A0AA82N1D4_SCHMA Loading...

Peptidase_S8 domain-containing protein

AlphaFold DB (A0A5K4F4K4), UniProt , Accession A0AA82N1D4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 398 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	42.1	Very low	61	Low	238 Å²	238	84.5 Å²	84.5	100%	1.172	47%	0.468	S	S	*	.				0	117.3	0	-88	-175.9	-90.3	0	0	107.7	N3	M1-N3 PolarHBondContact O-N 3.35Å
2	I	49	Very low	62.5	Low	154 Å²	154	86.9 Å²	86.9	79%	0.79	47%	0.47	S	S	*	.			trans	-66.1	121	166.7	-63.9	169.1	0	0	0	105.3	A4	I2-A4 PolarHBondContact O-N 2.91Å
3	N	52.9	Low	64.1	Low	30 Å²	30	90.3 Å²	90.3	16%	0.16	48%	0.48	C	S	.	.			trans	-62.9	108.3	-179.9	-173.2	11.4	0	0	0	108.1	M1 F5 S6 M360 D363	M1-N3 PolarHBondContact O-N 3.35Å; N3-F5 PolarHBondContact O-N 3.1Å; N3-F5 VanDerWaalsContact O-N 3.07Å; N3-S6 PolarHBondContact O-N 3.14Å; N3-M360 HydrophobicContact CB-CE 4.29Å; N3-M360 HydrophobicContact CB-SD 4.28Å; N3-M360 PolarHBondContact ND2-SD 2.88Å; N3-M360 PolarHBondContact OD1-SD 3.28Å; N3-M360 VanDerWaalsContact OD1-SD 3.39Å; N3-D363 PolarHBondContact ND2-OD2 3.38Å
4	A	58.4	Low	65.5	Low	72 Å²	72	91.1 Å²	91.1	60%	0.595	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.6	-175.2	0	0	0	0	0	112.4	I2 S7	I2-A4 PolarHBondContact O-N 2.91Å; A4-S7 PolarHBondContact O-OG 3.34Å
5	F	57.7	Low	66.9	Low	96 Å²	96	91.3 Å²	91.3	42%	0.421	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-37.8	175	-64	-73.9	0	0	0	112.7	N3 S7 L8	N3-F5 PolarHBondContact O-N 3.1Å; N3-F5 VanDerWaalsContact O-N 3.07Å; F5-S7 PolarHBondContact O-N 3.15Å; F5-S7 VanDerWaalsContact O-N 3.15Å; F5-L8 WeakPolarHBondContact O-CB 3.4Å; F5-L8 PolarHBondContact O-N 3.01Å
6	S	58.3	Low	67.9	Low	13 Å²	13	86.4 Å²	86.4	9%	0.091	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.9	178.7	112.8	0	0	0	0	113	N3 K12 D363	N3-S6 PolarHBondContact O-N 3.14Å; S6-K12 PolarHBondContact OG-NZ 2.96Å; S6-K12 VanDerWaalsContact OG-NZ 3.16Å; S6-D363 WeakPolarHBondContact CA-OD1 3.5Å; S6-D363 WeakPolarHBondContact CA-OD2 3.36Å; S6-D363 WeakPolarHBondContact CB-OD1 3.49Å; S6-D363 WeakPolarHBondContact CB-OD2 3.41Å; S6-D363 PolarHBondContact N-OD2 2.97Å
7	S	59.1	Low	68.7	Low	77 Å²	77	84.8 Å²	84.8	54%	0.538	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-12	176.1	50.9	0	0	0	0	113.6	A4 F5	A4-S7 PolarHBondContact O-OG 3.34Å; F5-S7 PolarHBondContact O-N 3.15Å; F5-S7 VanDerWaalsContact O-N 3.15Å
8	L	68.4	Low	69.6	Low	131 Å²	131	84.8 Å²	84.8	69%	0.686	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-38.4	-175.1	-167	67.5	0	0	0	111.9	F5	F5-L8 WeakPolarHBondContact O-CB 3.4Å; F5-L8 PolarHBondContact O-N 3.01Å
9	L	72.2	Confident	70.5	Confident	29 Å²	29	85.9 Å²	85.9	15%	0.152	45%	0.451	C	S	.	.	S	Bend	trans	-102.3	125.8	173.2	-64.7	174.5	0	0	0	108.7	K11 I335 D365	L9-K11 HydrophobicContact CB-CG 4.13Å; L9-K11 PolarHBondContact O-N 2.82Å; L9-I335 HydrophobicContact CD2-CB 4.25Å; L9-I335 HydrophobicContact CD2-CG1 3.55Å; L9-I335 HydrophobicContact CD2-CG2 4.34Å; L9-D365 WeakPolarHBondContact CD1-O 3.4Å
10	P	76.5	Confident	71.1	Confident	68 Å²	68	83.7 Å²	83.7	44%	0.442	44%	0.439	S	S	.	.			trans	-75.9	40.3	-174.7	32.5	-37	0	0	0	113.3	K12 Q13 I14	P10-K12 VanDerWaalsContact C-N 3.34Å; P10-K12 PolarHBondContact O-N 3.39Å; P10-Q13 VanDerWaalsContact C-OE1 3.22Å; P10-Q13 HydrophobicContact CB-CB 4.22Å; P10-Q13 PolarHBondContact O-N 2.99Å; P10-Q13 PolarHBondContact O-OE1 3.07Å; P10-I14 WeakPolarHBondContact O-CG1 3.17Å; P10-I14 PolarHBondContact O-N 3.33Å; P10-I14 VanDerWaalsContact O-N 3.08Å
11	K	76.6	Confident	71.7	Confident	22 Å²	22	85.9 Å²	85.9	10%	0.096	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-42.7	-174.6	-71.8	-179.8	-179.8	170.5	0	112.7	L9 I14 N15 S16 C362 D363 D365	L9-K11 HydrophobicContact CB-CG 4.13Å; L9-K11 PolarHBondContact O-N 2.82Å; K11-I14 WeakPolarHBondContact O-CG1 3.37Å; K11-I14 PolarHBondContact O-N 2.86Å; K11-N15 PolarHBondContact O-N 3.3Å; K11-S16 WeakPolarHBondContact CA-OG 3.38Å; K11-S16 WeakPolarHBondContact CB-OG 3.32Å; K11-S16 PolarHBondContact O-N 2.84Å; K11-S16 PolarHBondContact O-OG 3Å; K11-C362 PolarHBondContact NZ-O 3Å; K11-D363 PolarHBondContact NZ-O 3.46Å; K11-D365 WeakPolarHBondContact CE-O 3.42Å; K11-D365 PolarHBondContact NZ-O 2.9Å
12	K	79.3	Confident	74	Confident	113 Å²	113	79.7 Å²	79.7	49%	0.491	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-42.6	177	-75.1	173.6	178.4	172	0	111.4	S6 P10 I14 N15 D17	S6-K12 PolarHBondContact OG-NZ 2.96Å; S6-K12 VanDerWaalsContact OG-NZ 3.16Å; P10-K12 VanDerWaalsContact C-N 3.34Å; P10-K12 PolarHBondContact O-N 3.39Å; K12-I14 VanDerWaalsContact C-N 3.28Å; K12-I14 PolarHBondContact O-N 3.04Å; K12-N15 PolarHBondContact O-N 2.85Å; K12-N15 VanDerWaalsContact O-N 3.15Å; K12-N15 PolarHBondContact O-OD1 3.5Å; K12-D17 VanDerWaalsContact CG-OD2 3.25Å; K12-D17 WeakPolarHBondContact CG-OD2 3.44Å
13	Q	82.5	Confident	75.9	Confident	131 Å²	131	76.7 Å²	76.7	61%	0.612	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-32.5	-178.8	-66.9	83.1	-15.4	0	0	111.9	P10	P10-Q13 VanDerWaalsContact C-OE1 3.22Å; P10-Q13 HydrophobicContact CB-CB 4.22Å; P10-Q13 PolarHBondContact O-N 2.99Å; P10-Q13 PolarHBondContact O-OE1 3.07Å
14	I	84.4	Confident	77.3	Confident	101 Å²	101	78.9 Å²	78.9	52%	0.518	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	4.8	175.5	72	179.2	0	0	0	113.2	P10 K11 K12 S16 V367	P10-I14 WeakPolarHBondContact O-CG1 3.17Å; P10-I14 PolarHBondContact O-N 3.33Å; P10-I14 VanDerWaalsContact O-N 3.08Å; K11-I14 WeakPolarHBondContact O-CG1 3.37Å; K11-I14 PolarHBondContact O-N 2.86Å; K12-I14 VanDerWaalsContact C-N 3.28Å; K12-I14 PolarHBondContact O-N 3.04Å; I14-S16 PolarHBondContact O-N 3.44Å; I14-S16 VanDerWaalsContact O-N 3.12Å; I14-V367 HydrophobicContact CD1-CG2 4.09Å
15	N	85.6	Confident	78.6	Confident	94 Å²	94	84.5 Å²	84.5	50%	0.503	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	23.2	-176.8	-59.5	-44.4	0	0	0	115.2	K11 K12 D17 I18 F19	K11-N15 PolarHBondContact O-N 3.3Å; K12-N15 PolarHBondContact O-N 2.85Å; K12-N15 VanDerWaalsContact O-N 3.15Å; K12-N15 PolarHBondContact O-OD1 3.5Å; N15-D17 VanDerWaalsContact C-N 3.3Å; N15-D17 PolarHBondContact O-N 2.75Å; N15-I18 HydrophobicContact CB-CD1 4.35Å; N15-I18 PolarHBondContact O-N 3.41Å; N15-F19 WeakPolarHBondContact O-CB 3.35Å; N15-F19 PolarHBondContact O-N 2.6Å
16	S	83.4	Confident	80	Confident	13 Å²	13	83.3 Å²	83.3	9%	0.091	44%	0.442	C	S	.	.	H	α-helix	trans	-68.4	-30.3	179.5	57.4	0	0	0	0	112.8	K11 I14 L20	K11-S16 WeakPolarHBondContact CA-OG 3.38Å; K11-S16 WeakPolarHBondContact CB-OG 3.32Å; K11-S16 PolarHBondContact O-N 2.84Å; K11-S16 PolarHBondContact O-OG 3Å; I14-S16 PolarHBondContact O-N 3.44Å; I14-S16 VanDerWaalsContact O-N 3.12Å; S16-L20 WeakPolarHBondContact O-CB 3.5Å; S16-L20 WeakPolarHBondContact O-CG 3.18Å; S16-L20 PolarHBondContact O-N 3.13Å
