobicContact CG-CB 4.42Å; L389-L392 HydrophobicContact CB-CD1 4.19Å; L389-L392 HydrophobicContact CB-CG 4.15Å; L389-L392 HydrophobicContact CD1-CD1 4.32Å; L389-L392 WeakPolarHBondContact O-CB 3.3Å; L389-L392 PolarHBondContact O-N 2.9Å; L390-L392 VanDerWaalsContact C-N 3.25Å; L390-L392 PolarHBondContact O-N 3Å; L392-R395 PolarHBondContact O-N 3.04Å; L392-H396 WeakPolarHBondContact O-CB 3.44Å; L392-H396 PolarHBondContact O-N 3.43Å
393	L	78.9	Confident	73.2	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-46.5	173.4	177.1	60.5	0	0	0	111.6	A370 Y378 C380 F387 L389 L390 R395 H396 I397	A370-L393 HydrophobicContact CB-CD2 3.33Å; A370-L393 HydrophobicContact CB-CG 4.35Å; Y378-L393 HydrophobicContact CG-CD2 4.49Å; C380-L393 HydrophobicContact CB-CD1 3.57Å; F387-L393 HydrophobicContact CB-CB 4.06Å; F387-L393 HydrophobicContact CD2-CB 3.86Å; F387-L393 HydrophobicContact CD2-CD1 3.53Å; F387-L393 HydrophobicContact CD2-CG 4.23Å; F387-L393 HydrophobicContact CE2-CD1 3.68Å; F387-L393 HydrophobicContact CG-CB 4.06Å; L389-L393 PolarHBondContact O-N 2.95Å; L390-L393 CarbonylContact O-C 3.56Å; L390-L393 PolarHBondContact O-N 2.78Å; L390-L393 VanDerWaalsContact O-N 3.15Å; L393-R395 VanDerWaalsContact C-N 3.26Å; L393-R395 PolarHBondContact O-N 2.92Å; L393-H396 CarbonylContact O-C 3.49Å; L393-H396 WeakPolarHBondContact O-CA 3.37Å; L393-H396 WeakPolarHBondContact O-CB 3.27Å; L393-H396 PolarHBondContact O-N 3.3Å; L393-I397 HydrophobicContact CD1-CD1 3.88Å; L393-I397 HydrophobicContact CD1-CG1 3.77Å; L393-I397 HydrophobicContact CD2-CD1 4.11Å; L393-I397 HydrophobicContact CG-CD1 3.59Å; L393-I397 HydrophobicContact CG-CG1 4.01Å; L393-I397 VanDerWaalsContact O-CG1 3.29Å; L393-I397 WeakPolarHBondContact O-CG1 3.39Å; L393-I397 PolarHBondContact O-N 2.96Å
394	T	74.4	Confident	72.7	Confident	12 Å²	12	68.4 Å²	68.4	7%	0.074	32%	0.324	C	S	.	.	H	α-helix	trans	-57.2	-41	176.5	-53	0	0	0	0	111.4	R362 N366 L390 H396 I397 K398	R362-T394 HydrophobicContact CB-CG2 3.97Å; R362-T394 HydrophobicContact CG-CG2 3.8Å; N366-T394 VanDerWaalsContact CG-OG1 3.28Å; N366-T394 PolarHBondContact ND2-OG1 3.18Å; N366-T394 WeakPolarHBondContact OD1-CB 3.48Å; N366-T394 PolarHBondContact OD1-OG1 2.84Å; L390-T394 PolarHBondContact O-N 2.89Å; L390-T394 PolarHBondContact O-OG1 3.3Å; T394-H396 VanDerWaalsContact C-N 3.32Å; T394-H396 PolarHBondContact O-N 3.16Å; T394-I397 PolarHBondContact O-N 3.4Å; T394-K398 WeakPolarHBondContact O-CG 2.96Å; T394-K398 PolarHBondContact O-N 3.27Å; T394-K398 VanDerWaalsContact O-N 3.15Å
395	R	70.2	Confident	71.9	Confident	152 Å²	152	69.9 Å²	69.9	57%	0.574	32%	0.315	S	S	*	.	H	α-helix	trans	-63.7	-38.9	174.2	-178.1	176.5	65.8	171.9	1.5	111.8	R391 L392 L393 N416	R391-R395 WeakPolarHBondContact O-CB 3.39Å; R391-R395 PolarHBondContact O-N 3.48Å; R391-R395 VanDerWaalsContact O-N 3.17Å; L392-R395 PolarHBondContact O-N 3.04Å; L393-R395 VanDerWaalsContact C-N 3.26Å; L393-R395 PolarHBondContact O-N 2.92Å; R395-N416 PolarHBondContact O-ND2 2.67Å; R395-N416 VanDerWaalsContact O-ND2 3.17Å
396	H	75.3	Confident	71.2	Confident	29 Å²	29	66.2 Å²	66.2	13%	0.134	30%	0.298	C	S	.	.	H	α-helix	trans	-68.3	-44	175.8	170	75.1	0	0	0	112.5	C383 F387 L392 L393 T394 K398 C399 H400	C383-H396 VanDerWaalsContact SG-CE1 3.57Å; C383-H396 PolarHBondContact SG-NE2 3.44Å; F387-H396 HydrophobicContact CE1-CB 3.92Å; F387-H396 HydrophobicContact CE2-CB 3.85Å; F387-H396 AromaticContact CE2-CD2 3.6Å; F387-H396 AromaticContact CE2-CG 3.61Å; F387-H396 HydrophobicContact CZ-CB 3.39Å; F387-H396 AromaticContact CZ-CD2 3.73Å; F387-H396 AromaticContact CZ-CG 3.25Å; F387-H396 AromaticContact CZ-ND1 3.64Å; L392-H396 WeakPolarHBondContact O-CB 3.44Å; L392-H396 PolarHBondContact O-N 3.43Å; L393-H396 CarbonylContact O-C 3.49Å; L393-H396 WeakPolarHBondContact O-CA 3.37Å; L393-H396 WeakPolarHBondContact O-CB 3.27Å; L393-H396 PolarHBondContact O-N 3.3Å; T394-H396 VanDerWaalsContact C-N 3.32Å; T394-H396 PolarHBondContact O-N 3.16Å; H396-K398 PolarHBondContact O-N 2.9Å; H396-C399 WeakPolarHBondContact O-CA 3.3Å; H396-C399 WeakPolarHBondContact O-CB 3.42Å; H396-C399 PolarHBondContact O-N 2.82Å; H396-H400 AromaticContact CD2-NE2 3.79Å; H396-H400 AromaticContact CE1-NE2 3.61Å; H396-H400 AromaticContact NE2-CD2 3.73Å; H396-H400 AromaticContact NE2-CE1 3.83Å; H396-H400 AromaticContact NE2-NE2 2.95Å; H396-H400 PolarHBondContact NE2-NE2 2.96Å
397	I	69.8	Low	70.1	Confident	0 Å²	0	60 Å²	60	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-36.8	179.2	-67.9	165.7	0	0	0	111	L365 Y369 A370 L393 T394 C399 H400 S401	L365-I397 HydrophobicContact CB-CG2 3.8Å; L365-I397 HydrophobicContact CD1-CG2 4.43Å; L365-I397 HydrophobicContact CD2-CG2 3.94Å; L365-I397 HydrophobicContact CG-CG2 4.27Å; Y369-I397 HydrophobicContact CD2-CG2 3.39Å; Y369-I397 HydrophobicContact CE2-CG2 4.24Å; Y369-I397 HydrophobicContact CG-CG1 4.5Å; Y369-I397 HydrophobicContact CG-CG2 3.65Å; A370-I397 HydrophobicContact CB-CD1 4.14Å; L393-I397 HydrophobicContact CD1-CD1 3.88Å; L393-I397 HydrophobicContact CD1-CG1 3.77Å; L393-I397 HydrophobicContact CD2-CD1 4.11Å; L393-I397 HydrophobicContact CG-CD1 3.59Å; L393-I397 HydrophobicContact CG-CG1 4.01Å; L393-I397 VanDerWaalsContact O-CG1 3.29Å; L393-I397 WeakPolarHBondContact O-CG1 3.39Å; L393-I397 PolarHBondContact O-N 2.96Å; T394-I397 PolarHBondContact O-N 3.4Å; I397-C399 PolarHBondContact O-N 3.15Å; I397-C399 VanDerWaalsContact O-N 3.12Å; I397-H400 WeakPolarHBondContact O-CA 3.38Å; I397-H400 WeakPolarHBondContact O-CB 3.49Å; I397-H400 PolarHBondContact O-N 2.84Å; I397-S401 PolarHBondContact O-N 3.45Å; I397-S401 VanDerWaalsContact O-N 3.14Å
398	K	66.9	Low	69.6	Low	8 Å²	8	57.9 Å²	57.9	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-55	-30.1	173.5	-77.8	174	171	-65.5	0	112.8	E361 L365 T394 H396 H400 S401 Q402	E361-K398 IonicContact OE1-NZ 3.93Å; E361-K398 PolarHBondContact OE1-NZ 3.28Å; E361-K398 IonicContact OE2-NZ 3.95Å; E361-K398 PolarHBondContact OE2-NZ 3.01Å; L365-K398 HydrophobicContact CD1-CG 3.82Å; T394-K398 WeakPolarHBondContact O-CG 2.96Å; T394-K398 PolarHBondContact O-N 3.27Å; T394-K398 VanDerWaalsContact O-N 3.15Å; H396-K398 PolarHBondContact O-N 2.9Å; K398-H400 VanDerWaalsContact C-N 3.32Å; K398-H400 PolarHBondContact O-N 3.1Å; K398-S401 WeakPolarHBondContact CA-OG 3.3Å; K398-S401 PolarHBondContact O-OG 2.8Å; K398-Q402 PolarHBondContact O-N 2.93Å
399	C	64.1	Low	69	Low	66 Å²	66	55.3 Å²	55.3	45%	0.446	25%	0.254	S	S	.	.	H	α-helix	trans	-69.2	-27.1	174.4	-54.9	0	0	0	0	113.5	H396 I397 N416	H396-C399 WeakPolarHBondContact O-CA 3.3Å; H396-C399 WeakPolarHBondContact O-CB 3.42Å; H396-C399 PolarHBondContact O-N 2.82Å; I397-C399 PolarHBondContact O-N 3.15Å; I397-C399 VanDerWaalsContact O-N 3.12Å; C399-N416 PolarHBondContact SG-ND2 3.47Å
400	H	63.8	Low	68.3	Low	63 Å²	63	55.4 Å²	55.4	29%	0.292	25%	0.252	S	S	.	.	H	α-helix	trans	-77.8	-43.5	174.1	-65.5	-53.6	0	0	0	111.5	Y369 C380 H396 I397 K398 Q402	Y369-H400 HydrophobicContact CE1-CB 4.44Å; C380-H400 PolarHBondContact SG-CD2 3.02Å; C380-H400 PolarHBondContact SG-NE2 3.09Å; H396-H400 AromaticContact CD2-NE2 3.79Å; H396-H400 AromaticContact CE1-NE2 3.61Å; H396-H400 AromaticContact NE2-CD2 3.73Å; H396-H400 AromaticContact NE2-CE1 3.83Å; H396-H400 AromaticContact NE2-NE2 2.95Å; H396-H400 PolarHBondContact NE2-NE2 2.96Å; I397-H400 WeakPolarHBondContact O-CA 3.38Å; I397-H400 WeakPolarHBondContact O-CB 3.49Å; I397-H400 PolarHBondContact O-N 2.84Å; K398-H400 VanDerWaalsContact C-N 3.32Å; K398-H400 PolarHBondContact O-N 3.1Å; H400-Q402 PolarHBondContact O-N 3.04Å; H400-Q402 VanDerWaalsContact O-N 3.14Å
401	S	59.1	Low	67.7	Low	28 Å²	28	55.1 Å²	55.1	20%	0.196	25%	0.254	C	S	.	.	H	α-helix	trans	-68.9	-10.1	-177.2	62.6	0	0	0	0	114.5	I397 K398 L403	I397-S401 PolarHBondContact O-N 3.45Å; I397-S401 VanDerWaalsContact O-N 3.14Å; K398-S401 WeakPolarHBondContact CA-OG 3.3Å; K398-S401 PolarHBondContact O-OG 2.8Å; S401-L403 PolarHBondContact O-N 2.6Å; S401-L403 WeakPolarHBondContact OG-CB 3.26Å; S401-L403 PolarHBondContact OG-N 3.35Å
402	Q	60	Low	67.1	Low	120 Å²	120	51.8 Å²	51.8	56%	0.561	25%	0.245	S	C	*	.			trans	55.7	8.1	-169.9	-51.7	-176.7	20.4	0	0	114	K398 H400 H404	K398-Q402 PolarHBondContact O-N 2.93Å; H400-Q402 PolarHBondContact O-N 3.04Å; H400-Q402 VanDerWaalsContact O-N 3.14Å; Q402-H404 PolarHBondContact O-N 3.42Å