17	D	81.3	Confident	81.5	Confident	59 Å²	59	83.9 Å²	83.9	32%	0.316	44%	0.444	S	S	.	.	H	α-helix	trans	-67.6	-45.4	174.8	58.8	-30.9	0	0	0	111.7	K12 N15 L20 N21	K12-D17 VanDerWaalsContact CG-OD2 3.25Å; K12-D17 WeakPolarHBondContact CG-OD2 3.44Å; N15-D17 VanDerWaalsContact C-N 3.3Å; N15-D17 PolarHBondContact O-N 2.75Å; D17-L20 PolarHBondContact O-N 2.77Å; D17-N21 WeakPolarHBondContact O-CB 3.43Å; D17-N21 PolarHBondContact O-N 3.18Å
18	I	85.3	Confident	83.1	Confident	86 Å²	86	80.9 Å²	80.9	44%	0.441	43%	0.426	S	S	.	.	H	α-helix	trans	-61.2	-47.4	173.8	-58.8	174.9	0	0	0	109.7	N15 L20 N21 D22	N15-I18 HydrophobicContact CB-CD1 4.35Å; N15-I18 PolarHBondContact O-N 3.41Å; I18-L20 PolarHBondContact O-N 2.99Å; I18-N21 WeakPolarHBondContact O-CB 3.35Å; I18-N21 PolarHBondContact O-N 3.49Å; I18-D22 PolarHBondContact O-N 2.98Å
19	F	86.8	Confident	84.2	Confident	105 Å²	105	77.4 Å²	77.4	46%	0.461	41%	0.412	S	S	.	.	H	α-helix	trans	-59.4	-46.2	-179.8	-178.7	-93.3	0	0	0	112.7	N15 N21 D22 H23 C26	N15-F19 WeakPolarHBondContact O-CB 3.35Å; N15-F19 PolarHBondContact O-N 2.6Å; F19-N21 VanDerWaalsContact C-N 3.33Å; F19-D22 PolarHBondContact O-N 3.43Å; F19-H23 AromaticContact CD2-ND1 3.96Å; F19-H23 HydrophobicContact CE1-CB 4.46Å; F19-H23 AromaticContact CE2-ND1 3.92Å; F19-H23 HydrophobicContact CZ-CB 4.45Å; F19-H23 WeakPolarHBondContact O-CB 3.49Å; F19-H23 PolarHBondContact O-N 2.98Å; F19-H23 PolarHBondContact O-ND1 2.82Å; F19-C26 HydrophobicContact CE1-CB 3.7Å; F19-C26 HydrophobicContact CZ-CB 4.12Å
20	L	83	Confident	85.1	Confident	41 Å²	41	82.6 Å²	82.6	22%	0.215	44%	0.444	C	S	.	.	H	α-helix	trans	-67.5	-33.1	177.3	-75.6	175.4	0	0	0	112.5	S16 D17 I18 H23 A24 C26 N27	S16-L20 WeakPolarHBondContact O-CB 3.5Å; S16-L20 WeakPolarHBondContact O-CG 3.18Å; S16-L20 PolarHBondContact O-N 3.13Å; D17-L20 PolarHBondContact O-N 2.77Å; I18-L20 PolarHBondContact O-N 2.99Å; L20-H23 CarbonylContact O-C 3.54Å; L20-H23 VanDerWaalsContact O-C 3.27Å; L20-A24 WeakPolarHBondContact O-CA 2.9Å; L20-A24 PolarHBondContact O-N 2.94Å; L20-C26 WeakPolarHBondContact CD2-O 3.48Å; L20-N27 HydrophobicContact CD2-CB 4.24Å
21	N	83.7	Confident	86.1	Confident	131 Å²	131	82.6 Å²	82.6	70%	0.701	44%	0.443	S	S	*	.	H	α-helix	trans	-65.7	-43.1	175.1	-175.5	72.7	0	0	0	111.5	D17 I18 F19	D17-N21 WeakPolarHBondContact O-CB 3.43Å; D17-N21 PolarHBondContact O-N 3.18Å; I18-N21 WeakPolarHBondContact O-CB 3.35Å; I18-N21 PolarHBondContact O-N 3.49Å; F19-N21 VanDerWaalsContact C-N 3.33Å
22	D	89.4	Confident	87	Confident	107 Å²	107	89.7 Å²	89.7	57%	0.572	47%	0.469	S	S	*	.	H	α-helix	trans	-76.2	-27.1	179.5	-65.8	-9.3	0	0	0	112.2	I18 F19	I18-D22 PolarHBondContact O-N 2.98Å; F19-D22 PolarHBondContact O-N 3.43Å
23	H	88.7	Confident	87.9	Confident	91 Å²	91	86.6 Å²	86.6	42%	0.421	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	65.2	-177	-54.1	85.5	0	0	0	111.3	F19 L20 K25 C26	F19-H23 AromaticContact CD2-ND1 3.96Å; F19-H23 HydrophobicContact CE1-CB 4.46Å; F19-H23 AromaticContact CE2-ND1 3.92Å; F19-H23 HydrophobicContact CZ-CB 4.45Å; F19-H23 WeakPolarHBondContact O-CB 3.49Å; F19-H23 PolarHBondContact O-N 2.98Å; F19-H23 PolarHBondContact O-ND1 2.82Å; L20-H23 CarbonylContact O-C 3.54Å; L20-H23 VanDerWaalsContact O-C 3.27Å; H23-K25 PolarHBondContact O-N 2.87Å; H23-C26 HydrophobicContact CB-CB 3.88Å; H23-C26 WeakPolarHBondContact O-CB 3.33Å; H23-C26 PolarHBondContact O-N 3.12Å
24	A	82.8	Confident	88.6	Confident	77 Å²	77	83.1 Å²	83.1	64%	0.636	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.7	-175.5	0	0	0	0	0	115	L20 C26	L20-A24 WeakPolarHBondContact O-CA 2.9Å; L20-A24 PolarHBondContact O-N 2.94Å; A24-C26 VanDerWaalsContact C-N 3.34Å
25	K	85.1	Confident	89.3	Confident	189 Å²	189	78.7 Å²	78.7	82%	0.822	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.4	176.7	-65	-175.2	179.8	-179	0	113.7	H23 N27	H23-K25 PolarHBondContact O-N 2.87Å; K25-N27 PolarHBondContact O-N 3.07Å; K25-N27 VanDerWaalsContact O-N 3.14Å
26	C	88.8	Confident	89.8	Confident	71 Å²	71	78.8 Å²	78.8	48%	0.48	42%	0.422	S	S	.	.			trans	-87.8	42.9	-178.9	-63.5	0	0	0	0	111.8	F19 L20 H23 A24 G28	F19-C26 HydrophobicContact CE1-CB 3.7Å; F19-C26 HydrophobicContact CZ-CB 4.12Å; L20-C26 WeakPolarHBondContact CD2-O 3.48Å; H23-C26 HydrophobicContact CB-CB 3.88Å; H23-C26 WeakPolarHBondContact O-CB 3.33Å; H23-C26 PolarHBondContact O-N 3.12Å; A24-C26 VanDerWaalsContact C-N 3.34Å; C26-G28 VanDerWaalsContact C-N 3.3Å; C26-G28 PolarHBondContact O-N 3.1Å
27	N	89.2	Confident	90.5	Very high	25 Å²	25	79.4 Å²	79.4	13%	0.134	43%	0.425	C	S	.	.	S	Bend	trans	-85.3	0.7	-179.4	70.4	-3.3	0	0	0	113.7	L20 K25 C29 A368 P369 G370	L20-N27 HydrophobicContact CD2-CB 4.24Å; K25-N27 PolarHBondContact O-N 3.07Å; K25-N27 VanDerWaalsContact O-N 3.14Å; N27-C29 VanDerWaalsContact OD1-CB 3.32Å; N27-C29 WeakPolarHBondContact OD1-CB 3.29Å; N27-C29 PolarHBondContact OD1-N 2.67Å; N27-A368 CarbonylContact O-C 3.52Å; N27-A368 VanDerWaalsContact O-CA 3.23Å; N27-A368 WeakPolarHBondContact O-CA 3.41Å; N27-P369 HydrophobicContact CB-CG 4.31Å; N27-G370 VanDerWaalsContact O-CA 3.29Å; N27-G370 WeakPolarHBondContact O-CA 3.44Å; N27-G370 PolarHBondContact O-N 3.06Å
28	G	92.8	Very high	91.2	Very high	15 Å²	15	77 Å²	77	16%	0.155	41%	0.412	C	S	.	.	S	Bend	trans	89.8	14	-177.2	0	0	0	0	0	115.4	C26 V30 T31 G370 A371	C26-G28 VanDerWaalsContact C-N 3.3Å; C26-G28 PolarHBondContact O-N 3.1Å; G28-V30 PolarHBondContact O-N 2.86Å; G28-T31 WeakPolarHBondContact O-CA 3.43Å; G28-T31 WeakPolarHBondContact O-CB 3.37Å; G28-T31 PolarHBondContact O-N 2.89Å; G28-G370 CarbonylContact O-C 3.27Å; G28-A371 WeakPolarHBondContact O-CA 3.45Å; G28-A371 PolarHBondContact O-N 3.11Å
29	C	91.3	Very high	91.8	Very high	58 Å²	58	73 Å²	73	39%	0.392	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.4	-178.1	60.1	0	0	0	0	115.7	N27 G370	N27-C29 VanDerWaalsContact OD1-CB 3.32Å; N27-C29 WeakPolarHBondContact OD1-CB 3.29Å; N27-C29 PolarHBondContact OD1-N 2.67Å; C29-G370 WeakPolarHBondContact CA-O 2.94Å
30	V	92	Very high	92.4	Very high	138 Å²	138	68 Å²	68	84%	0.836	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	3.5	176.2	-61.4	0	0	0	0	113.6	G28	G28-V30 PolarHBondContact O-N 2.86Å
31	T	95.9	Very high	93.1	Very high	67 Å²	67	67.8 Å²	67.8	41%	0.411	37%	0.369	S	S	.	.			trans	-105.9	135.3	-172.8	-56.9	0	0	0	0	111.1	G28 I33 A371 Q372	G28-T31 WeakPolarHBondContact O-CA 3.43Å; G28-T31 WeakPolarHBondContact O-CB 3.37Å; G28-T31 PolarHBondContact O-N 2.89Å; T31-I33 HydrophobicContact CG2-CG1 4.24Å; T31-A371 WeakPolarHBondContact O-CA 3.13Å; T31-Q372 PolarHBondContact O-N 3.4Å
32	R	96.5	Very high	93.8	Very high	171 Å²	171	61.7 Å²	61.7	65%	0.645	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.3	165.6	-74.4	-178.9	-179.5	175.2	2.5	110.2	Q372	R32-Q372 CarbonylContact C-O 3.38Å; R32-Q372 WeakPolarHBondContact CA-O 3.34Å; R32-Q372 HydrophobicContact CG-CB 4.12Å
33	I	98.2	Very high	94.1	Very high	48 Å²	48	58.5 Å²	58.5	25%	0.246	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.3	179.2	-58.1	175.8	0	0	0	108.3	T31 V35 A336 A371 Q372 I373 V374	T31-I33 HydrophobicContact CG2-CG1 4.24Å; I33-V35 HydrophobicContact CG2-CG2 4.14Å; I33-A336 HydrophobicContact CD1-CB 4.07Å; I33-A371 HydrophobicContact CD1-CB 3.8Å; I33-A371 HydrophobicContact CG1-CB 4.16Å; I33-Q372 PolarHBondContact N-O 2.94Å; I33-I373 CarbonylContact O-C 3.46Å; I33-I373 VanDerWaalsContact O-CA 3.25Å; I33-I373 WeakPolarHBondContact O-CA 3.45Å; I33-V374 PolarHBondContact O-N 3.37Å
34	A	97.7	Very high	94.5	Very high	58 Å²	58	55.1 Å²	55.1	48%	0.479	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.1	169	0	0	0	0	0	109.3	V374 I376	A34-V374 CarbonylContact C-O 3.49Å; A34-V374 WeakPolarHBondContact CA-O 3.43Å; A34-I376 HydrophobicContact CB-CD1 4.32Å
35	V	98.2	Very high	95	Very high	8 Å²	8	55 Å²	55	5%	0.048	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	103.3	178.4	178.7	0	0	0	0	108.6	I33 D37 I40 V332 A333 I373 V374 I376	I33-V35 HydrophobicContact CG2-CG2 4.14Å; V35-D37 HydrophobicContact CG1-CB 4.02Å; V35-D37 PolarHBondContact O-N 2.7Å; V35-I40 HydrophobicContact CB-CD1 4.09Å; V35-I40 HydrophobicContact CG1-CD1 4.32Å; V35-I40 HydrophobicContact CG2-CD1 4.32Å; V35-V332 HydrophobicContact CG1-CB 4.38Å; V35-V332 HydrophobicContact CG1-CG1 4.02Å; V35-A333 HydrophobicContact CG2-CB 4.2Å; V35-I373 HydrophobicContact CB-CG2 4.36Å; V35-I373 HydrophobicContact CG2-CG2 3.81Å; V35-V374 PolarHBondContact N-O 3.21Å; V35-I376 PolarHBondContact O-N 3.06Å
36	W	97	Very high	95.4	Very high	96 Å²	96	46.2 Å²	46.2	36%	0.364	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	91.6	178.7	-67.5	21.9	0	0	0	109.1	I376 I378 L392 A395 V396	W36-I376 WeakPolarHBondContact CA-O 3.49Å; W36-I376 HydrophobicContact CG-CB 4.32Å; W36-I376 VanDerWaalsContact NE1-CD1 3.27Å; W36-I378 HydrophobicContact CB-CD1 4.27Å; W36-I378 HydrophobicContact CB-CG2 4.29Å; W36-L392 HydrophobicContact CE3-CD2 4.44Å; W36-A395 HydrophobicContact CD2-CB 3.92Å; W36-A395 HydrophobicContact CE3-CB 3.89Å; W36-A395 HydrophobicContact CH2-CB 4.02Å; W36-A395 HydrophobicContact CZ2-CB 4.01Å; W36-A395 WeakPolarHBondContact CZ2-O 3.47Å; W36-A395 HydrophobicContact CZ3-CB 3.95Å; W36-V396 HydrophobicContact CH2-CB 4.06Å; W36-V396 HydrophobicContact CH2-CG2 3.4Å; W36-V396 HydrophobicContact CZ3-CG2 3.76Å
37	D	97.2	Very high	95.8	Very high	27 Å²	27	43 Å²	43	14%	0.144	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-146.5	-172.2	-155.7	-77.5	0	0	0	110.6	V35 G39 H328 G329 I376 K377 I378 S379	V35-D37 HydrophobicContact CG1-CB 4.02Å; V35-D37 PolarHBondContact O-N 2.7Å; D37-G39 PolarHBondContact O-N 2.79Å; D37-H328 IonicContact OD1-CE1 2.71Å; D37-H328 IonicContact OD1-CG 3.44Å; D37-H328 IonicContact OD1-ND1 3.7Å; D37-H328 PolarHBondContact OD1-ND1 3.31Å; D37-H328 IonicContact OD2-CE1 2.66Å; D37-H328 PolarHBondContact OD2-CE1 2.77Å; D37-H328 IonicContact OD2-ND1 3.15Å; D37-H328 PolarHBondContact OD2-ND1 2.92Å; D37-G329 WeakPolarHBondContact OD1-CA 3.4Å; D37-G329 PolarHBondContact OD1-N 3.24Å; D37-G329 VanDerWaalsContact OD1-N 3.12Å; D37-I376 PolarHBondContact N-O 3.11Å; D37-K377 CarbonylContact O-C 3.49Å; D37-K377 WeakPolarHBondContact O-CA 3.48Å; D37-I378 WeakPolarHBondContact O-CG1 2.9Å; D37-I378 PolarHBondContact O-N 3.42Å; D37-S379 PolarHBondContact O-N 3.32Å
38	T	96.9	Very high	96.1	Very high	8 Å²	8	45 Å²	45	5%	0.049	26%	0.257	C	S	.	.	S	Bend	trans	-80	6.1	-178	48.7	0	0	0	0	114	N324 N325 G329 S379 P385	T38-N324 WeakPolarHBondContact O-CA 3.49Å; T38-N325 PolarHBondContact O-N 3.03Å; T38-G329 PolarHBondContact OG1-N 2.98Å; T38-S379 VanDerWaalsContact CA-OG 3.31Å; T38-S379 WeakPolarHBondContact CA-OG 3.12Å; T38-P385 HydrophobicContact CG2-CB 4.22Å
39	G	97.6	Very high	96.3	Very high	2 Å²	2	47.5 Å²	47.5	2%	0.021	27%	0.267	C	S	.	.			trans	88.3	161.2	-170.2	0	0	0	0	0	112.4	D37 G329	D37-G39 PolarHBondContact O-N 2.79Å; G39-G329 WeakPolarHBondContact O-CA 3.48Å
40	I	98.5	Very high	96.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.249	C	C	.	.			trans	-111.4	140.4	179.9	-63.9	170.1	0	0	0	108.9	V35 P42 L47 I57 M60 A333 I373 S375	V35-I40 HydrophobicContact CB-CD1 4.09Å; V35-I40 HydrophobicContact CG1-CD1 4.32Å; V35-I40 HydrophobicContact CG2-CD1 4.32Å; I40-P42 WeakPolarHBondContact O-CD 3.1Å; I40-L47 HydrophobicContact CG2-CD1 3.67Å; I40-I57 HydrophobicContact CB-CD1 4.41Å; I40-I57 HydrophobicContact CG2-CD1 3.53Å; I40-I57 HydrophobicContact CG2-CG1 4.49Å; I40-M60 WeakPolarHBondContact O-CE 3.5Å; I40-A333 HydrophobicContact CD1-CB 3.43Å; I40-A333 VanDerWaalsContact CD1-CB 3.43Å; I40-A333 HydrophobicContact CG1-CB 3.92Å; I40-I373 HydrophobicContact CD1-CG2 3.53Å; I40-S375 WeakPolarHBondContact CB-OG 3.22Å; I40-S375 WeakPolarHBondContact CG1-OG 3.36Å; I40-S375 PolarHBondContact N-OG 3.01Å
41	D	98	Very high	96.5	Very high	36 Å²	36	40.4 Å²	40.4	19%	0.193	22%	0.223	C	C	.	.			trans	-72.6	116.7	169.1	-178.8	-11.9	0	0	0	109.4	T43 A44 T330	D41-T43 VanDerWaalsContact CG-OG1 3.26Å; D41-T43 PolarHBondContact O-N 3.4Å; D41-T43 VanDerWaalsContact O-N 3.14Å; D41-T43 WeakPolarHBondContact OD1-CB 3.31Å; D41-T43 PolarHBondContact OD1-N 2.84Å; D41-T43 PolarHBondContact OD1-OG1 2.93Å; D41-T43 PolarHBondContact OD2-OG1 2.77Å; D41-A44 WeakPolarHBondContact O-CB 3.4Å; D41-A44 PolarHBondContact O-N 3.15Å; D41-T330 HydrophobicContact CB-CG2 4.27Å; D41-T330 PolarHBondContact N-OG1 3.49Å
42	P	97.7	Very high	96.3	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.026	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.5	-178.4	29.3	-35.2	0	0	0	113	I40 Q48 M60 Y297 T309	I40-P42 WeakPolarHBondContact O-CD 3.1Å; P42-Q48 PolarHBondContact O-NE2 2.92Å; P42-M60 HydrophobicContact CB-CE 4.24Å; P42-M60 HydrophobicContact CB-SD 4Å; P42-M60 HydrophobicContact CG-CE 4.49Å; P42-Y297 HydrophobicContact CB-CD1 3.98Å; P42-Y297 HydrophobicContact CB-CG 4.1Å; P42-Y297 HydrophobicContact CG-CD1 4.42Å; P42-Y297 HydrophobicContact CG-CG 4.04Å; P42-T309 HydrophobicContact CB-CG2 4.2Å; P42-T309 HydrophobicContact CG-CG2 4.27Å