403	L	60.2	Low	66.6	Low	33 Å²	33	55.5 Å²	55.5	17%	0.173	26%	0.259	C	S	.	.			trans	-79.5	63	174.7	-62.2	175.4	0	0	0	110.6	L354 S401	L354-L403 HydrophobicContact CB-CD2 4.07Å; S401-L403 PolarHBondContact O-N 2.6Å; S401-L403 WeakPolarHBondContact OG-CB 3.26Å; S401-L403 PolarHBondContact OG-N 3.35Å
404	H	64.8	Low	65.9	Low	35 Å²	35	56.1 Å²	56.1	16%	0.162	27%	0.266	C	S	.	.			trans	-74.6	133.5	173.9	-67.4	-62.2	0	0	0	110.5	N352 A355 Q402 Y406 L407 G414 N416	N352-H404 WeakPolarHBondContact CB-O 3.19Å; N352-H404 PolarHBondContact ND2-O 3.43Å; N352-H404 VanDerWaalsContact ND2-O 3.09Å; A355-H404 WeakPolarHBondContact CB-O 3.32Å; Q402-H404 PolarHBondContact O-N 3.42Å; H404-Y406 VanDerWaalsContact C-N 3.25Å; H404-Y406 PolarHBondContact O-N 2.97Å; H404-L407 HydrophobicContact CB-CD2 4.32Å; H404-G414 VanDerWaalsContact CB-C 3.47Å; H404-G414 WeakPolarHBondContact CD2-CA 3.13Å; H404-N416 PolarHBondContact ND1-OD1 3.4Å
405	R	64.7	Low	65.6	Low	78 Å²	78	56.9 Å²	56.9	29%	0.294	27%	0.268	S	S	.	.	S	Bend	trans	-63.3	-32.5	-179.7	-72.8	-177.2	178	178.9	1.9	113.6	K351 N352 A355 F415	K351-R405 WeakPolarHBondContact CA-O 3.21Å; N352-R405 PolarHBondContact N-O 3.5Å; A355-R405 HydrophobicContact CB-CB 4.35Å; A355-R405 HydrophobicContact CB-CG 4Å; R405-F415 PolarHBondContact N-O 3.08Å
406	Y	63.8	Low	65.4	Low	49 Å²	49	51 Å²	51	19%	0.192	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.6	-173.4	-57.9	-73.1	0	0	0	109.5	I350 K351 H404 G414 F415 D417 T418 L421	I350-Y406 CarbonylContact O-C 3.41Å; I350-Y406 WeakPolarHBondContact O-CA 3.36Å; K351-Y406 HydrophobicContact CG-CD1 4.17Å; K351-Y406 HydrophobicContact CG-CE1 3.94Å; H404-Y406 VanDerWaalsContact C-N 3.25Å; H404-Y406 PolarHBondContact O-N 2.97Å; Y406-G414 CarbonylContact O-C 3.59Å; Y406-G414 WeakPolarHBondContact O-CA 3.32Å; Y406-F415 PolarHBondContact N-O 2.95Å; Y406-F415 PolarHBondContact O-N 3.48Å; Y406-D417 VanDerWaalsContact CD2-C 3.44Å; Y406-T418 HydrophobicContact CD1-CG2 4.08Å; Y406-T418 HydrophobicContact CD2-CG2 4.17Å; Y406-T418 HydrophobicContact CE1-CG2 3.49Å; Y406-T418 VanDerWaalsContact CE1-CG2 3.49Å; Y406-T418 HydrophobicContact CE2-CG2 3.59Å; Y406-T418 HydrophobicContact CG-CG2 4.39Å; Y406-T418 WeakPolarHBondContact OH-CG2 3.39Å; Y406-L421 HydrophobicContact CD1-CD2 4.46Å; Y406-L421 HydrophobicContact CG-CD2 4.28Å
407	L	61.1	Low	65.1	Low	30 Å²	30	53.4 Å²	53.4	16%	0.157	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.7	175.6	-55.7	173.8	0	0	0	108.8	I350 N352 H404 K409	I350-L407 HydrophobicContact CB-CB 4.25Å; I350-L407 PolarHBondContact N-O 3.48Å; I350-L407 PolarHBondContact O-N 3.11Å; N352-L407 HydrophobicContact CB-CD1 4.28Å; N352-L407 HydrophobicContact CB-CG 4.25Å; H404-L407 HydrophobicContact CB-CD2 4.32Å; L407-K409 PolarHBondContact O-N 3.4Å
408	C	70.4	Confident	65.4	Low	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.282	C	S	.	.			trans	-64.1	125.8	169.5	-176.7	0	0	0	0	110	F410 F412 K413 F415 L421 H424 H428	C408-F410 PolarHBondContact O-N 2.81Å; C408-F410 VanDerWaalsContact O-N 3.13Å; C408-F410 PolarHBondContact SG-N 2.76Å; C408-F410 VanDerWaalsContact SG-N 3.4Å; C408-F412 WeakPolarHBondContact O-CA 3.32Å; C408-F412 PolarHBondContact O-N 3.33Å; C408-K413 PolarHBondContact N-O 3.43Å; C408-F415 HydrophobicContact CB-CE2 4.07Å; C408-L421 HydrophobicContact CB-CD1 4Å; C408-H424 WeakPolarHBondContact CB-NE2 3.3Å; C408-H424 PolarHBondContact SG-CD2 3.19Å; C408-H424 PolarHBondContact SG-NE2 3.12Å; C408-H428 VanDerWaalsContact SG-CD2 3.52Å
409	K	68.6	Low	65.9	Low	96 Å²	96	62.4 Å²	62.4	42%	0.417	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.7	176.3	68.2	178.7	-173.6	175.2	0	114.4	I350 L407	I350-K409 HydrophobicContact CD1-CB 4.49Å; I350-K409 HydrophobicContact CG1-CB 4.47Å; L407-K409 PolarHBondContact O-N 3.4Å
410	F	64.2	Low	66.5	Low	67 Å²	67	61.8 Å²	61.8	29%	0.294	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-30.9	-175.2	-60.5	-69	0	0	0	114	C408 H428 T429	C408-F410 PolarHBondContact O-N 2.81Å; C408-F410 VanDerWaalsContact O-N 3.13Å; C408-F410 PolarHBondContact SG-N 2.76Å; C408-F410 VanDerWaalsContact SG-N 3.4Å; F410-H428 HydrophobicContact CB-CB 4.09Å; F410-H428 VanDerWaalsContact CB-CG 3.47Å; F410-H428 HydrophobicContact CD1-CB 4.46Å; F410-H428 HydrophobicContact CD2-CB 3.37Å; F410-H428 AromaticContact CD2-CD2 3.69Å; F410-H428 AromaticContact CD2-CG 3.56Å; F410-H428 HydrophobicContact CE2-CB 3.77Å; F410-H428 HydrophobicContact CG-CB 3.74Å; F410-H428 AromaticContact CG-CG 3.7Å; F410-H428 HydrophobicContact CZ-CB 4.45Å; F410-T429 HydrophobicContact CE2-CG2 4.16Å; F410-T429 HydrophobicContact CZ-CG2 4.19Å
411	C	68.5	Low	67.2	Low	57 Å²	57	59 Å²	59	39%	0.385	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135	3.7	-178.1	67.2	0	0	0	0	113.9	K413 H424 H428	C411-K413 PolarHBondContact O-N 3.21Å; C411-K413 WeakPolarHBondContact SG-CB 3.46Å; C411-H424 VanDerWaalsContact SG-CE1 3.56Å; C411-H424 PolarHBondContact SG-NE2 3.43Å; C411-H428 PolarHBondContact SG-NE2 2.91Å
412	F	62.9	Low	68.2	Low	115 Å²	115	63.5 Å²	63.5	50%	0.504	30%	0.303	S	S	.	.			trans	55.9	11.5	-177.8	-57.7	-78.8	0	0	0	115.3	I350 C408 G414	I350-F412 HydrophobicContact CD1-CD1 4.4Å; I350-F412 HydrophobicContact CD1-CE1 3.85Å; C408-F412 WeakPolarHBondContact O-CA 3.32Å; C408-F412 PolarHBondContact O-N 3.33Å; F412-G414 PolarHBondContact O-N 3.48Å
413	K	66.6	Low	69.2	Low	128 Å²	128	62.3 Å²	62.3	56%	0.557	29%	0.293	S	S	*	.			trans	-60.4	131	170.9	-172.2	168.5	-176.6	172.9	0	109.3	C408 C411 F415	C408-K413 PolarHBondContact N-O 3.43Å; C411-K413 PolarHBondContact O-N 3.21Å; C411-K413 WeakPolarHBondContact SG-CB 3.46Å; K413-F415 HydrophobicContact CB-CE2 3.92Å; K413-F415 HydrophobicContact CB-CZ 4.2Å; K413-F415 HydrophobicContact CD-CE2 4.48Å; K413-F415 HydrophobicContact CD-CZ 3.92Å; K413-F415 HydrophobicContact CG-CE2 3.95Å; K413-F415 HydrophobicContact CG-CZ 3.83Å; K413-F415 WeakPolarHBondContact O-CD2 3.22Å; K413-F415 WeakPolarHBondContact O-CE2 3.33Å
414	G	63.9	Low	70.2	Confident	13 Å²	13	61.9 Å²	61.9	13%	0.134	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	143	-177.5	0	0	0	0	0	113.7	H404 Y406 F412	H404-G414 VanDerWaalsContact CB-C 3.47Å; H404-G414 WeakPolarHBondContact CD2-CA 3.13Å; Y406-G414 CarbonylContact O-C 3.59Å; Y406-G414 WeakPolarHBondContact O-CA 3.32Å; F412-G414 PolarHBondContact O-N 3.48Å
415	F	68.8	Low	70.9	Confident	27 Å²	27	61.2 Å²	61.2	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.1	180	-61.3	-84	0	0	0	109.8	R405 Y406 C408 K413 D420 L421 H424	R405-F415 PolarHBondContact N-O 3.08Å; Y406-F415 PolarHBondContact N-O 2.95Å; Y406-F415 PolarHBondContact O-N 3.48Å; C408-F415 HydrophobicContact CB-CE2 4.07Å; K413-F415 HydrophobicContact CB-CE2 3.92Å; K413-F415 HydrophobicContact CB-CZ 4.2Å; K413-F415 HydrophobicContact CD-CE2 4.48Å; K413-F415 HydrophobicContact CD-CZ 3.92Å; K413-F415 HydrophobicContact CG-CE2 3.95Å; K413-F415 HydrophobicContact CG-CZ 3.83Å; K413-F415 WeakPolarHBondContact O-CD2 3.22Å; K413-F415 WeakPolarHBondContact O-CE2 3.33Å; F415-D420 HydrophobicContact CB-CB 4.33Å; F415-D420 HydrophobicContact CD1-CB 3.79Å; F415-D420 HydrophobicContact CG-CB 4.42Å; F415-L421 HydrophobicContact CB-CB 4Å; F415-L421 HydrophobicContact CD2-CB 4.09Å; F415-L421 HydrophobicContact CD2-CD1 3.8Å; F415-L421 HydrophobicContact CE2-CD1 4.24Å; F415-L421 HydrophobicContact CG-CB 4.08Å; F415-H424 HydrophobicContact CE1-CB 3.66Å; F415-H424 AromaticContact CE1-CG 3.95Å; F415-H424 HydrophobicContact CE2-CB 3.92Å; F415-H424 AromaticContact CE2-CD2 3.19Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.34Å; F415-H424 AromaticContact CE2-CG 3.57Å; F415-H424 AromaticContact CE2-NE2 3.81Å; F415-H424 HydrophobicContact CZ-CB 3.32Å; F415-H424 AromaticContact CZ-CD2 3.26Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.39Å; F415-H424 AromaticContact CZ-CG 3.1Å; F415-H424 AromaticContact CZ-ND1 3.66Å; F415-H424 AromaticContact CZ-NE2 3.86Å
416	N	65.8	Low	71.8	Confident	29 Å²	29	59.8 Å²	59.8	16%	0.155	28%	0.283	C	S	.	.	S	Bend	trans	-84.3	-17	179.4	-67.2	-21.5	0	0	0	112.5	R395 C399 H404	R395-N416 PolarHBondContact O-ND2 2.67Å; R395-N416 VanDerWaalsContact O-ND2 3.17Å; C399-N416 PolarHBondContact SG-ND2 3.47Å; H404-N416 PolarHBondContact ND1-OD1 3.4Å
417	D	69.9	Low	72.7	Confident	79 Å²	79	61.7 Å²	61.7	42%	0.422	30%	0.3	S	S	.	.	S	Bend	trans	-134.7	148.6	-179.3	-164.6	-3.4	0	0	0	111.6	Y406 F419 D420 L421	Y406-D417 VanDerWaalsContact CD2-C 3.44Å; D417-F419 VanDerWaalsContact C-N 3.28Å; D417-F419 PolarHBondContact O-N 3.09Å; D417-D420 PolarHBondContact O-N 2.8Å; D417-L421 PolarHBondContact O-N 2.72Å; D417-L421 VanDerWaalsContact O-N 3.12Å
418	T	75.3	Confident	73.4	Confident	69 Å²	69	63.9 Å²	63.9	42%	0.423	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-34.9	174.3	58.7	0	0	0	0	112.4	Y406 L421 K422	Y406-T418 HydrophobicContact CD1-CG2 4.08Å; Y406-T418 HydrophobicContact CD2-CG2 4.17Å; Y406-T418 HydrophobicContact CE1-CG2 3.49Å; Y406-T418 VanDerWaalsContact CE1-CG2 3.49Å; Y406-T418 HydrophobicContact CE2-CG2 3.59Å; Y406-T418 HydrophobicContact CG-CG2 4.39Å; Y406-T418 WeakPolarHBondContact OH-CG2 3.39Å; T418-L421 PolarHBondContact O-N 3.38Å; T418-K422 VanDerWaalsContact O-CB 3.27Å; T418-K422 WeakPolarHBondContact O-CB 3.34Å; T418-K422 PolarHBondContact O-N 2.76Å
419	F	77.3	Confident	73.7	Confident	128 Å²	128	67.2 Å²	67.2	56%	0.561	33%	0.329	S	S	*	.	H	α-helix	trans	-65	-43.9	179.1	-178.1	-94	0	0	0	111.2	D417 K422 R423	D417-F419 VanDerWaalsContact C-N 3.28Å; D417-F419 PolarHBondContact O-N 3.09Å; F419-K422 PolarHBondContact O-N 2.99Å; F419-R423 WeakPolarHBondContact O-CB 3.44Å; F419-R423 PolarHBondContact O-N 3.34Å
420	D	77.6	Confident	74.3	Confident	54 Å²	54	65 Å²	65	29%	0.289	34%	0.335	S	S	.	.	H	α-helix	trans	-66.7	-42.8	177.6	-72.1	-37.7	0	0	0	111.8	F415 D417 R423 H424	F415-D420 HydrophobicContact CB-CB 4.33Å; F415-D420 HydrophobicContact CD1-CB 3.79Å; F415-D420 HydrophobicContact CG-CB 4.42Å; D417-D420 PolarHBondContact O-N 2.8Å; D420-R423 PolarHBondContact O-N 3.16Å; D420-R423 IonicContact OD1-CZ 2.86Å; D420-R423 IonicContact OD1-NE 2.72Å; D420-R423 IonicContact OD1-NH2 3.38Å; D420-R423 PolarHBondContact OD1-NH2 2.86Å; D420-H424 VanDerWaalsContact O-CB 3.3Å; D420-H424 WeakPolarHBondContact O-CB 3.43Å; D420-H424 PolarHBondContact O-N 2.71Å
421	L	79	Confident	75.1	Confident	3 Å²	3	65.5 Å²	65.5	2%	0.016	34%	0.343	C	S	.	.	H	α-helix	trans	-58.2	-50	171.9	171.1	64.3	0	0	0	110.9	A348 Y406 C408 F415 D417 T418 R423 H424 T425	A348-L421 WeakPolarHBondContact O-CD2 3.3Å; Y406-L421 HydrophobicContact CD1-CD2 4.46Å; Y406-L421 HydrophobicContact CG-CD2 4.28Å; C408-L421 HydrophobicContact CB-CD1 4Å; F415-L421 HydrophobicContact CB-CB 4Å; F415-L421 HydrophobicContact CD2-CB 4.09Å; F415-L421 HydrophobicContact CD2-CD1 3.8Å; F415-L421 HydrophobicContact CE2-CD1 4.24Å; F415-L421 HydrophobicContact CG-CB 4.08Å; D417-L421 PolarHBondContact O-N 2.72Å; D417-L421 VanDerWaalsContact O-N 3.12Å; T418-L421 PolarHBondContact O-N 3.38Å; L421-R423 VanDerWaalsContact C-N 3.32Å; L421-R423 PolarHBondContact O-N 3.28Å; L421-H424 CarbonylContact O-C 3.43Å; L421-H424 WeakPolarHBondContact O-CA 3.3Å; L421-H424 WeakPolarHBondContact O-CB 3.42Å; L421-H424 PolarHBondContact O-N 2.96Å; L421-H424 VanDerWaalsContact O-N 3.09Å; L421-T425 HydrophobicContact CD1-CG2 4.02Å; L421-T425 HydrophobicContact CG-CG2 4.39Å; L421-T425 WeakPolarHBondContact O-CG2 3.37Å; L421-T425 PolarHBondContact O-N 2.73Å; L421-T425 PolarHBondContact O-OG1 2.87Å
422	K	79.1	Confident	75.8	Confident	124 Å²	124	69.7 Å²	69.7	54%	0.539	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-36.6	-179.6	-172.9	175	-176	175.3	0	112.3	T418 F419 T425	T418-K422 VanDerWaalsContact O-CB 3.27Å; T418-K422 WeakPolarHBondContact O-CB 3.34Å; T418-K422 PolarHBondContact O-N 2.76Å; F419-K422 PolarHBondContact O-N 2.99Å; K422-T425 WeakPolarHBondContact CA-OG1 3.39Å; K422-T425 PolarHBondContact O-OG1 2.89Å
423	R	81.4	Confident	76.9	Confident	94 Å²	94	67.6 Å²	67.6	36%	0.355	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-42.5	172.4	176.8	174.7	58.8	171.3	-4.1	110.7	F419 D420 L421 R426	F419-R423 WeakPolarHBondContact O-CB 3.44Å; F419-R423 PolarHBondContact O-N 3.34Å; D420-R423 PolarHBondContact O-N 3.16Å; D420-R423 IonicContact OD1-CZ 2.86Å; D420-R423 IonicContact OD1-NE 2.72Å; D420-R423 IonicContact OD1-NH2 3.38Å; D420-R423 PolarHBondContact OD1-NH2 2.86Å; L421-R423 VanDerWaalsContact C-N 3.32Å; L421-R423 PolarHBondContact O-N 3.28Å; R423-R426 WeakPolarHBondContact O-CB 3.42Å; R423-R426 PolarHBondContact O-N 2.85Å
424	H	81.5	Confident	77.8	Confident	25 Å²	25	65 Å²	65	12%	0.116	34%	0.336	C	S	.	.	H	α-helix	trans	-68.1	-38.9	176.9	167.5	70.6	0	0	0	112.6	C408 C411 F415 D420 L421 R426 T427 H428	C408-H424 WeakPolarHBondContact CB-NE2 3.3Å; C408-H424 PolarHBondContact SG-CD2 3.19Å; C408-H424 PolarHBondContact SG-NE2 3.12Å; C411-H424 VanDerWaalsContact SG-CE1 3.56Å; C411-H424 PolarHBondContact SG-NE2 3.43Å; F415-H424 HydrophobicContact CE1-CB 3.66Å; F415-H424 AromaticContact CE1-CG 3.95Å; F415-H424 HydrophobicContact CE2-CB 3.92Å; F415-H424 AromaticContact CE2-CD2 3.19Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.34Å; F415-H424 AromaticContact CE2-CG 3.57Å; F415-H424 AromaticContact CE2-NE2 3.81Å; F415-H424 HydrophobicContact CZ-CB 3.32Å; F415-H424 AromaticContact CZ-CD2 3.26Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.39Å; F415-H424 AromaticContact CZ-CG 3.1Å; F415-H424 AromaticContact CZ-ND1 3.66Å; F415-H424 AromaticContact CZ-NE2 3.86Å; D420-H424 VanDerWaalsContact O-CB 3.3Å; D420-H424 WeakPolarHBondContact O-CB 3.43Å; D420-H424 PolarHBondContact O-N 2.71Å; L421-H424 CarbonylContact O-C 3.43Å; L421-H424 WeakPolarHBondContact O-CA 3.3Å; L421-H424 WeakPolarHBondContact O-CB 3.42Å; L421-H424 PolarHBondContact O-N 2.96Å; L421-H424 VanDerWaalsContact O-N 3.09Å; H424-R426 PolarHBondContact O-N 3.07Å; H424-R426 VanDerWaalsContact O-N 3.07Å; H424-T427 WeakPolarHBondContact O-CB 3.48Å; H424-T427 PolarHBondContact O-N 2.77Å; H424-T427 PolarHBondContact O-OG1 3.4Å; H424-H428 AromaticContact CE1-CD2 3.9Å; H424-H428 AromaticContact CE1-NE2 3.37Å; H424-H428 PolarHBondContact CE1-NE2 3.19Å; H424-H428 AromaticContact NE2-CD2 3.61Å; H424-H428 AromaticContact NE2-NE2 3.19Å; H424-H428 PolarHBondContact NE2-NE2 3.4Å; H424-H428 VanDerWaalsContact NE2-NE2 3.19Å
425	T	78.4	Confident	78.9	Confident	20 Å²	20	73.3 Å²	73.3	12%	0.123	36%	0.363	C	S	.	.	H	α-helix	trans	-62.5	-20.4	177.6	56.2	0	0	0	0	113	L421 K422 T427 H428 T429	L421-T425 HydrophobicContact CD1-CG2 4.02Å; L421-T425 HydrophobicContact CG-CG2 4.39Å; L421-T425 WeakPolarHBondContact O-CG2 3.37Å; L421-T425 PolarHBondContact O-N 2.73Å; L421-T425 PolarHBondContact O-OG1 2.87Å; K422-T425 WeakPolarHBondContact CA-OG1 3.39Å; K422-T425 PolarHBondContact O-OG1 2.89Å; T425-T427 PolarHBondContact O-N 2.82Å; T425-H428 PolarHBondContact O-N 3.13Å; T425-T429 WeakPolarHBondContact O-CG2 3.42Å; T425-T429 PolarHBondContact O-N 3.49Å; T425-T429 PolarHBondContact O-OG1 3.24Å
426	R	84.7	Confident	79.8	Confident	48 Å²	48	72.3 Å²	72.3	18%	0.181	36%	0.359	C	S	.	.	H	α-helix	trans	-62.9	-27.1	169.2	-64.2	177.1	-176.1	146.7	2.5	113.1	R423 H424 H428 T429 G430	R423-R426 WeakPolarHBondContact O-CB 3.42Å; R423-R426 PolarHBondContact O-N 2.85Å; H424-R426 PolarHBondContact O-N 3.07Å; H424-R426 VanDerWaalsContact O-N 3.07Å; R426-H428 VanDerWaalsContact C-N 3.3Å; R426-T429 WeakPolarHBondContact CA-OG1 3.4Å; R426-G430 PolarHBondContact O-N 3.46Å
427	T	81.9	Confident	80.8	Confident	90 Å²	90	75.7 Å²	75.7	55%	0.552	39%	0.385	S	S	*	.	H	α-helix	trans	-72.4	-26.7	176	70.8	0	0	0	0	112.1	H424 T425	H424-T427 WeakPolarHBondContact O-CB 3.48Å; H424-T427 PolarHBondContact O-N 2.77Å; H424-T427 PolarHBondContact O-OG1 3.4Å; T425-T427 PolarHBondContact O-N 2.82Å
428	H	76.1	Confident	81.5	Confident	76 Å²	76	76 Å²	76	35%	0.352	39%	0.387	S	S	.	.	H	α-helix	trans	-86.1	-39.6	175.6	-69.2	-69.1	0	0	0	112.9	C408 F410 C411 H424 T425 R426 G430	C408-H428 VanDerWaalsContact SG-CD2 3.52Å; F410-H428 HydrophobicContact CB-CB 4.09Å; F410-H428 VanDerWaalsContact CB-CG 3.47Å; F410-H428 HydrophobicContact CD1-CB 4.46Å; F410-H428 HydrophobicContact CD2-CB 3.37Å; F410-H428 AromaticContact CD2-CD2 3.69Å; F410-H428 AromaticContact CD2-CG 3.56Å; F410-H428 HydrophobicContact CE2-CB 3.77Å; F410-H428 HydrophobicContact CG-CB 3.74Å; F410-H428 AromaticContact CG-CG 3.7Å; F410-H428 HydrophobicContact CZ-CB 4.45Å; C411-H428 PolarHBondContact SG-NE2 2.91Å; H424-H428 AromaticContact CE1-CD2 3.9Å; H424-H428 AromaticContact CE1-NE2 3.37Å; H424-H428 PolarHBondContact CE1-NE2 3.19Å; H424-H428 AromaticContact NE2-CD2 3.61Å; H424-H428 AromaticContact NE2-NE2 3.19Å; H424-H428 PolarHBondContact NE2-NE2 3.4Å; H424-H428 VanDerWaalsContact NE2-NE2 3.19Å; T425-H428 PolarHBondContact O-N 3.13Å; R426-H428 VanDerWaalsContact C-N 3.3Å; H428-G430 VanDerWaalsContact C-N 3.35Å