43	T	96.7	Very high	96.1	Very high	40 Å²	40	36.4 Å²	36.4	25%	0.245	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-4.8	-178.6	73.3	0	0	0	0	113.8	D41 A45 Y297 Y307	D41-T43 VanDerWaalsContact CG-OG1 3.26Å; D41-T43 PolarHBondContact O-N 3.4Å; D41-T43 VanDerWaalsContact O-N 3.14Å; D41-T43 WeakPolarHBondContact OD1-CB 3.31Å; D41-T43 PolarHBondContact OD1-N 2.84Å; D41-T43 PolarHBondContact OD1-OG1 2.93Å; D41-T43 PolarHBondContact OD2-OG1 2.77Å; T43-A45 PolarHBondContact O-N 3.16Å; T43-A45 VanDerWaalsContact O-N 3.13Å; T43-Y297 HydrophobicContact CG2-CD2 3.95Å; T43-Y297 HydrophobicContact CG2-CE2 3.55Å; T43-Y307 HydrophobicContact CG2-CD1 3.57Å; T43-Y307 HydrophobicContact CG2-CD2 3.55Å; T43-Y307 HydrophobicContact CG2-CE1 3.88Å; T43-Y307 HydrophobicContact CG2-CE2 3.87Å; T43-Y307 HydrophobicContact CG2-CG 3.39Å
44	A	96.2	Very high	96	Very high	19 Å²	19	38.4 Å²	38.4	16%	0.157	24%	0.235	C	C	.	.			trans	-58.6	119.7	-176.4	0	0	0	0	0	111.2	D41 G46 L47 Q48 T330	D41-A44 WeakPolarHBondContact O-CB 3.4Å; D41-A44 PolarHBondContact O-N 3.15Å; A44-G46 PolarHBondContact O-N 3.04Å; A44-L47 HydrophobicContact CB-CB 4.07Å; A44-L47 HydrophobicContact CB-CD1 4.04Å; A44-L47 HydrophobicContact CB-CG 4.18Å; A44-L47 CarbonylContact O-C 3.57Å; A44-L47 WeakPolarHBondContact O-CA 3.23Å; A44-L47 PolarHBondContact O-N 3.03Å; A44-Q48 PolarHBondContact O-NE2 2.9Å; A44-T330 HydrophobicContact CB-CG2 3.63Å
45	A	93.2	Very high	95.9	Very high	75 Å²	75	37.5 Å²	37.5	62%	0.62	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-58.4	-41	-168.8	0	0	0	0	0	114	T43 L47 Q48 F340	T43-A45 PolarHBondContact O-N 3.16Å; T43-A45 VanDerWaalsContact O-N 3.13Å; A45-L47 PolarHBondContact O-N 2.65Å; A45-Q48 WeakPolarHBondContact O-CG 3.34Å; A45-F340 HydrophobicContact CB-CE1 4.27Å
46	G	93.6	Very high	95.9	Very high	5 Å²	5	37.1 Å²	37.1	5%	0.052	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-74.6	-6.7	176.6	0	0	0	0	0	113.9	A44 A338 Y339 F340	A44-G46 PolarHBondContact O-N 3.04Å; G46-A338 CarbonylContact O-C 3.57Å; G46-A338 VanDerWaalsContact O-CA 3.25Å; G46-A338 WeakPolarHBondContact O-CA 3.36Å; G46-Y339 PolarHBondContact O-N 3Å; G46-F340 VanDerWaalsContact CA-CZ 3.48Å
47	L	97.2	Very high	96	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-111	23.7	-176.4	-60.5	-179.1	0	0	0	113.4	I40 A44 A45 K56 I57 T330 A333 A338 I373	I40-L47 HydrophobicContact CG2-CD1 3.67Å; A44-L47 HydrophobicContact CB-CB 4.07Å; A44-L47 HydrophobicContact CB-CD1 4.04Å; A44-L47 HydrophobicContact CB-CG 4.18Å; A44-L47 CarbonylContact O-C 3.57Å; A44-L47 WeakPolarHBondContact O-CA 3.23Å; A44-L47 PolarHBondContact O-N 3.03Å; A45-L47 PolarHBondContact O-N 2.65Å; L47-K56 HydrophobicContact CB-CG 4.29Å; L47-K56 HydrophobicContact CD2-CG 4.18Å; L47-K56 WeakPolarHBondContact O-CB 3.4Å; L47-I57 HydrophobicContact CB-CD1 4.22Å; L47-I57 HydrophobicContact CB-CG1 4.32Å; L47-T330 HydrophobicContact CD1-CG2 4.08Å; L47-A333 HydrophobicContact CD1-CB 3.7Å; L47-A333 HydrophobicContact CD2-CB 4.33Å; L47-A338 HydrophobicContact CD2-CB 4.45Å; L47-I373 HydrophobicContact CD2-CD1 3.75Å
48	Q	96.8	Very high	96	Very high	67 Å²	67	32.3 Å²	32.3	31%	0.313	20%	0.199	S	C	.	.	S	Bend	trans	-89	-56.5	-178.4	-61	-55.2	-54.8	0	0	112.4	P42 A44 A45 K56	P42-Q48 PolarHBondContact O-NE2 2.92Å; A44-Q48 PolarHBondContact O-NE2 2.9Å; A45-Q48 WeakPolarHBondContact O-CG 3.34Å; Q48-K56 VanDerWaalsContact C-CB 3.47Å; Q48-K56 WeakPolarHBondContact O-CB 3.44Å; Q48-K56 PolarHBondContact O-N 2.82Å
49	I	96.3	Very high	96	Very high	68 Å²	68	32.8 Å²	32.8	35%	0.349	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-131.1	158.3	-174.7	60.6	170.4	0	0	0	112.4	N54 K56 Y339 P341	I49-N54 CarbonylContact C-O 3.45Å; I49-N54 WeakPolarHBondContact CA-O 3.41Å; I49-K56 WeakPolarHBondContact O-CE 3Å; I49-Y339 HydrophobicContact CG1-CD1 4.36Å; I49-P341 HydrophobicContact CD1-CG 4.47Å
50	T	95.4	Very high	96.1	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	20%	0.201	C	C	.	.			trans	-87.2	163.4	166.7	60.1	0	0	0	0	109.9	D52 G53 N54 K56 Q372	T50-D52 PolarHBondContact O-N 3.22Å; T50-D52 VanDerWaalsContact O-N 3.15Å; T50-G53 PolarHBondContact O-N 3.39Å; T50-N54 PolarHBondContact N-O 3.02Å; T50-N54 WeakPolarHBondContact OG1-CB 3.44Å; T50-N54 PolarHBondContact OG1-N 2.47Å; T50-N54 VanDerWaalsContact OG1-N 3.1Å; T50-N54 PolarHBondContact OG1-O 3.26Å; T50-K56 HydrophobicContact CG2-CD 4.39Å; T50-Q372 HydrophobicContact CG2-CG 3.94Å
51	P	92.2	Very high	96	Very high	45 Å²	45	33.3 Å²	33.3	29%	0.292	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-32.1	171.5	-29	32.6	0	0	0	114.4	G53 Y339 P369	P51-G53 PolarHBondContact O-N 3.4Å; P51-Y339 HydrophobicContact CB-CE1 4.31Å; P51-Y339 HydrophobicContact CB-CE2 4.26Å; P51-Y339 HydrophobicContact CG-CD1 4.19Å; P51-Y339 HydrophobicContact CG-CD2 3.76Å; P51-Y339 HydrophobicContact CG-CE1 4.21Å; P51-Y339 HydrophobicContact CG-CE2 3.79Å; P51-Y339 HydrophobicContact CG-CG 3.96Å; P51-P369 WeakPolarHBondContact CD-O 3.34Å; P51-P369 HydrophobicContact CG-CB 4.33Å
52	D	91.4	Very high	96.1	Very high	103 Å²	103	31.6 Å²	31.6	55%	0.551	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	7.4	178.9	-57.2	-41.8	0	0	0	113	T50 N54	T50-D52 PolarHBondContact O-N 3.22Å; T50-D52 VanDerWaalsContact O-N 3.15Å; D52-N54 VanDerWaalsContact C-N 3.27Å; D52-N54 PolarHBondContact O-N 2.71Å
53	G	93	Very high	96.1	Very high	51 Å²	51	31.5 Å²	31.5	53%	0.526	19%	0.194	S	C	.	.	S	Bend	trans	81.3	-3.9	178.7	0	0	0	0	0	115	T50 P51	T50-G53 PolarHBondContact O-N 3.39Å; P51-G53 PolarHBondContact O-N 3.4Å
54	N	95.3	Very high	96.1	Very high	90 Å²	90	29.9 Å²	29.9	48%	0.481	18%	0.184	S	C	.	.			trans	-71.7	150.2	176	-61.2	-56.9	0	0	0	111.3	I49 T50 D52 K56	I49-N54 CarbonylContact C-O 3.45Å; I49-N54 WeakPolarHBondContact CA-O 3.41Å; T50-N54 PolarHBondContact N-O 3.02Å; T50-N54 WeakPolarHBondContact OG1-CB 3.44Å; T50-N54 PolarHBondContact OG1-N 2.47Å; T50-N54 VanDerWaalsContact OG1-N 3.1Å; T50-N54 PolarHBondContact OG1-O 3.26Å; D52-N54 VanDerWaalsContact C-N 3.27Å; D52-N54 PolarHBondContact O-N 2.71Å; N54-K56 PolarHBondContact O-N 3.29Å