429	T	76.9	Confident	82.1	Confident	69 Å²	69	74.4 Å²	74.4	42%	0.423	38%	0.378	S	S	.	.	H	α-helix	trans	-82.6	-13.1	-177.1	52.7	0	0	0	0	113.3	F410 T425 R426 V431	F410-T429 HydrophobicContact CE2-CG2 4.16Å; F410-T429 HydrophobicContact CZ-CG2 4.19Å; T425-T429 WeakPolarHBondContact O-CG2 3.42Å; T425-T429 PolarHBondContact O-N 3.49Å; T425-T429 PolarHBondContact O-OG1 3.24Å; R426-T429 WeakPolarHBondContact CA-OG1 3.4Å; T429-V431 PolarHBondContact O-N 3.37Å; T429-V431 WeakPolarHBondContact OG1-CG2 3.43Å
430	G	80.1	Confident	82.5	Confident	51 Å²	51	73.8 Å²	73.8	53%	0.526	39%	0.39	S	S	.	.			trans	68.2	9.1	-175.8	0	0	0	0	0	113.9	R426 H428 R432	R426-G430 PolarHBondContact O-N 3.46Å; H428-G430 VanDerWaalsContact C-N 3.35Å; G430-R432 WeakPolarHBondContact O-CG 3.48Å; G430-R432 PolarHBondContact O-N 3.44Å
431	V	80.7	Confident	82.9	Confident	77 Å²	77	77.3 Å²	77.3	47%	0.467	40%	0.402	S	S	.	.			trans	-68.3	118.1	-178.5	176.6	0	0	0	0	109.8	T429 P433	T429-V431 PolarHBondContact O-N 3.37Å; T429-V431 WeakPolarHBondContact OG1-CG2 3.43Å; V431-P433 WeakPolarHBondContact O-CD 3.15Å
432	R	85	Confident	83.2	Confident	144 Å²	144	78.1 Å²	78.1	54%	0.543	41%	0.41	S	S	.	.			trans	-117.2	80.4	-178.6	-66.7	169.6	90	152.9	3.6	109.8	G430 Y434 A442 F443 T444	G430-R432 WeakPolarHBondContact O-CG 3.48Å; G430-R432 PolarHBondContact O-N 3.44Å; R432-Y434 PolarHBondContact O-N 3.44Å; R432-A442 HydrophobicContact CB-CB 3.62Å; R432-A442 PolarHBondContact NE-O 3.29Å; R432-A442 PolarHBondContact NH2-O 3.5Å; R432-F443 CarbonylContact C-O 3.52Å; R432-F443 VanDerWaalsContact C-O 3.25Å; R432-F443 VanDerWaalsContact CA-O 3.27Å; R432-F443 WeakPolarHBondContact CA-O 3.38Å; R432-T444 HydrophobicContact CG-CG2 3.8Å
433	P	84.3	Confident	83.6	Confident	72 Å²	72	73.8 Å²	73.8	47%	0.468	39%	0.391	S	S	.	.			trans	-74.4	-12.5	-170.5	29.1	-32.3	0	0	0	113.8	V431 F443	V431-P433 WeakPolarHBondContact O-CD 3.15Å; P433-F443 WeakPolarHBondContact CD-O 3.49Å
434	Y	87.2	Confident	83.6	Confident	73 Å²	73	71.3 Å²	71.3	29%	0.286	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	97	-175.5	-57	-75.3	0	0	0	110.4	R432 A442 F443 R446	R432-Y434 PolarHBondContact O-N 3.44Å; Y434-A442 CarbonylContact O-C 3.59Å; Y434-A442 VanDerWaalsContact O-CA 3.31Å; Y434-A442 WeakPolarHBondContact O-CA 3.19Å; Y434-F443 PolarHBondContact N-O 2.96Å; Y434-F443 VanDerWaalsContact N-O 3.16Å; Y434-F443 PolarHBondContact O-N 3.08Å; Y434-R446 HydrophobicContact CD1-CB 4.04Å; Y434-R446 HydrophobicContact CD1-CG 4.41Å; Y434-R446 HydrophobicContact CE1-CB 3.74Å; Y434-R446 HydrophobicContact CE1-CG 4.28Å; Y434-R446 HydrophobicContact CE2-CB 4.31Å; Y434-R446 HydrophobicContact CG-CB 4.45Å
435	R	85.6	Confident	83.8	Confident	188 Å²	188	73.1 Å²	73.1	71%	0.709	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	137.9	176.8	-171.1	178.5	-84.6	177	-5.8	110.4
436	C	87.8	Confident	84.1	Confident	6 Å²	6	78.8 Å²	78.8	4%	0.041	41%	0.414	C	S	.	.			trans	-69.5	139.6	170.3	-172.3	0	0	0	0	109.9	D438 C439 K441 F443 L449 H452 H457	C436-D438 PolarHBondContact SG-N 3.33Å; C436-C439 CarbonylContact C-O 3.42Å; C436-C439 WeakPolarHBondContact CB-O 3.43Å; C436-K441 PolarHBondContact N-O 3.37Å; C436-F443 HydrophobicContact CB-CE2 4.49Å; C436-L449 VanDerWaalsContact CA-CD1 3.44Å; C436-L449 HydrophobicContact CB-CD1 3.61Å; C436-H452 PolarHBondContact SG-NE2 3.23Å; C436-H452 VanDerWaalsContact SG-NE2 3.44Å; C436-H457 PolarHBondContact SG-CD2 3.21Å; C436-H457 PolarHBondContact SG-NE2 3.39Å
437	S	87.1	Confident	84.1	Confident	99 Å²	99	78.9 Å²	78.9	69%	0.692	42%	0.421	S	S	*	.	S	Bend	trans	-83.5	-18.7	174.9	25.7	0	0	0	0	113.3	R459	S437-R459 VanDerWaalsContact OG-CZ 3.28Å; S437-R459 PolarHBondContact OG-NH1 3.32Å; S437-R459 PolarHBondContact OG-NH2 3.37Å
438	D	85	Confident	84.2	Confident	86 Å²	86	76.7 Å²	76.7	46%	0.46	41%	0.41	S	S	.	.	S	Bend	trans	-91.9	-16.8	177.2	-57	-27.1	0	0	0	112.5	C436 H457 R459	C436-D438 PolarHBondContact SG-N 3.33Å; D438-H457 HydrophobicContact CB-CB 4.24Å; D438-H457 WeakPolarHBondContact CB-CE1 3.48Å; D438-H457 VanDerWaalsContact CB-ND1 3.32Å; D438-H457 WeakPolarHBondContact CB-ND1 3.45Å; D438-H457 VanDerWaalsContact OD2-CB 3.23Å; D438-H457 WeakPolarHBondContact OD2-CB 3.26Å; D438-H457 IonicContact OD2-CD2 3.82Å; D438-H457 IonicContact OD2-CG 3.87Å; D438-H457 IonicContact OD2-ND1 3.95Å; D438-R459 IonicContact OD1-CZ 3.68Å; D438-R459 IonicContact OD1-NE 2.83Å; D438-R459 IonicContact OD1-NH2 2.68Å; D438-R459 PolarHBondContact OD1-NH2 3.29Å; D438-R459 IonicContact OD2-CZ 3.67Å; D438-R459 IonicContact OD2-NE 2.68Å; D438-R459 PolarHBondContact OD2-NE 2.83Å; D438-R459 IonicContact OD2-NH2 2.78Å; D438-R459 PolarHBondContact OD2-NH2 2.94Å
439	C	87.6	Confident	84.8	Confident	36 Å²	36	74.5 Å²	74.5	24%	0.243	40%	0.4	C	S	.	.	S	Bend	trans	-148.7	159.8	172.8	75.4	0	0	0	0	112.6	C436 K441 H452 H457	C436-C439 CarbonylContact C-O 3.42Å; C436-C439 WeakPolarHBondContact CB-O 3.43Å; C439-K441 PolarHBondContact O-N 3.18Å; C439-H452 VanDerWaalsContact SG-CE1 3.5Å; C439-H452 PolarHBondContact SG-NE2 3.18Å; C439-H457 PolarHBondContact SG-NE2 2.94Å; C439-H457 VanDerWaalsContact SG-NE2 3.37Å
440	S	84.8	Confident	85.2	Confident	115 Å²	115	72.7 Å²	72.7	80%	0.804	39%	0.387	S	S	*	.	S	Bend	trans	-69.5	6.5	-177.4	-51.2	0	0	0	0	115.1
441	K	86.1	Confident	85.5	Confident	128 Å²	128	71.2 Å²	71.2	56%	0.557	37%	0.37	S	S	*	.			trans	-74.2	130.8	-179.6	-69	-177.4	178.9	176.4	0	111.1	C436 C439 F443	C436-K441 PolarHBondContact N-O 3.37Å; C439-K441 PolarHBondContact O-N 3.18Å; K441-F443 HydrophobicContact CB-CE2 3.99Å; K441-F443 HydrophobicContact CB-CZ 3.99Å
442	A	86.3	Confident	85.8	Confident	20 Å²	20	68.4 Å²	68.4	17%	0.165	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	153.8	174.7	0	0	0	0	0	111.6	R432 Y434	R432-A442 HydrophobicContact CB-CB 3.62Å; R432-A442 PolarHBondContact NE-O 3.29Å; R432-A442 PolarHBondContact NH2-O 3.5Å; Y434-A442 CarbonylContact O-C 3.59Å; Y434-A442 VanDerWaalsContact O-CA 3.31Å; Y434-A442 WeakPolarHBondContact O-CA 3.19Å
443	F	86.1	Confident	85.9	Confident	32 Å²	32	61.6 Å²	61.6	14%	0.14	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150.5	-176.5	-58.9	-86.7	0	0	0	111.1	R432 P433 Y434 C436 K441 Q445 L449 H452	R432-F443 CarbonylContact C-O 3.52Å; R432-F443 VanDerWaalsContact C-O 3.25Å; R432-F443 VanDerWaalsContact CA-O 3.27Å; R432-F443 WeakPolarHBondContact CA-O 3.38Å; P433-F443 WeakPolarHBondContact CD-O 3.49Å; Y434-F443 PolarHBondContact N-O 2.96Å; Y434-F443 VanDerWaalsContact N-O 3.16Å; Y434-F443 PolarHBondContact O-N 3.08Å; C436-F443 HydrophobicContact CB-CE2 4.49Å; K441-F443 HydrophobicContact CB-CE2 3.99Å; K441-F443 HydrophobicContact CB-CZ 3.99Å; F443-Q445 VanDerWaalsContact C-N 3.34Å; F443-L449 HydrophobicContact CB-CB 4.32Å; F443-L449 HydrophobicContact CD2-CB 3.8Å; F443-L449 HydrophobicContact CD2-CD1 3.82Å; F443-L449 HydrophobicContact CD2-CG 4.43Å; F443-L449 HydrophobicContact CE2-CD1 3.96Å; F443-L449 HydrophobicContact CG-CB 4.25Å; F443-H452 HydrophobicContact CE1-CB 3.94Å; F443-H452 HydrophobicContact CE2-CB 3.85Å; F443-H452 AromaticContact CE2-CD2 3.39Å; F443-H452 WeakPolarHBondContact CE2-CD2 3.38Å; F443-H452 AromaticContact CE2-CG 3.61Å; F443-H452 HydrophobicContact CZ-CB 3.39Å; F443-H452 AromaticContact CZ-CD2 3.5Å; F443-H452 VanDerWaalsContact CZ-CD2 3.5Å; F443-H452 WeakPolarHBondContact CZ-CD2 3.32Å; F443-H452 AromaticContact CZ-CG 3.21Å; F443-H452 AromaticContact CZ-ND1 3.73Å
444	T	83.2	Confident	85.9	Confident	42 Å²	42	61.1 Å²	61.1	26%	0.258	32%	0.315	S	S	.	.	S	Bend	trans	-78.4	-20.9	177.9	54.3	0	0	0	0	112.7	R432	R432-T444 HydrophobicContact CG-CG2 3.8Å
445	Q	84.2	Confident	85.9	Confident	64 Å²	64	63.8 Å²	63.8	30%	0.299	33%	0.329	S	S	.	.	S	Bend	trans	-133.6	147.9	-177.4	-55.1	-172.8	38.1	0	0	111.2	F443 S448 L449	F443-Q445 VanDerWaalsContact C-N 3.34Å; Q445-S448 PolarHBondContact O-N 3.17Å; Q445-L449 PolarHBondContact O-N 3.2Å
446	R	86	Confident	85.9	Confident	139 Å²	139	59 Å²	59	53%	0.525	32%	0.32	S	S	.	.	H	α-helix	trans	-65.4	-43.5	-180	-175.3	178.3	172.8	152.7	3.3	112.2	Y434 S448 L449 E450	Y434-R446 HydrophobicContact CD1-CB 4.04Å; Y434-R446 HydrophobicContact CD1-CG 4.41Å; Y434-R446 HydrophobicContact CE1-CB 3.74Å; Y434-R446 HydrophobicContact CE1-CG 4.28Å; Y434-R446 HydrophobicContact CE2-CB 4.31Å; Y434-R446 HydrophobicContact CG-CB 4.45Å; R446-S448 PolarHBondContact O-N 3.3Å; R446-L449 WeakPolarHBondContact O-CA 3.31Å; R446-L449 WeakPolarHBondContact O-CB 3.42Å; R446-L449 PolarHBondContact O-N 3.38Å; R446-E450 HydrophobicContact CG-CG 4.4Å; R446-E450 WeakPolarHBondContact CG-OE1 3.39Å; R446-E450 IonicContact CZ-OE1 3.22Å; R446-E450 IonicContact NE-OE1 3.88Å; R446-E450 PolarHBondContact NE-OE1 3.15Å; R446-E450 IonicContact NH2-OE1 3.55Å; R446-E450 WeakPolarHBondContact O-CG 3.41Å; R446-E450 PolarHBondContact O-N 3.43Å
447	C	83.6	Confident	85.9	Confident	49 Å²	49	61.5 Å²	61.5	33%	0.331	33%	0.331	S	S	.	.	H	α-helix	trans	-58.8	-34.7	177.1	55.5	0	0	0	0	112.7	E450 A451	C447-E450 WeakPolarHBondContact CA-OE2 3.47Å; C447-E450 PolarHBondContact O-N 3.4Å; C447-A451 WeakPolarHBondContact O-CB 3.14Å; C447-A451 PolarHBondContact O-N 3.48Å
448	S	85.3	Confident	85.6	Confident	45 Å²	45	59.8 Å²	59.8	32%	0.315	33%	0.328	S	S	.	.	H	α-helix	trans	-68.4	-38.5	175	-53.1	0	0	0	0	112.2	Q445 R446 H452	Q445-S448 PolarHBondContact O-N 3.17Å; R446-S448 PolarHBondContact O-N 3.3Å; S448-H452 VanDerWaalsContact O-CB 3.22Å; S448-H452 WeakPolarHBondContact O-CB 3.27Å; S448-H452 PolarHBondContact O-N 2.78Å
449	L	88.5	Confident	85.1	Confident	29 Å²	29	58.6 Å²	58.6	15%	0.152	32%	0.318	C	S	.	.	H	α-helix	trans	-64	-43	172.5	169.2	62.7	0	0	0	111.1	C436 F443 Q445 R446 H452 G453	C436-L449 VanDerWaalsContact CA-CD1 3.44Å; C436-L449 HydrophobicContact CB-CD1 3.61Å; F443-L449 HydrophobicContact CB-CB 4.32Å; F443-L449 HydrophobicContact CD2-CB 3.8Å; F443-L449 HydrophobicContact CD2-CD1 3.82Å; F443-L449 HydrophobicContact CD2-CG 4.43Å; F443-L449 HydrophobicContact CE2-CD1 3.96Å; F443-L449 HydrophobicContact CG-CB 4.25Å; Q445-L449 PolarHBondContact O-N 3.2Å; R446-L449 WeakPolarHBondContact O-CA 3.31Å; R446-L449 WeakPolarHBondContact O-CB 3.42Å; R446-L449 PolarHBondContact O-N 3.38Å; L449-H452 WeakPolarHBondContact O-CB 3.37Å; L449-H452 PolarHBondContact O-N 2.88Å; L449-G453 PolarHBondContact O-N 3.04Å
450	E	85.4	Confident	84.2	Confident	31 Å²	31	62.4 Å²	62.4	15%	0.145	34%	0.342	C	S	.	.	H	α-helix	trans	-69.5	-40.1	-178.5	-69.5	161.3	163.4	0	0	112.2	R446 C447 H452 G453 R454 Y463	R446-E450 HydrophobicContact CG-CG 4.4Å; R446-E450 WeakPolarHBondContact CG-OE1 3.39Å; R446-E450 IonicContact CZ-OE1 3.22Å; R446-E450 IonicContact NE-OE1 3.88Å; R446-E450 PolarHBondContact NE-OE1 3.15Å; R446-E450 IonicContact NH2-OE1 3.55Å; R446-E450 WeakPolarHBondContact O-CG 3.41Å; R446-E450 PolarHBondContact O-N 3.43Å; C447-E450 WeakPolarHBondContact CA-OE2 3.47Å; C447-E450 PolarHBondContact O-N 3.4Å; E450-H452 VanDerWaalsContact C-N 3.33Å; E450-G453 PolarHBondContact O-N 2.88Å; E450-R454 WeakPolarHBondContact O-CB 3.34Å; E450-R454 PolarHBondContact O-N 3.37Å; E450-Y463 HydrophobicContact CB-CE1 3.57Å; E450-Y463 VanDerWaalsContact CB-OH 3.24Å; E450-Y463 WeakPolarHBondContact CB-OH 3.46Å; E450-Y463 HydrophobicContact CG-CD1 3.98Å; E450-Y463 HydrophobicContact CG-CE1 3.28Å; E450-Y463 WeakPolarHBondContact OE1-CD1 3.5Å; E450-Y463 WeakPolarHBondContact OE1-CE1 3.47Å; E450-Y463 WeakPolarHBondContact OE2-CE1 3.41Å; E450-Y463 PolarHBondContact OE2-OH 3.45Å
451	A	85.4	Confident	83.3	Confident	20 Å²	20	60.8 Å²	60.8	17%	0.165	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-39.2	171.7	0	0	0	0	0	111.4	C447 R454 K455	C447-A451 WeakPolarHBondContact O-CB 3.14Å; C447-A451 PolarHBondContact O-N 3.48Å; A451-R454 PolarHBondContact O-N 2.92Å; A451-K455 WeakPolarHBondContact O-CB 3.37Å; A451-K455 WeakPolarHBondContact O-CG 3.27Å; A451-K455 PolarHBondContact O-N 2.71Å
452	H	87.2	Confident	82.1	Confident	18 Å²	18	62.4 Å²	62.4	8%	0.083	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-46.8	173.5	163.8	70.3	0	0	0	112.3	C436 C439 F443 S448 L449 E450 R454 K455 V456 H457	C436-H452 PolarHBondContact SG-NE2 3.23Å; C436-H452 VanDerWaalsContact SG-NE2 3.44Å; C439-H452 VanDerWaalsContact SG-CE1 3.5Å; C439-H452 PolarHBondContact SG-NE2 3.18Å; F443-H452 HydrophobicContact CE1-CB 3.94Å; F443-H452 HydrophobicContact CE2-CB 3.85Å; F443-H452 AromaticContact CE2-CD2 3.39Å; F443-H452 WeakPolarHBondContact CE2-CD2 3.38Å; F443-H452 AromaticContact CE2-CG 3.61Å; F443-H452 HydrophobicContact CZ-CB 3.39Å; F443-H452 AromaticContact CZ-CD2 3.5Å; F443-H452 VanDerWaalsContact CZ-CD2 3.5Å; F443-H452 WeakPolarHBondContact CZ-CD2 3.32Å; F443-H452 AromaticContact CZ-CG 3.21Å; F443-H452 AromaticContact CZ-ND1 3.73Å; S448-H452 VanDerWaalsContact O-CB 3.22Å; S448-H452 WeakPolarHBondContact O-CB 3.27Å; S448-H452 PolarHBondContact O-N 2.78Å; L449-H452 WeakPolarHBondContact O-CB 3.37Å; L449-H452 PolarHBondContact O-N 2.88Å; E450-H452 VanDerWaalsContact C-N 3.33Å; H452-R454 VanDerWaalsContact C-N 3.27Å; H452-R454 PolarHBondContact O-N 2.77Å; H452-K455 PolarHBondContact O-N 2.67Å; H452-V456 WeakPolarHBondContact ND1-CG2 3.45Å; H452-V456 WeakPolarHBondContact O-CB 3.23Å; H452-V456 PolarHBondContact O-N 3.25Å; H452-H457 AromaticContact CE1-NE2 3.61Å; H452-H457 AromaticContact NE2-CD2 3.58Å; H452-H457 AromaticContact NE2-NE2 3.24Å; H452-H457 PolarHBondContact NE2-NE2 3.42Å
453	G	86.6	Confident	80.4	Confident	2 Å²	2	63.7 Å²	63.7	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-58	-41.4	176.3	0	0	0	0	0	111.5	L449 E450 H457 G458 R459	L449-G453 PolarHBondContact O-N 3.04Å; E450-G453 PolarHBondContact O-N 2.88Å; G453-H457 CarbonylContact O-C 3.51Å; G453-H457 VanDerWaalsContact O-C 3.26Å; G453-H457 WeakPolarHBondContact O-CA 3.5Å; G453-H457 WeakPolarHBondContact O-CB 3.39Å; G453-H457 PolarHBondContact O-N 3Å; G453-G458 PolarHBondContact O-N 3.19Å; G453-R459 PolarHBondContact O-N 3.22Å
454	R	85.7	Confident	78.2	Confident	61 Å²	61	66.6 Å²	66.6	23%	0.23	36%	0.364	C	S	.	.	H	α-helix	trans	-64.1	-53.2	173.9	-86.7	-173.3	-94.4	164.6	1.7	113	E450 A451 H452 G458 R459 Y463	E450-R454 WeakPolarHBondContact O-CB 3.34Å; E450-R454 PolarHBondContact O-N 3.37Å; A451-R454 PolarHBondContact O-N 2.92Å; H452-R454 VanDerWaalsContact C-N 3.27Å; H452-R454 PolarHBondContact O-N 2.77Å; R454-G458 WeakPolarHBondContact O-CA 3.33Å; R454-G458 PolarHBondContact O-N 3.41Å; R454-R459 WeakPolarHBondContact CG-O 3.48Å; R454-Y463 PolarHBondContact NH2-OH 3.36Å
455	K	85.7	Confident	76.1	Confident	130 Å²	130	69.6 Å²	69.6	57%	0.565	37%	0.374	S	S	*	.	H	α-helix	trans	-72.3	-36	-173.3	-73.1	-173.5	-179.9	-174.5	0	114.3	A451 H452 C478	A451-K455 WeakPolarHBondContact O-CB 3.37Å; A451-K455 WeakPolarHBondContact O-CG 3.27Å; A451-K455 PolarHBondContact O-N 2.71Å; H452-K455 PolarHBondContact O-N 2.67Å; K455-C478 WeakPolarHBondContact CE-O 3.32Å; K455-C478 VanDerWaalsContact NZ-C 3.31Å; K455-C478 PolarHBondContact NZ-O 2.89Å
456	V	86.8	Confident	74.2	Confident	87 Å²	87	76 Å²	76	53%	0.527	40%	0.401	S	S	.	.	H	α-helix	trans	-101.6	-35.2	-171.4	-177.1	0	0	0	0	111.5	H452	H452-V456 WeakPolarHBondContact ND1-CG2 3.45Å; H452-V456 WeakPolarHBondContact O-CB 3.23Å; H452-V456 PolarHBondContact O-N 3.25Å
457	H	86.3	Confident	71.7	Confident	59 Å²	59	78.3 Å²	78.3	27%	0.273	42%	0.417	S	S	.	.	H	α-helix	trans	-116	1.1	-173.5	-56.2	-64.8	0	0	0	113.5	C436 D438 C439 H452 G453 R459	C436-H457 PolarHBondContact SG-CD2 3.21Å; C436-H457 PolarHBondContact SG-NE2 3.39Å; D438-H457 HydrophobicContact CB-CB 4.24Å; D438-H457 WeakPolarHBondContact CB-CE1 3.48Å; D438-H457 VanDerWaalsContact CB-ND1 3.32Å; D438-H457 WeakPolarHBondContact CB-ND1 3.45Å; D438-H457 VanDerWaalsContact OD2-CB 3.23Å; D438-H457 WeakPolarHBondContact OD2-CB 3.26Å; D438-H457 IonicContact OD2-CD2 3.82Å; D438-H457 IonicContact OD2-CG 3.87Å; D438-H457 IonicContact OD2-ND1 3.95Å; C439-H457 PolarHBondContact SG-NE2 2.94Å; C439-H457 VanDerWaalsContact SG-NE2 3.37Å; H452-H457 AromaticContact CE1-NE2 3.61Å; H452-H457 AromaticContact NE2-CD2 3.58Å; H452-H457 AromaticContact NE2-NE2 3.24Å; H452-H457 PolarHBondContact NE2-NE2 3.42Å; G453-H457 CarbonylContact O-C 3.51Å; G453-H457 VanDerWaalsContact O-C 3.26Å; G453-H457 WeakPolarHBondContact O-CA 3.5Å; G453-H457 WeakPolarHBondContact O-CB 3.39Å; G453-H457 PolarHBondContact O-N 3Å; H457-R459 HydrophobicContact CB-CG 4.24Å; H457-R459 PolarHBondContact O-N 3.15Å
458	G	80.7	Confident	69.6	Low	62 Å²	62	85.2 Å²	85.2	64%	0.639	44%	0.437	S	S	*	.			trans	63.3	19.6	-177.8	0	0	0	0	0	114.3	G453 R454	G453-G458 PolarHBondContact O-N 3.19Å; R454-G458 WeakPolarHBondContact O-CA 3.33Å; R454-G458 PolarHBondContact O-N 3.41Å