55	R	96.4	Very high	96.1	Very high	39 Å²	39	29.3 Å²	29.3	15%	0.147	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-56.5	129.8	172.8	150.6	61.1	-176.2	-5.1	-20.9	110.8	I57 V58 Y291 H295 Q372	R55-I57 CarbonylContact C-O 3.48Å; R55-I57 VanDerWaalsContact C-O 3.3Å; R55-I57 WeakPolarHBondContact CD-O 3.33Å; R55-I57 WeakPolarHBondContact CG-O 3.32Å; R55-I57 PolarHBondContact NE-O 3.49Å; R55-I57 PolarHBondContact NH1-O 3.23Å; R55-I57 VanDerWaalsContact NH1-O 3.11Å; R55-I57 PolarHBondContact NH2-O 3.01Å; R55-I57 VanDerWaalsContact NH2-O 3.11Å; R55-V58 VanDerWaalsContact CZ-CA 3.46Å; R55-V58 PolarHBondContact NH1-O 3.49Å; R55-Y291 PolarHBondContact NE-OH 3.39Å; R55-Y291 PolarHBondContact NH2-OH 3.46Å; R55-H295 HydrophobicContact CG-CB 4.44Å; R55-H295 PolarHBondContact NH1-CD2 3.32Å; R55-H295 PolarHBondContact NH1-NE2 3.45Å; R55-Q372 PolarHBondContact O-NE2 2.91Å
56	K	97.6	Very high	96.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-74.9	-64.8	-169.8	171.1	58.6	60.5	168.9	0	113.7	L47 Q48 I49 T50 N54 S337 P369 A371 Q372 I373	L47-K56 HydrophobicContact CB-CG 4.29Å; L47-K56 HydrophobicContact CD2-CG 4.18Å; L47-K56 WeakPolarHBondContact O-CB 3.4Å; Q48-K56 VanDerWaalsContact C-CB 3.47Å; Q48-K56 WeakPolarHBondContact O-CB 3.44Å; Q48-K56 PolarHBondContact O-N 2.82Å; I49-K56 WeakPolarHBondContact O-CE 3Å; T50-K56 HydrophobicContact CG2-CD 4.39Å; N54-K56 PolarHBondContact O-N 3.29Å; K56-S337 WeakPolarHBondContact CE-O 3.37Å; K56-S337 PolarHBondContact NZ-O 2.98Å; K56-P369 PolarHBondContact NZ-O 3.4Å; K56-A371 VanDerWaalsContact CD-O 3.22Å; K56-A371 WeakPolarHBondContact CD-O 3.42Å; K56-A371 WeakPolarHBondContact CE-O 3.31Å; K56-A371 PolarHBondContact NZ-O 3.25Å; K56-Q372 CarbonylContact O-C 3.3Å; K56-Q372 WeakPolarHBondContact O-CA 3.48Å; K56-Q372 WeakPolarHBondContact O-CB 3.49Å; K56-I373 HydrophobicContact CD-CD1 4.21Å; K56-I373 HydrophobicContact CG-CD1 4.31Å; K56-I373 PolarHBondContact O-N 3.23Å
57	I	98.3	Very high	96.5	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	154.5	162.3	-49.7	170.2	0	0	0	104.2	I40 L47 R55 D59 M60 Y291 I373	I40-I57 HydrophobicContact CB-CD1 4.41Å; I40-I57 HydrophobicContact CG2-CD1 3.53Å; I40-I57 HydrophobicContact CG2-CG1 4.49Å; L47-I57 HydrophobicContact CB-CD1 4.22Å; L47-I57 HydrophobicContact CB-CG1 4.32Å; R55-I57 CarbonylContact C-O 3.48Å; R55-I57 VanDerWaalsContact C-O 3.3Å; R55-I57 WeakPolarHBondContact CD-O 3.33Å; R55-I57 WeakPolarHBondContact CG-O 3.32Å; R55-I57 PolarHBondContact NE-O 3.49Å; R55-I57 PolarHBondContact NH1-O 3.23Å; R55-I57 VanDerWaalsContact NH1-O 3.11Å; R55-I57 PolarHBondContact NH2-O 3.01Å; R55-I57 VanDerWaalsContact NH2-O 3.11Å; I57-D59 WeakPolarHBondContact CG2-O 3.35Å; I57-M60 HydrophobicContact CD1-SD 4.48Å; I57-M60 HydrophobicContact CG2-CG 3.72Å; I57-M60 HydrophobicContact CG2-SD 4.23Å; I57-Y291 HydrophobicContact CG2-CE1 4.42Å; I57-I373 CarbonylContact C-O 3.59Å; I57-I373 VanDerWaalsContact C-O 3.25Å; I57-I373 VanDerWaalsContact CA-O 3.22Å; I57-I373 WeakPolarHBondContact CA-O 3.48Å; I57-I373 HydrophobicContact CG1-CB 4.46Å; I57-I373 WeakPolarHBondContact CG2-O 3.4Å
58	V	97.5	Very high	96.5	Very high	22 Å²	22	27.1 Å²	27.1	13%	0.133	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-26.1	169.2	-72.9	0	0	0	0	110	R55 Q372 I373 V374	R55-V58 VanDerWaalsContact CZ-CA 3.46Å; R55-V58 PolarHBondContact NH1-O 3.49Å; V58-Q372 HydrophobicContact CG1-CB 3.89Å; V58-Q372 HydrophobicContact CG1-CG 4.02Å; V58-I373 WeakPolarHBondContact CG2-O 3.5Å; V58-I373 PolarHBondContact N-O 3.21Å; V58-V374 HydrophobicContact CG2-CG2 3.66Å
59	D	98.1	Very high	96.6	Very high	18 Å²	18	24.1 Å²	24.1	10%	0.096	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	156.4	-178.2	-160.7	3.3	0	0	0	111.9	I57 T292 K311 V374 S375 Y398	I57-D59 WeakPolarHBondContact CG2-O 3.35Å; D59-T292 HydrophobicContact CB-CG2 4.28Å; D59-T292 VanDerWaalsContact CG-CG2 3.49Å; D59-T292 WeakPolarHBondContact OD1-CG2 3.36Å; D59-K311 VanDerWaalsContact CG-NZ 3.33Å; D59-K311 WeakPolarHBondContact OD1-CE 3.18Å; D59-K311 IonicContact OD1-NZ 3.9Å; D59-K311 PolarHBondContact OD1-NZ 3.39Å; D59-K311 IonicContact OD2-NZ 2.66Å; D59-K311 PolarHBondContact OD2-NZ 2.79Å; D59-V374 HydrophobicContact CB-CG1 4.18Å; D59-V374 HydrophobicContact CB-CG2 4.4Å; D59-S375 PolarHBondContact O-N 2.85Å; D59-Y398 PolarHBondContact OD2-OH 3.44Å
60	M	98.4	Very high	96.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	116.3	-177.1	-72.2	176	76.7	0	0	110.3	I40 P42 I57 Y291 T309 K311 V322 S375	I40-M60 WeakPolarHBondContact O-CE 3.5Å; P42-M60 HydrophobicContact CB-CE 4.24Å; P42-M60 HydrophobicContact CB-SD 4Å; P42-M60 HydrophobicContact CG-CE 4.49Å; I57-M60 HydrophobicContact CD1-SD 4.48Å; I57-M60 HydrophobicContact CG2-CG 3.72Å; I57-M60 HydrophobicContact CG2-SD 4.23Å; M60-Y291 HydrophobicContact CB-CD1 3.68Å; M60-Y291 HydrophobicContact CB-CE1 3.71Å; M60-Y291 HydrophobicContact CB-CG 4.48Å; M60-Y291 HydrophobicContact CG-CD1 3.89Å; M60-Y291 HydrophobicContact CG-CE1 3.35Å; M60-Y291 HydrophobicContact SD-CD1 4.24Å; M60-Y291 HydrophobicContact SD-CE1 3.45Å; M60-Y291 WeakPolarHBondContact SD-CE1 3.43Å; M60-Y291 HydrophobicContact SD-CE2 4.25Å; M60-Y291 PolarHBondContact SD-OH 2.93Å; M60-T309 HydrophobicContact CE-CG2 4.47Å; M60-T309 HydrophobicContact SD-CG2 3.97Å; M60-K311 WeakPolarHBondContact O-CE 3.39Å; M60-V322 HydrophobicContact CB-CG1 4.13Å; M60-S375 WeakPolarHBondContact CA-O 3.44Å
61	I	97.9	Very high	96.9	Very high	11 Å²	11	27.8 Å²	27.8	6%	0.056	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.9	178.6	-173.4	170.5	0	0	0	111.1	K311 F313 S375 I376 K377 Y398	I61-K311 HydrophobicContact CB-CD 4.01Å; I61-K311 HydrophobicContact CD1-CD 4.42Å; I61-K311 HydrophobicContact CG1-CD 4.03Å; I61-F313 HydrophobicContact CD1-CZ 4.21Å; I61-S375 PolarHBondContact N-O 3.03Å; I61-I376 HydrophobicContact CG2-CB 4.11Å; I61-I376 HydrophobicContact CG2-CG1 3.73Å; I61-I376 HydrophobicContact CG2-CG2 4Å; I61-K377 PolarHBondContact O-N 3.09Å; I61-Y398 HydrophobicContact CB-CE1 4.38Å; I61-Y398 HydrophobicContact CD1-CD1 4.23Å; I61-Y398 HydrophobicContact CD1-CD2 3.27Å; I61-Y398 HydrophobicContact CD1-CE1 4.4Å; I61-Y398 HydrophobicContact CD1-CE2 3.48Å; I61-Y398 VanDerWaalsContact CD1-CE2 3.48Å; I61-Y398 HydrophobicContact CD1-CG 3.67Å; I61-Y398 HydrophobicContact CG2-CD1 3.88Å; I61-Y398 HydrophobicContact CG2-CE1 3.99Å; I61-Y398 HydrophobicContact CG2-CG 4.29Å
62	D	98.2	Very high	96.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	96.8	166.8	-171.4	-8.8	0	0	0	110.7	S64 S66 G67 Q320 V322 K377	D62-S64 VanDerWaalsContact C-N 3.28Å; D62-S64 PolarHBondContact O-N 2.98Å; D62-S64 WeakPolarHBondContact OD1-CA 3.38Å; D62-S64 VanDerWaalsContact OD1-CB 3.26Å; D62-S64 WeakPolarHBondContact OD1-CB 3.4Å; D62-S64 PolarHBondContact OD1-N 2.79Å; D62-S64 PolarHBondContact OD1-OG 2.97Å; D62-S64 PolarHBondContact OD2-OG 3.33Å; D62-S66 PolarHBondContact OD2-OG 3.45Å; D62-G67 PolarHBondContact OD2-N 3.32Å; D62-Q320 HydrophobicContact CB-CG 4.06Å; D62-Q320 PolarHBondContact O-NE2 3.46Å; D62-V322 HydrophobicContact CB-CG1 4.34Å; D62-V322 HydrophobicContact CB-CG2 4.11Å; D62-K377 VanDerWaalsContact CG-NZ 3.29Å; D62-K377 IonicContact OD1-NZ 3.2Å; D62-K377 PolarHBondContact OD1-NZ 3.21Å; D62-K377 VanDerWaalsContact OD1-NZ 3.15Å; D62-K377 IonicContact OD2-NZ 2.92Å; D62-K377 PolarHBondContact OD2-NZ 2.85Å