459	R	74.7	Confident	67.6	Low	61 Å²	61	95.2 Å²	95.2	23%	0.23	47%	0.467	C	S	.	.			trans	-64	133.7	-176.2	-75.7	-171.1	-176.4	-168.2	-3	111.5	S437 D438 G453 R454 H457	S437-R459 VanDerWaalsContact OG-CZ 3.28Å; S437-R459 PolarHBondContact OG-NH1 3.32Å; S437-R459 PolarHBondContact OG-NH2 3.37Å; D438-R459 IonicContact OD1-CZ 3.68Å; D438-R459 IonicContact OD1-NE 2.83Å; D438-R459 IonicContact OD1-NH2 2.68Å; D438-R459 PolarHBondContact OD1-NH2 3.29Å; D438-R459 IonicContact OD2-CZ 3.67Å; D438-R459 IonicContact OD2-NE 2.68Å; D438-R459 PolarHBondContact OD2-NE 2.83Å; D438-R459 IonicContact OD2-NH2 2.78Å; D438-R459 PolarHBondContact OD2-NH2 2.94Å; G453-R459 PolarHBondContact O-N 3.22Å; R454-R459 WeakPolarHBondContact CG-O 3.48Å; H457-R459 HydrophobicContact CB-CG 4.24Å; H457-R459 PolarHBondContact O-N 3.15Å
460	P	70.5	Confident	66	Low	116 Å²	116	98.3 Å²	98.3	75%	0.753	48%	0.484	S	S	*	.			trans	-65.6	156.4	170.6	25.1	-30	0	0	0	111.4	Q462	P460-Q462 PolarHBondContact O-N 3.07Å
461	L	65.4	Low	65	Low	81 Å²	81	104 Å²	104	42%	0.424	51%	0.509	S	S	.	.			trans	-58.3	98.8	175.3	-98.5	174.2	0	0	0	111.2	Y463	L461-Y463 HydrophobicContact CD2-CD1 3.97Å; L461-Y463 HydrophobicContact CD2-CD2 4.05Å; L461-Y463 HydrophobicContact CD2-CE1 3.21Å; L461-Y463 HydrophobicContact CD2-CE2 3.44Å; L461-Y463 VanDerWaalsContact CD2-CE2 3.44Å; L461-Y463 HydrophobicContact CD2-CG 4.34Å; L461-Y463 VanDerWaalsContact CD2-OH 3.32Å; L461-Y463 WeakPolarHBondContact CD2-OH 3.39Å; L461-Y463 PolarHBondContact O-N 3.25Å; L461-Y463 VanDerWaalsContact O-N 3.09Å
462	Q	60.9	Low	64.4	Low	162 Å²	162	106 Å²	106	76%	0.757	52%	0.516	S	S	*	.	S	Bend	trans	-77.6	8.3	-174.8	-154.1	164.2	23.7	0	0	114.5	P460	P460-Q462 PolarHBondContact O-N 3.07Å
463	Y	51.1	Low	64	Low	47 Å²	47	109.4 Å²	109.4	18%	0.184	53%	0.529	C	S	.	.			trans	-129.4	63.8	-177.5	46.2	-73.9	0	0	0	109	E450 R454 L461 F465 L472	E450-Y463 HydrophobicContact CB-CE1 3.57Å; E450-Y463 VanDerWaalsContact CB-OH 3.24Å; E450-Y463 WeakPolarHBondContact CB-OH 3.46Å; E450-Y463 HydrophobicContact CG-CD1 3.98Å; E450-Y463 HydrophobicContact CG-CE1 3.28Å; E450-Y463 WeakPolarHBondContact OE1-CD1 3.5Å; E450-Y463 WeakPolarHBondContact OE1-CE1 3.47Å; E450-Y463 WeakPolarHBondContact OE2-CE1 3.41Å; E450-Y463 PolarHBondContact OE2-OH 3.45Å; R454-Y463 PolarHBondContact NH2-OH 3.36Å; L461-Y463 HydrophobicContact CD2-CD1 3.97Å; L461-Y463 HydrophobicContact CD2-CD2 4.05Å; L461-Y463 HydrophobicContact CD2-CE1 3.21Å; L461-Y463 HydrophobicContact CD2-CE2 3.44Å; L461-Y463 VanDerWaalsContact CD2-CE2 3.44Å; L461-Y463 HydrophobicContact CD2-CG 4.34Å; L461-Y463 VanDerWaalsContact CD2-OH 3.32Å; L461-Y463 WeakPolarHBondContact CD2-OH 3.39Å; L461-Y463 PolarHBondContact O-N 3.25Å; L461-Y463 VanDerWaalsContact O-N 3.09Å; Y463-F465 PolarHBondContact O-N 3.32Å; Y463-L472 HydrophobicContact CD2-CD1 4.49Å; Y463-L472 HydrophobicContact CE2-CD1 4.34Å
464	A	39.2	Very low	63.6	Low	94 Å²	94	111.4 Å²	111.4	78%	0.777	54%	0.541	S	S	*	.			trans	-62	112.8	150.5	0	0	0	0	0	107.2	K466	A464-K466 PolarHBondContact O-N 3.3Å
465	F	39.6	Very low	63.4	Low	105 Å²	105	108.7 Å²	108.7	46%	0.461	53%	0.531	S	S	.	.			trans	-47.2	105.4	174.5	-100.3	-103.7	0	0	0	111.6	Y463 R468 L472	Y463-F465 PolarHBondContact O-N 3.32Å; F465-R468 HydrophobicContact CD1-CB 4.17Å; F465-R468 WeakPolarHBondContact CD1-O 3.43Å; F465-R468 HydrophobicContact CE1-CB 3.83Å; F465-R468 WeakPolarHBondContact CE1-O 3.44Å; F465-L472 HydrophobicContact CD2-CD1 4.29Å; F465-L472 HydrophobicContact CE2-CD1 3.53Å; F465-L472 HydrophobicContact CE2-CD2 4.45Å; F465-L472 HydrophobicContact CE2-CG 3.67Å; F465-L472 HydrophobicContact CZ-CD1 4.46Å; F465-L472 HydrophobicContact CZ-CG 4.29Å
466	K	42.6	Very low	63	Low	199 Å²	199	111.7 Å²	111.7	87%	0.865	55%	0.547	S	S	*	.	S	Bend	trans	-86.2	111.9	146.9	-94.4	179.5	173.2	178.9	0	106.9	A464	A464-K466 PolarHBondContact O-N 3.3Å
467	E	35.3	Very low	62.4	Low	186 Å²	186	114.1 Å²	114.1	87%	0.869	55%	0.552	S	S	*	*	S	Bend	trans	90.9	17.2	154.7	-60.2	-175.4	160.1	0	0	122.8
468	R	38.1	Very low	62.1	Low	195 Å²	195	112.6 Å²	112.6	74%	0.736	55%	0.548	S	S	*	.			trans	-132.9	127.2	154	-77.5	-165.7	176.3	109.7	3.2	111.8	F465 D470	F465-R468 HydrophobicContact CD1-CB 4.17Å; F465-R468 WeakPolarHBondContact CD1-O 3.43Å; F465-R468 HydrophobicContact CE1-CB 3.83Å; F465-R468 WeakPolarHBondContact CE1-O 3.44Å; R468-D470 PolarHBondContact O-N 3.27Å
469	R	43.7	Very low	61.9	Low	254 Å²	254	110.4 Å²	110.4	96%	0.958	53%	0.526	S	S	*	.			trans	-76.7	35.3	-164.2	-149.1	-176.4	-82	171.7	-8.4	113.3
470	D	54.2	Low	62	Low	95 Å²	95	111.8 Å²	111.8	51%	0.508	53%	0.534	S	S	.	.			trans	-107	107.8	-173.9	-62	-23.2	0	0	0	109.8	R468 L472	R468-D470 PolarHBondContact O-N 3.27Å; D470-L472 PolarHBondContact O-N 3.43Å
471	K	65.1	Low	62.3	Low	150 Å²	150	108 Å²	108	65%	0.652	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-58.9	119.4	174.2	-73.9	177.2	178.1	178.8	0	109.6	Y473	K471-Y473 HydrophobicContact CB-CE2 4.41Å
472	L	73.7	Confident	63	Low	63 Å²	63	105 Å²	105	33%	0.33	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-85.4	125.1	169.2	-72.1	-177.9	0	0	0	110.1	Y463 F465 D470 T482 T483	Y463-L472 HydrophobicContact CD2-CD1 4.49Å; Y463-L472 HydrophobicContact CE2-CD1 4.34Å; F465-L472 HydrophobicContact CD2-CD1 4.29Å; F465-L472 HydrophobicContact CE2-CD1 3.53Å; F465-L472 HydrophobicContact CE2-CD2 4.45Å; F465-L472 HydrophobicContact CE2-CG 3.67Å; F465-L472 HydrophobicContact CZ-CD1 4.46Å; F465-L472 HydrophobicContact CZ-CG 4.29Å; D470-L472 PolarHBondContact O-N 3.43Å; L472-T482 CarbonylContact C-O 3.33Å; L472-T483 HydrophobicContact CD2-CG2 3.66Å
473	Y	77.1	Confident	63.9	Low	89 Å²	89	101.7 Å²	101.7	35%	0.349	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126	169.6	-62	-88	0	0	0	108.6	K471 S481 T482 D484 A485	K471-Y473 HydrophobicContact CB-CE2 4.41Å; Y473-S481 CarbonylContact O-C 3.5Å; Y473-S481 VanDerWaalsContact O-CA 3.28Å; Y473-S481 WeakPolarHBondContact O-CA 3.43Å; Y473-T482 PolarHBondContact N-O 2.77Å; Y473-T482 PolarHBondContact O-N 2.94Å; Y473-D484 VanDerWaalsContact CD2-C 3.43Å; Y473-A485 HydrophobicContact CD1-CB 3.94Å; Y473-A485 HydrophobicContact CD2-CB 4.18Å; Y473-A485 VanDerWaalsContact CD2-N 3.25Å; Y473-A485 HydrophobicContact CE1-CB 3.56Å; Y473-A485 HydrophobicContact CE2-CB 3.82Å; Y473-A485 VanDerWaalsContact CE2-N 3.29Å; Y473-A485 HydrophobicContact CG-CB 4.23Å
474	V	79.4	Confident	65.1	Low	44 Å²	44	103 Å²	103	27%	0.267	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133	-179.4	-175	0	0	0	0	109	E476 F480	V474-E476 PolarHBondContact O-N 3.21Å; V474-F480 CarbonylContact C-O 3.5Å; V474-F480 VanDerWaalsContact CA-O 3.23Å; V474-F480 WeakPolarHBondContact CA-O 3.41Å
475	C	81.6	Confident	67.1	Low	3 Å²	3	99.9 Å²	99.9	2%	0.02	47%	0.471	C	S	.	.			trans	-71.2	122.3	169.2	180	0	0	0	0	109.5	E477 G479 F480 L488 H491 H496	C475-E477 VanDerWaalsContact C-N 3.31Å; C475-E477 PolarHBondContact O-N 3.3Å; C475-E477 PolarHBondContact SG-N 3.37Å; C475-G479 WeakPolarHBondContact O-CA 3.24Å; C475-G479 PolarHBondContact O-N 3.41Å; C475-F480 HydrophobicContact CB-CB 4.01Å; C475-F480 PolarHBondContact N-O 3.25Å; C475-L488 VanDerWaalsContact CA-CD1 3.48Å; C475-L488 HydrophobicContact CB-CD1 3.51Å; C475-L488 VanDerWaalsContact N-CD1 3.3Å; C475-H491 WeakPolarHBondContact CB-NE2 3.3Å; C475-H491 PolarHBondContact SG-NE2 3.16Å; C475-H496 PolarHBondContact SG-NE2 2.96Å
476	E	76.3	Confident	69.2	Low	194 Å²	194	99.2 Å²	99.2	91%	0.907	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-34.6	179.4	-63	-176.4	166.7	0	0	111.7	V474	V474-E476 PolarHBondContact O-N 3.21Å
477	E	75.1	Confident	71	Confident	137 Å²	137	93 Å²	93	64%	0.64	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-38.6	-175.9	-66.6	-175.8	-140.6	0	0	113.5	C475 H496	C475-E477 VanDerWaalsContact C-N 3.31Å; C475-E477 PolarHBondContact O-N 3.3Å; C475-E477 PolarHBondContact SG-N 3.37Å; E477-H496 WeakPolarHBondContact CB-CE1 3.48Å; E477-H496 WeakPolarHBondContact CB-ND1 3.18Å; E477-H496 WeakPolarHBondContact OE2-CB 3.46Å; E477-H496 IonicContact OE2-CE1 2.77Å; E477-H496 IonicContact OE2-CG 3.53Å; E477-H496 IonicContact OE2-ND1 2.74Å; E477-H496 PolarHBondContact OE2-ND1 3.18Å
478	C	79.1	Confident	73.3	Confident	28 Å²	28	85.6 Å²	85.6	19%	0.189	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-1.1	-177.3	81.3	0	0	0	0	115.8	K455 F480 H491 H496	K455-C478 WeakPolarHBondContact CE-O 3.32Å; K455-C478 VanDerWaalsContact NZ-C 3.31Å; K455-C478 PolarHBondContact NZ-O 2.89Å; C478-F480 PolarHBondContact O-N 3.22Å; C478-F480 WeakPolarHBondContact SG-CB 3.33Å; C478-F480 PolarHBondContact SG-N 3.03Å; C478-F480 VanDerWaalsContact SG-N 3.43Å; C478-H491 PolarHBondContact SG-CE1 2.89Å; C478-H491 PolarHBondContact SG-NE2 3.45Å; C478-H496 WeakPolarHBondContact CB-NE2 2.96Å; C478-H496 PolarHBondContact SG-NE2 2.94Å
479	G	76.7	Confident	75.4	Confident	16 Å²	16	83.8 Å²	83.8	17%	0.165	40%	0.404	C	S	.	.			trans	69.9	8.4	-178.8	0	0	0	0	0	114.8	C475	C475-G479 WeakPolarHBondContact O-CA 3.24Å; C475-G479 PolarHBondContact O-N 3.41Å
480	F	77.1	Confident	77.3	Confident	90 Å²	90	76.1 Å²	76.1	40%	0.395	38%	0.38	S	S	.	.			trans	-57.2	136.9	172.1	176.6	-101.4	0	0	0	109.9	V474 C475 C478 T482 H491	V474-F480 CarbonylContact C-O 3.5Å; V474-F480 VanDerWaalsContact CA-O 3.23Å; V474-F480 WeakPolarHBondContact CA-O 3.41Å; C475-F480 HydrophobicContact CB-CB 4.01Å; C475-F480 PolarHBondContact N-O 3.25Å; C478-F480 PolarHBondContact O-N 3.22Å; C478-F480 WeakPolarHBondContact SG-CB 3.33Å; C478-F480 PolarHBondContact SG-N 3.03Å; C478-F480 VanDerWaalsContact SG-N 3.43Å; F480-T482 HydrophobicContact CD1-CG2 4.42Å; F480-T482 HydrophobicContact CE1-CG2 3.93Å; F480-H491 HydrophobicContact CD1-CB 3.83Å; F480-H491 AromaticContact CD1-CD2 3.72Å; F480-H491 AromaticContact CD1-CG 3.41Å; F480-H491 VanDerWaalsContact CD1-CG 3.41Å; F480-H491 AromaticContact CD1-ND1 3.73Å; F480-H491 HydrophobicContact CE1-CB 3.85Å; F480-H491 AromaticContact CE1-CG 3.92Å; F480-H491 AromaticContact CG-CE1 3.88Å; F480-H491 AromaticContact CG-CG 3.88Å; F480-H491 AromaticContact CG-ND1 3.73Å
481	S	77.7	Confident	78.6	Confident	37 Å²	37	72.6 Å²	72.6	26%	0.259	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.7	179.9	60.9	0	0	0	0	111.3	Y473	Y473-S481 CarbonylContact O-C 3.5Å; Y473-S481 VanDerWaalsContact O-CA 3.28Å; Y473-S481 WeakPolarHBondContact O-CA 3.43Å
482	T	79.9	Confident	79.5	Confident	16 Å²	16	67.5 Å²	67.5	10%	0.098	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	150.6	-177.9	167.3	0	0	0	0	109.7	L472 Y473 F480 D484 N487 L488	L472-T482 CarbonylContact C-O 3.33Å; Y473-T482 PolarHBondContact N-O 2.77Å; Y473-T482 PolarHBondContact O-N 2.94Å; F480-T482 HydrophobicContact CD1-CG2 4.42Å; F480-T482 HydrophobicContact CE1-CG2 3.93Å; T482-D484 WeakPolarHBondContact CG2-O 3.49Å; T482-D484 PolarHBondContact O-N 3.34Å; T482-D484 PolarHBondContact OG1-N 2.9Å; T482-D484 VanDerWaalsContact OG1-N 3.14Å; T482-D484 PolarHBondContact OG1-O 3.38Å; T482-N487 HydrophobicContact CG2-CB 4.1Å; T482-N487 VanDerWaalsContact OG1-CB 3.3Å; T482-N487 WeakPolarHBondContact OG1-CB 3.48Å; T482-L488 HydrophobicContact CG2-CB 3.63Å
483	T	78.4	Confident	79.9	Confident	94 Å²	94	70.3 Å²	70.3	58%	0.577	35%	0.353	S	S	*	.	S	Bend	trans	-80.6	-2.2	175	52.8	0	0	0	0	113	L472	L472-T483 HydrophobicContact CD2-CG2 3.66Å
484	D	78.2	Confident	80	Confident	73 Å²	73	71.4 Å²	71.4	39%	0.39	37%	0.369	S	S	.	.			trans	-130.4	128.5	-172.6	-175.8	-4.9	0	0	0	110	Y473 T482 E486 N487 L488	Y473-D484 VanDerWaalsContact CD2-C 3.43Å; T482-D484 WeakPolarHBondContact CG2-O 3.49Å; T482-D484 PolarHBondContact O-N 3.34Å; T482-D484 PolarHBondContact OG1-N 2.9Å; T482-D484 VanDerWaalsContact OG1-N 3.14Å; T482-D484 PolarHBondContact OG1-O 3.38Å; D484-E486 VanDerWaalsContact C-N 3.26Å; D484-E486 PolarHBondContact O-N 3.29Å; D484-E486 PolarHBondContact OD1-N 2.98Å; D484-N487 HydrophobicContact CB-CB 4.25Å; D484-N487 WeakPolarHBondContact CB-ND2 3.45Å; D484-N487 PolarHBondContact O-N 2.97Å; D484-N487 PolarHBondContact OD2-ND2 3.43Å; D484-L488 PolarHBondContact O-N 2.89Å
485	A	81.3	Confident	79.9	Confident	30 Å²	30	73.3 Å²	73.3	25%	0.248	38%	0.38	C	S	.	.	H	α-helix	trans	-61.9	-36.4	-179.5	0	0	0	0	0	111.7	Y473 L488 R489	Y473-A485 HydrophobicContact CD1-CB 3.94Å; Y473-A485 HydrophobicContact CD2-CB 4.18Å; Y473-A485 VanDerWaalsContact CD2-N 3.25Å; Y473-A485 HydrophobicContact CE1-CB 3.56Å; Y473-A485 HydrophobicContact CE2-CB 3.82Å; Y473-A485 VanDerWaalsContact CE2-N 3.29Å; Y473-A485 HydrophobicContact CG-CB 4.23Å; A485-L488 WeakPolarHBondContact O-CB 3.42Å; A485-L488 PolarHBondContact O-N 3.07Å; A485-L488 VanDerWaalsContact O-N 3.14Å; A485-R489 WeakPolarHBondContact O-CG 3.35Å; A485-R489 PolarHBondContact O-N 3.45Å
486	E	82.9	Confident	79.9	Confident	90 Å²	90	75.2 Å²	75.2	42%	0.421	39%	0.389	S	S	.	.	H	α-helix	trans	-69.9	-37.9	-176.8	-175.1	54.9	-151.9	0	0	111.1	D484 L488 R489 Q490	D484-E486 VanDerWaalsContact C-N 3.26Å; D484-E486 PolarHBondContact O-N 3.29Å; D484-E486 PolarHBondContact OD1-N 2.98Å; E486-L488 VanDerWaalsContact C-N 3.26Å; E486-L488 PolarHBondContact O-N 2.95Å; E486-R489 WeakPolarHBondContact O-CB 3.24Å; E486-R489 PolarHBondContact O-N 3.16Å; E486-Q490 WeakPolarHBondContact O-CG 3.32Å; E486-Q490 PolarHBondContact O-N 3.05Å; E486-Q490 PolarHBondContact OE1-NE2 3.22Å
487	N	81	Confident	79.7	Confident	70 Å²	70	70.3 Å²	70.3	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-65.2	-31.8	172.5	-71.1	-34.2	0	0	0	111.8	T482 D484 H491	T482-N487 HydrophobicContact CG2-CB 4.1Å; T482-N487 VanDerWaalsContact OG1-CB 3.3Å; T482-N487 WeakPolarHBondContact OG1-CB 3.48Å; D484-N487 HydrophobicContact CB-CB 4.25Å; D484-N487 WeakPolarHBondContact CB-ND2 3.45Å; D484-N487 PolarHBondContact O-N 2.97Å; D484-N487 PolarHBondContact OD2-ND2 3.43Å; N487-H491 WeakPolarHBondContact O-CB 3.18Å; N487-H491 PolarHBondContact O-N 2.99Å
488	L	82.3	Confident	78.3	Confident	29 Å²	29	69.7 Å²	69.7	15%	0.152	38%	0.378	C	S	.	.	H	α-helix	trans	-69.3	-42.3	174.3	178.9	61.3	0	0	0	110.1	C475 T482 D484 A485 E486 H491 T492	C475-L488 VanDerWaalsContact CA-CD1 3.48Å; C475-L488 HydrophobicContact CB-CD1 3.51Å; C475-L488 VanDerWaalsContact N-CD1 3.3Å; T482-L488 HydrophobicContact CG2-CB 3.63Å; D484-L488 PolarHBondContact O-N 2.89Å; A485-L488 WeakPolarHBondContact O-CB 3.42Å; A485-L488 PolarHBondContact O-N 3.07Å; A485-L488 VanDerWaalsContact O-N 3.14Å; E486-L488 VanDerWaalsContact C-N 3.26Å; E486-L488 PolarHBondContact O-N 2.95Å; L488-H491 WeakPolarHBondContact O-CB 3.33Å; L488-H491 PolarHBondContact O-N 2.99Å; L488-T492 HydrophobicContact CD1-CG2 4.37Å; L488-T492 WeakPolarHBondContact O-CG2 3.22Å; L488-T492 PolarHBondContact O-N 3.05Å; L488-T492 PolarHBondContact O-OG1 2.55Å
489	R	83.9	Confident	76.6	Confident	157 Å²	157	75.5 Å²	75.5	59%	0.592	41%	0.406	S	S	*	.	H	α-helix	trans	-60.7	-49.1	175.9	-72	177	176.2	-135.5	-2.6	112	A485 E486 H491 T492 Q493	A485-R489 WeakPolarHBondContact O-CG 3.35Å; A485-R489 PolarHBondContact O-N 3.45Å; E486-R489 WeakPolarHBondContact O-CB 3.24Å; E486-R489 PolarHBondContact O-N 3.16Å; R489-H491 VanDerWaalsContact C-N 3.29Å; R489-H491 PolarHBondContact O-N 3.33Å; R489-T492 VanDerWaalsContact CA-OG1 3.3Å; R489-T492 WeakPolarHBondContact CA-OG1 3.43Å; R489-T492 PolarHBondContact O-N 3.36Å; R489-T492 VanDerWaalsContact O-N 3.17Å; R489-T492 PolarHBondContact O-OG1 3.25Å; R489-Q493 WeakPolarHBondContact O-CB 3.47Å; R489-Q493 WeakPolarHBondContact O-CG 3.4Å; R489-Q493 PolarHBondContact O-N 3.1Å
490	Q	81.9	Confident	74.7	Confident	94 Å²	94	84.9 Å²	84.9	44%	0.439	44%	0.442	S	S	.	.	H	α-helix	trans	-61	-40.7	175.8	-72.6	178.9	9.7	0	0	111.3	E486 Q493 T494	E486-Q490 WeakPolarHBondContact O-CG 3.32Å; E486-Q490 PolarHBondContact O-N 3.05Å; E486-Q490 PolarHBondContact OE1-NE2 3.22Å; Q490-Q493 PolarHBondContact O-N 3.14Å; Q490-T494 WeakPolarHBondContact O-CB 3.49Å; Q490-T494 VanDerWaalsContact O-CG2 3.27Å; Q490-T494 WeakPolarHBondContact O-CG2 3.27Å; Q490-T494 PolarHBondContact O-N 3.3Å; Q490-T494 PolarHBondContact O-OG1 3.06Å
491	H	81.8	Confident	72.8	Confident	20 Å²	20	84.8 Å²	84.8	9%	0.093	45%	0.452	C	S	.	.	H	α-helix	trans	-60.2	-47.7	173.1	164.9	74.4	0	0	0	111.8	C475 C478 F480 N487 L488 R489 Q493 T494 V495 H496	C475-H491 WeakPolarHBondContact CB-NE2 3.3Å; C475-H491 PolarHBondContact SG-NE2 3.16Å; C478-H491 PolarHBondContact SG-CE1 2.89Å; C478-H491 PolarHBondContact SG-NE2 3.45Å; F480-H491 HydrophobicContact CD1-CB 3.83Å; F480-H491 AromaticContact CD1-CD2 3.72Å; F480-H491 AromaticContact CD1-CG 3.41Å; F480-H491 VanDerWaalsContact CD1-CG 3.41Å; F480-H491 AromaticContact CD1-ND1 3.73Å; F480-H491 HydrophobicContact CE1-CB 3.85Å; F480-H491 AromaticContact CE1-CG 3.92Å; F480-H491 AromaticContact CG-CE1 3.88Å; F480-H491 AromaticContact CG-CG 3.88Å; F480-H491 AromaticContact CG-ND1 3.73Å; N487-H491 WeakPolarHBondContact O-CB 3.18Å; N487-H491 PolarHBondContact O-N 2.99Å; L488-H491 WeakPolarHBondContact O-CB 3.33Å; L488-H491 PolarHBondContact O-N 2.99Å; R489-H491 VanDerWaalsContact C-N 3.29Å; R489-H491 PolarHBondContact O-N 3.33Å; H491-Q493 VanDerWaalsContact C-N 3.34Å; H491-Q493 PolarHBondContact O-N 3.08Å; H491-T494 PolarHBondContact O-N 3.15Å; H491-T494 PolarHBondContact O-OG1 2.62Å; H491-V495 VanDerWaalsContact O-CB 3.24Å; H491-V495 WeakPolarHBondContact O-CB 3.49Å; H491-V495 WeakPolarHBondContact O-CG2 3.42Å; H491-V495 PolarHBondContact O-N 3.11Å; H491-H496 AromaticContact CE1-NE2 3.85Å; H491-H496 AromaticContact NE2-CD2 3.55Å; H491-H496 AromaticContact NE2-NE2 3.33Å; H491-H496 PolarHBondContact NE2-NE2 3.07Å