63	A	98.2	Very high	97	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.6	177.2	0	0	0	0	0	112.6	G65 I376 K377 I378 S391 R394 A395	A63-G65 PolarHBondContact O-N 3.2Å; A63-I376 HydrophobicContact CB-CG2 3.81Å; A63-K377 WeakPolarHBondContact CA-O 3.34Å; A63-K377 WeakPolarHBondContact CB-O 3.42Å; A63-K377 PolarHBondContact N-O 3.43Å; A63-I378 HydrophobicContact CB-CG2 4.47Å; A63-S391 WeakPolarHBondContact CB-O 3.16Å; A63-S391 WeakPolarHBondContact O-CA 3.24Å; A63-R394 HydrophobicContact CB-CB 3.96Å; A63-R394 WeakPolarHBondContact O-CB 3.49Å; A63-R394 WeakPolarHBondContact O-CD 3.47Å; A63-R394 PolarHBondContact O-NE 2.75Å; A63-A395 HydrophobicContact CB-CB 3.95Å
64	S	97.3	Very high	97.2	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.042	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.5	177.6	78.4	0	0	0	0	113.4	D62 S66 K377 S379 R382	D62-S64 VanDerWaalsContact C-N 3.28Å; D62-S64 PolarHBondContact O-N 2.98Å; D62-S64 WeakPolarHBondContact OD1-CA 3.38Å; D62-S64 VanDerWaalsContact OD1-CB 3.26Å; D62-S64 WeakPolarHBondContact OD1-CB 3.4Å; D62-S64 PolarHBondContact OD1-N 2.79Å; D62-S64 PolarHBondContact OD1-OG 2.97Å; D62-S64 PolarHBondContact OD2-OG 3.33Å; S64-S66 PolarHBondContact O-N 3.44Å; S64-S66 WeakPolarHBondContact OG-CB 3.32Å; S64-S66 PolarHBondContact OG-N 3.11Å; S64-S66 VanDerWaalsContact OG-N 3.13Å; S64-S66 PolarHBondContact OG-OG 2.86Å; S64-K377 PolarHBondContact N-O 3.29Å; S64-K377 PolarHBondContact OG-NZ 3.11Å; S64-S379 WeakPolarHBondContact CB-O 3.39Å; S64-S379 PolarHBondContact OG-O 3.3Å; S64-R382 PolarHBondContact O-NH2 3.1Å
65	G	96.1	Very high	97.3	Very high	7 Å²	7	35.8 Å²	35.8	7%	0.072	16%	0.158	C	C	.	.	S	Bend	trans	73.7	4.6	-173.1	0	0	0	0	0	114.2	A63 G67 D68 R394	A63-G65 PolarHBondContact O-N 3.2Å; G65-G67 PolarHBondContact O-N 2.96Å; G65-D68 WeakPolarHBondContact CA-OD2 3.42Å; G65-D68 WeakPolarHBondContact O-CB 3.22Å; G65-D68 PolarHBondContact O-N 2.82Å; G65-D68 VanDerWaalsContact O-N 3.12Å; G65-R394 VanDerWaalsContact CA-NH1 3.26Å
66	S	96.7	Very high	97.3	Very high	1 Å²	1	41 Å²	41	1%	0.007	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.7	173.3	81.3	0	0	0	0	111.4	D62 S64 K110 E114 K377 D380 S381	D62-S66 PolarHBondContact OD2-OG 3.45Å; S64-S66 PolarHBondContact O-N 3.44Å; S64-S66 WeakPolarHBondContact OG-CB 3.32Å; S64-S66 PolarHBondContact OG-N 3.11Å; S64-S66 VanDerWaalsContact OG-N 3.13Å; S64-S66 PolarHBondContact OG-OG 2.86Å; S66-K110 WeakPolarHBondContact O-CE 3.25Å; S66-K110 PolarHBondContact O-NZ 2.85Å; S66-E114 WeakPolarHBondContact CB-O 3.17Å; S66-E114 PolarHBondContact OG-O 3.29Å; S66-K377 PolarHBondContact OG-NZ 2.93Å; S66-D380 WeakPolarHBondContact CB-OD1 3.34Å; S66-S381 WeakPolarHBondContact CB-OG 3.37Å; S66-S381 PolarHBondContact OG-OG 3.31Å
67	G	97.9	Very high	97.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.6	169.7	0	0	0	0	0	116.8	D62 G65 Q320 I321	D62-G67 PolarHBondContact OD2-N 3.32Å; G65-G67 PolarHBondContact O-N 2.96Å; G67-Q320 WeakPolarHBondContact O-CA 3.1Å; G67-I321 WeakPolarHBondContact CA-O 3.17Å; G67-I321 PolarHBondContact O-N 3.03Å
68	D	98.5	Very high	96.8	Very high	36 Å²	36	45.1 Å²	45.1	19%	0.193	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.2	-171.8	-68.1	-9.1	0	0	0	111.9	G65 K110 L318 Q320 R394	G65-D68 WeakPolarHBondContact CA-OD2 3.42Å; G65-D68 WeakPolarHBondContact O-CB 3.22Å; G65-D68 PolarHBondContact O-N 2.82Å; G65-D68 VanDerWaalsContact O-N 3.12Å; D68-K110 PolarHBondContact O-NZ 2.91Å; D68-L318 HydrophobicContact CB-CD1 4.03Å; D68-Q320 WeakPolarHBondContact OD1-CG 3.44Å; D68-Q320 PolarHBondContact OD1-NE2 3.23Å; D68-R394 IonicContact OD1-NH2 3.8Å; D68-R394 PolarHBondContact OD1-NH2 3.5Å; D68-R394 IonicContact OD2-CZ 2.86Å; D68-R394 VanDerWaalsContact OD2-CZ 3.31Å; D68-R394 IonicContact OD2-NH1 2.66Å; D68-R394 PolarHBondContact OD2-NH1 3.49Å; D68-R394 IonicContact OD2-NH2 3.84Å; D68-R394 PolarHBondContact OD2-NH2 3.42Å
69	V	98.7	Very high	96.3	Very high	3 Å²	3	53 Å²	53	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	113.4	178.2	-170.5	0	0	0	0	109.1	M71 K110 C258 L319 I321	V69-M71 HydrophobicContact CB-SD 4.26Å; V69-M71 HydrophobicContact CG1-SD 3.71Å; V69-M71 PolarHBondContact O-N 3.49Å; V69-K110 HydrophobicContact CG2-CB 3.83Å; V69-K110 HydrophobicContact CG2-CD 3.94Å; V69-K110 HydrophobicContact CG2-CG 3.91Å; V69-C258 HydrophobicContact CG1-CB 4.31Å; V69-L319 HydrophobicContact CB-CB 4.15Å; V69-L319 HydrophobicContact CB-CD2 4.46Å; V69-L319 HydrophobicContact CB-CG 4.49Å; V69-L319 PolarHBondContact N-O 3.29Å; V69-L319 PolarHBondContact O-N 2.73Å; V69-I321 HydrophobicContact CG2-CD1 3.96Å; V69-I321 HydrophobicContact CG2-CG1 4.33Å
70	K	98.3	Very high	95.9	Very high	147 Å²	147	61.1 Å²	61.1	64%	0.639	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	110.4	178.2	-64	-179.6	-178.2	174.1	0	109.7	K72	K70-K72 VanDerWaalsContact C-N 3.26Å; K70-K72 HydrophobicContact CB-CG 4.1Å; K70-K72 PolarHBondContact O-N 3.46Å
71	M	98.2	Very high	95.5	Very high	1 Å²	1	67 Å²	67	1%	0.005	30%	0.301	C	S	.	.			trans	-86	63.4	-176.4	-55.5	-55.7	-71.7	0	0	111.1	V69 R106 C258 V260 G316 K317 L319	V69-M71 HydrophobicContact CB-SD 4.26Å; V69-M71 HydrophobicContact CG1-SD 3.71Å; V69-M71 PolarHBondContact O-N 3.49Å; M71-R106 HydrophobicContact CB-CB 3.91Å; M71-R106 HydrophobicContact CE-CB 4.33Å; M71-R106 WeakPolarHBondContact CE-O 3.38Å; M71-R106 PolarHBondContact O-NH1 2.81Å; M71-C258 HydrophobicContact CE-CB 4.2Å; M71-C258 WeakPolarHBondContact CE-O 3.31Å; M71-C258 HydrophobicContact SD-CB 4.3Å; M71-V260 HydrophobicContact CE-CB 3.76Å; M71-V260 HydrophobicContact CE-CG2 3.55Å; M71-V260 HydrophobicContact CG-CB 4.31Å; M71-V260 HydrophobicContact CG-CG2 4.01Å; M71-V260 HydrophobicContact SD-CG2 4.22Å; M71-G316 WeakPolarHBondContact CB-O 3.35Å; M71-K317 WeakPolarHBondContact CB-O 3.38Å; M71-K317 PolarHBondContact N-O 3.42Å; M71-L319 HydrophobicContact CG-CB 3.81Å; M71-L319 HydrophobicContact SD-CB 3.88Å; M71-L319 HydrophobicContact SD-CD2 4.3Å