492	T	83.6	Confident	70.8	Confident	44 Å²	44	88.4 Å²	88.4	27%	0.27	48%	0.478	S	S	.	.	I	π-helix	trans	-61.9	-41.2	176.3	49.9	0	0	0	0	112	L488 R489 H496 V497	L488-T492 HydrophobicContact CD1-CG2 4.37Å; L488-T492 WeakPolarHBondContact O-CG2 3.22Å; L488-T492 PolarHBondContact O-N 3.05Å; L488-T492 PolarHBondContact O-OG1 2.55Å; R489-T492 VanDerWaalsContact CA-OG1 3.3Å; R489-T492 WeakPolarHBondContact CA-OG1 3.43Å; R489-T492 PolarHBondContact O-N 3.36Å; R489-T492 VanDerWaalsContact O-N 3.17Å; R489-T492 PolarHBondContact O-OG1 3.25Å; T492-H496 CarbonylContact O-C 3.5Å; T492-H496 VanDerWaalsContact O-CA 3.32Å; T492-H496 WeakPolarHBondContact O-CA 3.43Å; T492-H496 VanDerWaalsContact O-CB 3.23Å; T492-H496 WeakPolarHBondContact O-CB 3.3Å; T492-H496 PolarHBondContact O-N 2.95Å; T492-V497 PolarHBondContact O-N 2.92Å
493	Q	82.1	Confident	68.9	Low	121 Å²	121	93.8 Å²	93.8	57%	0.565	51%	0.511	S	S	*	.	I	π-helix	trans	-70.7	-33.5	179.6	-72.2	173.7	-0.6	0	0	113.2	R489 Q490 H491 V497	R489-Q493 WeakPolarHBondContact O-CB 3.47Å; R489-Q493 WeakPolarHBondContact O-CG 3.4Å; R489-Q493 PolarHBondContact O-N 3.1Å; Q490-Q493 PolarHBondContact O-N 3.14Å; H491-Q493 VanDerWaalsContact C-N 3.34Å; H491-Q493 PolarHBondContact O-N 3.08Å; Q493-V497 WeakPolarHBondContact O-CB 3.38Å
494	T	80.2	Confident	66.7	Low	112 Å²	112	93.5 Å²	93.5	69%	0.687	53%	0.526	S	S	*	.	I	π-helix	trans	-89.8	-31.2	-176.8	53.2	0	0	0	0	113.4	Q490 H491	Q490-T494 WeakPolarHBondContact O-CB 3.49Å; Q490-T494 VanDerWaalsContact O-CG2 3.27Å; Q490-T494 WeakPolarHBondContact O-CG2 3.27Å; Q490-T494 PolarHBondContact O-N 3.3Å; Q490-T494 PolarHBondContact O-OG1 3.06Å; H491-T494 PolarHBondContact O-N 3.15Å; H491-T494 PolarHBondContact O-OG1 2.62Å
495	V	77.8	Confident	64.5	Low	84 Å²	84	98.5 Å²	98.5	51%	0.509	55%	0.547	S	S	.	.	I	π-helix	trans	-101.3	-34.8	-175.2	-177.4	0	0	0	0	111.9	H491	H491-V495 VanDerWaalsContact O-CB 3.24Å; H491-V495 WeakPolarHBondContact O-CB 3.49Å; H491-V495 WeakPolarHBondContact O-CG2 3.42Å; H491-V495 PolarHBondContact O-N 3.11Å
496	H	80	Confident	62.3	Low	43 Å²	43	104.9 Å²	104.9	20%	0.199	58%	0.576	C	S	.	*	I	π-helix	trans	-108	-27.6	-172.1	-63.2	-74.6	0	0	0	113.2	C475 E477 C478 H491 T492 T498	C475-H496 PolarHBondContact SG-NE2 2.96Å; E477-H496 WeakPolarHBondContact CB-CE1 3.48Å; E477-H496 WeakPolarHBondContact CB-ND1 3.18Å; E477-H496 WeakPolarHBondContact OE2-CB 3.46Å; E477-H496 IonicContact OE2-CE1 2.77Å; E477-H496 IonicContact OE2-CG 3.53Å; E477-H496 IonicContact OE2-ND1 2.74Å; E477-H496 PolarHBondContact OE2-ND1 3.18Å; C478-H496 WeakPolarHBondContact CB-NE2 2.96Å; C478-H496 PolarHBondContact SG-NE2 2.94Å; H491-H496 AromaticContact CE1-NE2 3.85Å; H491-H496 AromaticContact NE2-CD2 3.55Å; H491-H496 AromaticContact NE2-NE2 3.33Å; H491-H496 PolarHBondContact NE2-NE2 3.07Å; T492-H496 CarbonylContact O-C 3.5Å; T492-H496 VanDerWaalsContact O-CA 3.32Å; T492-H496 WeakPolarHBondContact O-CA 3.43Å; T492-H496 VanDerWaalsContact O-CB 3.23Å; T492-H496 WeakPolarHBondContact O-CB 3.3Å; T492-H496 PolarHBondContact O-N 2.95Å; H496-T498 PolarHBondContact O-N 3.32Å
497	V	72.2	Confident	59.9	Low	92 Å²	92	108 Å²	108	56%	0.558	59%	0.594	S	S	*	*			trans	-92.3	84.9	173.4	-173.2	0	0	0	0	110.3	T492 Q493 I499	T492-V497 PolarHBondContact O-N 2.92Å; Q493-V497 WeakPolarHBondContact O-CB 3.38Å; V497-I499 PolarHBondContact O-N 2.76Å
498	T	47	Very low	57.6	Low	124 Å²	124	109.3 Å²	109.3	76%	0.761	61%	0.606	S	S	*	*			trans	-69.8	115.9	156.3	39.7	0	0	0	0	108.5	H496 K500	H496-T498 PolarHBondContact O-N 3.32Å; T498-K500 PolarHBondContact O-N 3.13Å
499	I	43.2	Very low	55.2	Low	149 Å²	149	113.8 Å²	113.8	76%	0.764	64%	0.635	S	S	*	*			trans	-43.2	111.2	174.8	-62.6	165.2	0	0	0	109.5	V497 S501	V497-I499 PolarHBondContact O-N 2.76Å; I499-S501 VanDerWaalsContact C-N 3.33Å; I499-S501 PolarHBondContact O-N 3.32Å
500	K	36.7	Very low	52.7	Low	214 Å²	214	113.1 Å²	113.1	93%	0.93	64%	0.643	S	S	*	*			trans	-64.1	99.1	158.7	-79.2	-174.9	175.8	-176.6	0	106.7	T498	T498-K500 PolarHBondContact O-N 3.13Å
501	S	35.8	Very low	50.4	Low	87 Å²	87	114.1 Å²	114.1	61%	0.608	66%	0.656	S	S	*	*			trans	-77.6	125.4	174.9	49.2	0	0	0	0	111	I499 T503	I499-S501 VanDerWaalsContact C-N 3.33Å; I499-S501 PolarHBondContact O-N 3.32Å; S501-T503 PolarHBondContact O-N 3.43Å
502	S	36.3	Very low	47.9	Very low	114 Å²	114	118 Å²	118	80%	0.797	69%	0.686	S	S	*	*	S	Bend	trans	71.6	15.6	137.6	64.5	0	0	0	0	122.4
503	T	41.2	Very low	45.3	Very low	129 Å²	129	121.1 Å²	121.1	79%	0.791	71%	0.709	S	S	*	*			trans	-136.5	92.4	167.7	56.2	0	0	0	0	113.2	S501 E505	S501-T503 PolarHBondContact O-N 3.43Å; T503-E505 PolarHBondContact O-N 2.94Å; T503-E505 VanDerWaalsContact O-N 3.11Å
504	G	31.3	Very low	42.9	Very low	87 Å²	87	120.5 Å²	120.5	90%	0.897	72%	0.718	S	S	*	*				73.6	6.1	118.6	0	0	0	0	0	122.3
505	E	31.9	Very low	40.4	Very low	179 Å²	179	123.1 Å²	123.1	84%	0.836	73%	0.727	S	S	*	*			trans	-128.3	99.8	172.6	-76.5	-175.4	164.3	0	0	112.7	T503 L507	T503-E505 PolarHBondContact O-N 2.94Å; T503-E505 VanDerWaalsContact O-N 3.11Å; E505-L507 PolarHBondContact O-N 3Å
506	I	36	Very low	38.2	Very low	164 Å²	164	125.5 Å²	125.5	84%	0.841	74%	0.736	S	S	*	*			trans	-74.4	110.3	160.3	-60.9	168.6	0	0	0	106.1
507	L	32.5	Very low	35.8	Very low	155 Å²	155	131.5 Å²	131.5	81%	0.812	76%	0.764	S	S	*	*			trans	-101.4	135.9	154.3	-116.2	89.2	0	0	0	108.8	E505	E505-L507 PolarHBondContact O-N 3Å
508	P	31.4	Very low	33.9	Very low	97 Å²	97	134.2 Å²	134.2	63%	0.63	78%	0.775	S	S	*	*			trans	-82.4	156.6	-156.3	14.6	-1.4	0	0	0	113	N510	P508-N510 PolarHBondContact O-N 3.42Å
509	T	32.7	Very low	32.9	Very low	123 Å²	123	136.6 Å²	136.6	76%	0.755	78%	0.775	S	S	*	*			trans	-20.1	124.2	151.2	52.5	0	0	0	0	113.2
510	N	30.9	Very low	32.5	Very low	143 Å²	143	135 Å²	135	77%	0.765	77%	0.774	S	S	*	*			trans	-156.1	125.3	143.2	-93.1	-30.8	0	0	0	111.8	P508	P508-N510 PolarHBondContact O-N 3.42Å
511	T	34.7	Very low	32.2	Very low	115 Å²	115	136.5 Å²	136.5	71%	0.706	79%	0.792	S	S	*	*			trans	69.8	101.4	144.2	60.4	0	0	0	0	118.3
512	S	28.3	Very low	32.1	Very low	103 Å²	103	139 Å²	139	72%	0.72	80%	0.802	S	S	*	*				5.8	133.3	116.8	52.2	0	0	0	0	115.9
513	S	29.1	Very low	31.8	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	80%	0.802	S	S	*	*			trans	109.3	81.2	164.9	-48.6	0	0	0	0	114.4
514	S	31.8	Very low	31.3	Very low	108 Å²	108	140.9 Å²	140.9	76%	0.755	80%	0.802	S	S	*	*			trans	-158.6	55.2	134.4	-80.5	0	0	0	0	109.2	L516	S514-L516 PolarHBondContact O-N 3.25Å
515	L	28.2	Very low	31.3	Very low	167 Å²	167	144.1 Å²	144.1	87%	0.874	80%	0.797	S	S	*	*			trans	-68.4	81.6	142.8	-76.4	174.5	0	0	0	105.7	Q517	L515-Q517 PolarHBondContact O-N 3.06Å
516	L	31	Very low	31.3	Very low	134 Å²	134	141.9 Å²	141.9	70%	0.702	79%	0.794	S	S	*	*			trans	-72.6	80.7	163	-77.5	175.6	0	0	0	107.4	S514 L518	S514-L516 PolarHBondContact O-N 3.25Å; L516-L518 PolarHBondContact O-N 3.33Å; L516-L518 VanDerWaalsContact O-N 3.09Å
517	Q	29.9	Very low	31	Very low	169 Å²	169	140.4 Å²	140.4	79%	0.79	79%	0.791	S	S	*	*			trans	-55.3	96.5	140.9	-80.8	176.7	-42.5	0	0	107	L515	L515-Q517 PolarHBondContact O-N 3.06Å
518	L	31.1	Very low	30.9	Very low	148 Å²	148	139.4 Å²	139.4	78%	0.775	79%	0.79	S	S	*	*			trans	-108.2	80.5	154.2	-71.4	171.9	0	0	0	107	L516	L516-L518 PolarHBondContact O-N 3.33Å; L516-L518 VanDerWaalsContact O-N 3.09Å
519	F	27.6	Very low	30.8	Very low	175 Å²	175	142.6 Å²	142.6	77%	0.768	80%	0.802	S	S	*	*			trans	-113.6	157.7	144.6	-74.4	-76.8	0	0	0	105.7
520	P	34.7	Very low	30.7	Very low	115 Å²	115	144.3 Å²	144.3	75%	0.747	81%	0.806	S	S	*	*			cis	-134.5	146.9	-0.9	33.5	-13.9	0	0	0	114.9
521	N	30.7	Very low	30.6	Very low	245 Å²	245	144.4 Å²	144.4	100%	1.31	81%	0.81	S	S	*	*			trans	-160.7	0	135.4	-109	-14.1	0	0	0	108.6

Retrieved 521 of 521 residues in 64.9 ms (Link to these results)

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