72	K	90.2	Very high	95.4	Very high	151 Å²	151	67.6 Å²	67.6	66%	0.657	30%	0.302	S	S	*	.			trans	-80.3	-37.6	-170.7	-69.7	-174.4	177.1	-176	0	113.9	K70	K70-K72 VanDerWaalsContact C-N 3.26Å; K70-K72 HydrophobicContact CB-CG 4.1Å; K70-K72 PolarHBondContact O-N 3.46Å
73	Y	97	Very high	95.3	Very high	129 Å²	129	73.2 Å²	73.2	51%	0.506	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.4	-171.5	-63.7	-85.5	0	0	0	110.1	L87 R106 I107	Y73-L87 HydrophobicContact CD1-CD2 4.16Å; Y73-L87 HydrophobicContact CD2-CD1 3.46Å; Y73-L87 VanDerWaalsContact CD2-CD1 3.46Å; Y73-L87 HydrophobicContact CD2-CD2 3.56Å; Y73-L87 HydrophobicContact CD2-CG 4.12Å; Y73-L87 HydrophobicContact CE1-CD2 4.44Å; Y73-L87 HydrophobicContact CE2-CD1 3.9Å; Y73-L87 HydrophobicContact CE2-CD2 3.86Å; Y73-L87 HydrophobicContact CG-CD1 4.25Å; Y73-L87 HydrophobicContact CG-CD2 3.7Å; Y73-R106 CarbonylContact O-C 3.56Å; Y73-R106 VanDerWaalsContact O-CA 3.22Å; Y73-R106 WeakPolarHBondContact O-CA 3.45Å; Y73-I107 PolarHBondContact N-O 2.66Å; Y73-I107 PolarHBondContact O-N 2.82Å
74	K	97.1	Very high	95.1	Very high	93 Å²	93	73.9 Å²	73.9	40%	0.404	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	145.1	175.4	-66.1	-179.2	176.5	-170.1	0	109.8	I104 I105 R106	K74-I104 HydrophobicContact CB-CG2 4.15Å; K74-I104 HydrophobicContact CD-CG2 3.87Å; K74-I104 HydrophobicContact CG-CG2 3.96Å; K74-I105 CarbonylContact C-O 3.53Å; K74-I105 WeakPolarHBondContact CA-O 3.03Å; K74-R106 HydrophobicContact CG-CG 4.27Å
75	R	96.4	Very high	95.1	Very high	84 Å²	84	78.7 Å²	78.7	32%	0.317	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142	164.2	-66	-64.8	-178.6	-100.1	2.4	108	I84 I105 I107	R75-I84 HydrophobicContact CB-CG2 4.12Å; R75-I84 HydrophobicContact CG-CB 4.39Å; R75-I84 HydrophobicContact CG-CD1 4.37Å; R75-I84 HydrophobicContact CG-CG2 4.34Å; R75-I105 PolarHBondContact N-O 3.1Å; R75-I105 PolarHBondContact O-N 2.89Å; R75-I107 HydrophobicContact CB-CD1 4.25Å; R75-I107 HydrophobicContact CG-CD1 3.4Å; R75-I107 VanDerWaalsContact CG-CD1 3.4Å; R75-I107 HydrophobicContact CG-CG1 4.37Å
76	F	96	Very high	95.1	Very high	148 Å²	148	78.6 Å²	78.6	65%	0.649	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.4	171.9	-68.4	-89.7	0	0	0	108.3	G103 I104	F76-G103 CarbonylContact C-O 3.5Å; F76-G103 VanDerWaalsContact CA-O 3.3Å; F76-G103 WeakPolarHBondContact CA-O 3.3Å; F76-I104 HydrophobicContact CD1-CG1 3.83Å; F76-I104 HydrophobicContact CE1-CD1 3.78Å; F76-I104 HydrophobicContact CE1-CG1 3.44Å; F76-I104 VanDerWaalsContact CE1-CG1 3.44Å; F76-I104 HydrophobicContact CZ-CD1 4.17Å; F76-I104 HydrophobicContact CZ-CG1 4.13Å
77	I	94.6	Very high	95	Very high	11 Å²	11	81.4 Å²	81.4	6%	0.056	37%	0.369	C	S	.	.			trans	-126.7	144.9	175.9	50.1	149.1	0	0	0	109.1	H81 I84 I94 P100 G103 I105	I77-H81 WeakPolarHBondContact CA-O 3.32Å; I77-I84 HydrophobicContact CG2-CG2 4.02Å; I77-I94 HydrophobicContact CD1-CG2 4.19Å; I77-I94 HydrophobicContact CG2-CG1 4.08Å; I77-P100 HydrophobicContact CD1-CG 3.74Å; I77-P100 HydrophobicContact CG1-CG 4.18Å; I77-G103 WeakPolarHBondContact CG1-O 3.46Å; I77-G103 PolarHBondContact N-O 2.9Å; I77-I105 HydrophobicContact CD1-CD1 3.39Å; I77-I105 HydrophobicContact CD1-CG1 3.92Å; I77-I105 HydrophobicContact CG1-CD1 3.92Å; I77-I105 HydrophobicContact CG1-CG1 4.1Å; I77-I105 HydrophobicContact CG2-CD1 4.38Å
78	D	91.6	Very high	94.8	Very high	77 Å²	77	84 Å²	84	41%	0.412	39%	0.385	S	S	.	.			trans	-135.2	-177.1	170	68.5	38.3	0	0	0	109.3	K80 H81 R82	D78-K80 PolarHBondContact O-N 2.85Å; D78-K80 WeakPolarHBondContact OD1-CA 3.38Å; D78-K80 WeakPolarHBondContact OD1-CB 3.25Å; D78-K80 PolarHBondContact OD1-N 3.48Å; D78-H81 PolarHBondContact N-O 3.43Å; D78-H81 IonicContact OD1-CG 3.26Å; D78-H81 PolarHBondContact OD1-N 2.84Å; D78-H81 IonicContact OD1-ND1 3.4Å; D78-H81 PolarHBondContact OD1-ND1 3.25Å; D78-H81 VanDerWaalsContact OD1-ND1 3.15Å; D78-H81 IonicContact OD2-CE1 3.25Å; D78-H81 IonicContact OD2-CG 2.91Å; D78-H81 IonicContact OD2-ND1 3.61Å; D78-H81 PolarHBondContact OD2-ND1 3.2Å; D78-R82 WeakPolarHBondContact O-CD 3.19Å
79	Q	87.8	Confident	94.6	Very high	187 Å²	187	84.3 Å²	84.3	87%	0.874	40%	0.397	S	S	*	.	S	Bend	trans	-62.3	-24.6	-179	-68.7	-177.4	-11.6	0	0	113.9
80	K	88.4	Confident	94.4	Very high	189 Å²	189	87.3 Å²	87.3	82%	0.822	41%	0.408	S	S	*	.	S	Bend	trans	-98.1	-34.2	-177.8	-62.5	-178.7	179.8	179.5	0	112.3	D78	D78-K80 PolarHBondContact O-N 2.85Å; D78-K80 WeakPolarHBondContact OD1-CA 3.38Å; D78-K80 WeakPolarHBondContact OD1-CB 3.25Å; D78-K80 PolarHBondContact OD1-N 3.48Å
81	H	90.7	Very high	94.3	Very high	124 Å²	124	88.3 Å²	88.3	57%	0.574	41%	0.412	S	S	*	.			trans	-109.5	83.5	-175.6	-54.1	101.4	0	0	0	110	I77 D78	I77-H81 WeakPolarHBondContact CA-O 3.32Å; D78-H81 PolarHBondContact N-O 3.43Å; D78-H81 IonicContact OD1-CG 3.26Å; D78-H81 PolarHBondContact OD1-N 2.84Å; D78-H81 IonicContact OD1-ND1 3.4Å; D78-H81 PolarHBondContact OD1-ND1 3.25Å; D78-H81 VanDerWaalsContact OD1-ND1 3.15Å; D78-H81 IonicContact OD2-CE1 3.25Å; D78-H81 IonicContact OD2-CG 2.91Å; D78-H81 IonicContact OD2-ND1 3.61Å; D78-H81 PolarHBondContact OD2-ND1 3.2Å
82	R	95	Very high	94.2	Very high	23 Å²	23	89 Å²	89	9%	0.087	42%	0.416	C	S	.	.			trans	-104.7	-11.6	180	-60.9	-65.5	-65.1	-167.2	0.6	114	D78 E93 I94 P95 W98	D78-R82 WeakPolarHBondContact O-CD 3.19Å; R82-E93 HydrophobicContact CB-CG 4.21Å; R82-I94 PolarHBondContact NE-O 2.92Å; R82-I94 PolarHBondContact NH2-O 3.12Å; R82-I94 VanDerWaalsContact NH2-O 3.08Å; R82-I94 PolarHBondContact O-N 3.01Å; R82-P95 PolarHBondContact NH2-O 3.21Å; R82-W98 PolarHBondContact NH1-O 3.22Å; R82-W98 PolarHBondContact NH2-O 2.9Å
83	I	96.4	Very high	94.5	Very high	120 Å²	120	88.4 Å²	88.4	62%	0.615	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.6	-179.1	-59	174.4	0	0	0	109.3	V92 E93	I83-V92 WeakPolarHBondContact CA-O 3.31Å; I83-E93 HydrophobicContact CG1-CB 4.33Å; I83-E93 HydrophobicContact CG1-CG 4.38Å
84	I	95.3	Very high	94.5	Very high	14 Å²	14	82.3 Å²	82.3	7%	0.072	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157	178.6	62.9	161.4	0	0	0	111.1	R75 I77 K91 V92 I94 I107 F259	R75-I84 HydrophobicContact CB-CG2 4.12Å; R75-I84 HydrophobicContact CG-CB 4.39Å; R75-I84 HydrophobicContact CG-CD1 4.37Å; R75-I84 HydrophobicContact CG-CG2 4.34Å; I77-I84 HydrophobicContact CG2-CG2 4.02Å; I84-K91 WeakPolarHBondContact O-CA 2.98Å; I84-V92 HydrophobicContact CD1-CG2 4.2Å; I84-V92 HydrophobicContact CG1-CG2 3.69Å; I84-V92 PolarHBondContact N-O 2.9Å; I84-V92 PolarHBondContact O-N 3.3Å; I84-I94 HydrophobicContact CD1-CD1 3.48Å; I84-I94 VanDerWaalsContact CD1-CD1 3.48Å; I84-I94 HydrophobicContact CD1-CG1 3.94Å; I84-I94 HydrophobicContact CG1-CD1 3.77Å; I84-I94 HydrophobicContact CG1-CG1 3.95Å; I84-I94 HydrophobicContact CG2-CG1 4.44Å; I84-I107 HydrophobicContact CD1-CD1 3.59Å; I84-F259 HydrophobicContact CD1-CE1 3.84Å
85	E	96	Very high	94.5	Very high	108 Å²	108	78.3 Å²	78.3	51%	0.505	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.8	167.7	-169.9	175.9	177.5	0	0	110	R90	E85-R90 CarbonylContact C-O 3.55Å; E85-R90 WeakPolarHBondContact CA-O 3.33Å
86	T	95.9	Very high	94.4	Very high	5 Å²	5	79.1 Å²	79.1	3%	0.031	39%	0.394	C	S	.	.			trans	-78.8	173	177.6	75.4	0	0	0	0	111.4	T88 G89 R90 V92 D257 F259	T86-T88 PolarHBondContact O-N 3.25Å; T86-T88 PolarHBondContact OG1-N 2.81Å; T86-T88 PolarHBondContact OG1-OG1 3.37Å; T86-G89 PolarHBondContact O-N 3.49Å; T86-G89 VanDerWaalsContact O-N 3.07Å; T86-R90 PolarHBondContact N-O 3.38Å; T86-R90 PolarHBondContact OG1-N 2.77Å; T86-R90 PolarHBondContact OG1-O 2.94Å; T86-V92 HydrophobicContact CG2-CB 4.36Å; T86-V92 HydrophobicContact CG2-CG1 3.91Å; T86-V92 HydrophobicContact CG2-CG2 3.49Å; T86-V92 VanDerWaalsContact CG2-CG2 3.49Å; T86-D257 VanDerWaalsContact CB-OD1 3.25Å; T86-D257 WeakPolarHBondContact CB-OD1 3.15Å; T86-D257 WeakPolarHBondContact CB-OD2 3.22Å; T86-D257 HydrophobicContact CG2-CB 4.39Å; T86-D257 VanDerWaalsContact OG1-CG 3.31Å; T86-D257 PolarHBondContact OG1-OD1 2.81Å; T86-D257 PolarHBondContact OG1-OD2 2.94Å; T86-F259 HydrophobicContact CG2-CE1 4.4Å; T86-F259 HydrophobicContact CG2-CZ 3.91Å
87	L	95.1	Very high	94.3	Very high	59 Å²	59	76.9 Å²	76.9	31%	0.309	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-17.5	-179.4	-62.1	174.9	0	0	0	112.5	Y73 I107 V109 D257	Y73-L87 HydrophobicContact CD1-CD2 4.16Å; Y73-L87 HydrophobicContact CD2-CD1 3.46Å; Y73-L87 VanDerWaalsContact CD2-CD1 3.46Å; Y73-L87 HydrophobicContact CD2-CD2 3.56Å; Y73-L87 HydrophobicContact CD2-CG 4.12Å; Y73-L87 HydrophobicContact CE1-CD2 4.44Å; Y73-L87 HydrophobicContact CE2-CD1 3.9Å; Y73-L87 HydrophobicContact CE2-CD2 3.86Å; Y73-L87 HydrophobicContact CG-CD1 4.25Å; Y73-L87 HydrophobicContact CG-CD2 3.7Å; L87-I107 HydrophobicContact CD1-CG2 4.11Å; L87-I107 HydrophobicContact CG-CG2 3.93Å; L87-V109 HydrophobicContact CB-CG1 3.54Å; L87-V109 HydrophobicContact CD1-CG1 4.17Å; L87-V109 HydrophobicContact CD1-CG2 4.35Å; L87-V109 HydrophobicContact CG-CG1 4.44Å; L87-D257 PolarHBondContact N-OD1 3.42Å
88	T	94.3	Very high	94.4	Very high	55 Å²	55	76.4 Å²	76.4	34%	0.337	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	2.2	167.8	64.9	0	0	0	0	113.2	T86 R90 V109 I255 D257	T86-T88 PolarHBondContact O-N 3.25Å; T86-T88 PolarHBondContact OG1-N 2.81Å; T86-T88 PolarHBondContact OG1-OG1 3.37Å; T88-R90 VanDerWaalsContact C-N 3.33Å; T88-R90 PolarHBondContact OG1-NE 3.32Å; T88-V109 HydrophobicContact CG2-CG1 3.99Å; T88-I255 HydrophobicContact CG2-CB 4.26Å; T88-I255 HydrophobicContact CG2-CG2 3.72Å; T88-D257 WeakPolarHBondContact CG2-OD1 3.49Å; T88-D257 PolarHBondContact N-OD1 3.35Å; T88-D257 PolarHBondContact OG1-OD2 3.37Å
89	G	94.1	Very high	94.5	Very high	43 Å²	43	77.1 Å²	77.1	44%	0.443	39%	0.387	S	S	.	.	S	Bend	trans	81	7.9	179.6	0	0	0	0	0	114.4	T86	T86-G89 PolarHBondContact O-N 3.49Å; T86-G89 VanDerWaalsContact O-N 3.07Å
90	R	94.5	Very high	94.9	Very high	65 Å²	65	68.8 Å²	68.8	25%	0.245	35%	0.349	C	S	.	.			trans	-79.4	140.8	176.5	-65.2	-172.6	-61.5	127.4	0.3	110.5	E85 T86 T88 V92 D257 D272	E85-R90 CarbonylContact C-O 3.55Å; E85-R90 WeakPolarHBondContact CA-O 3.33Å; T86-R90 PolarHBondContact N-O 3.38Å; T86-R90 PolarHBondContact OG1-N 2.77Å; T86-R90 PolarHBondContact OG1-O 2.94Å; T88-R90 VanDerWaalsContact C-N 3.33Å; T88-R90 PolarHBondContact OG1-NE 3.32Å; R90-V92 HydrophobicContact CB-CG1 4.23Å; R90-D257 IonicContact CZ-OD2 3.1Å; R90-D257 IonicContact NE-OD2 3.65Å; R90-D257 PolarHBondContact NE-OD2 3.28Å; R90-D257 IonicContact NH2-OD2 2.82Å; R90-D257 PolarHBondContact NH2-OD2 3.16Å; R90-D272 IonicContact CZ-OD2 3.27Å; R90-D272 VanDerWaalsContact CZ-OD2 3.25Å; R90-D272 IonicContact NH1-OD2 3.37Å; R90-D272 PolarHBondContact NH1-OD2 3.27Å; R90-D272 IonicContact NH2-OD2 3.63Å; R90-D272 PolarHBondContact NH2-OD2 3.17Å
91	K	96.1	Very high	95.3	Very high	169 Å²	169	64.5 Å²	64.5	74%	0.735	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.3	166.5	-67	-176.2	-179.6	-179.3	0	108.9	I84	I84-K91 WeakPolarHBondContact O-CA 2.98Å
92	V	96	Very high	95.5	Very high	15 Å²	15	62.7 Å²	62.7	9%	0.091	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.3	-179	-59.3	0	0	0	0	110.4	I83 I84 T86 R90 I94 F259 L282	I83-V92 WeakPolarHBondContact CA-O 3.31Å; I84-V92 HydrophobicContact CD1-CG2 4.2Å; I84-V92 HydrophobicContact CG1-CG2 3.69Å; I84-V92 PolarHBondContact N-O 2.9Å; I84-V92 PolarHBondContact O-N 3.3Å; T86-V92 HydrophobicContact CG2-CB 4.36Å; T86-V92 HydrophobicContact CG2-CG1 3.91Å; T86-V92 HydrophobicContact CG2-CG2 3.49Å; T86-V92 VanDerWaalsContact CG2-CG2 3.49Å; R90-V92 HydrophobicContact CB-CG1 4.23Å; V92-I94 HydrophobicContact CG2-CD1 4.24Å; V92-F259 HydrophobicContact CG2-CZ 4.18Å; V92-L282 HydrophobicContact CB-CD2 4.25Å; V92-L282 HydrophobicContact CG2-CD2 4.23Å
93	E	96.1	Very high	95.6	Very high	138 Å²	138	62.2 Å²	62.2	65%	0.645	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.6	171.7	-174.9	178.6	-176.2	0	0	109.2	R82 I83	R82-E93 HydrophobicContact CB-CG 4.21Å; I83-E93 HydrophobicContact CG1-CB 4.33Å; I83-E93 HydrophobicContact CG1-CG 4.38Å
94	I	97.3	Very high	95.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-70.3	125	178.1	-58.9	-51.7	0	0	0	109.4	I77 R82 I84 V92 S96 W98 I105 F259 L282	I77-I94 HydrophobicContact CD1-CG2 4.19Å; I77-I94 HydrophobicContact CG2-CG1 4.08Å; R82-I94 PolarHBondContact NE-O 2.92Å; R82-I94 PolarHBondContact NH2-O 3.12Å; R82-I94 VanDerWaalsContact NH2-O 3.08Å; R82-I94 PolarHBondContact O-N 3.01Å; I84-I94 HydrophobicContact CD1-CD1 3.48Å; I84-I94 VanDerWaalsContact CD1-CD1 3.48Å; I84-I94 HydrophobicContact CD1-CG1 3.94Å; I84-I94 HydrophobicContact CG1-CD1 3.77Å; I84-I94 HydrophobicContact CG1-CG1 3.95Å; I84-I94 HydrophobicContact CG2-CG1 4.44Å; V92-I94 HydrophobicContact CG2-CD1 4.24Å; I94-S96 PolarHBondContact O-N 3.15Å; I94-W98 HydrophobicContact CG2-CB 3.91Å; I94-W98 HydrophobicContact CG2-CD2 4.13Å; I94-W98 HydrophobicContact CG2-CE3 3.64Å; I94-W98 HydrophobicContact CG2-CG 4.29Å; I94-W98 HydrophobicContact CG2-CZ3 4.43Å; I94-I105 HydrophobicContact CB-CD1 4.41Å; I94-I105 HydrophobicContact CD1-CD1 4.39Å; I94-I105 HydrophobicContact CG1-CD1 4.08Å; I94-I105 HydrophobicContact CG2-CD1 3.48Å; I94-I105 VanDerWaalsContact CG2-CD1 3.48Å; I94-F259 HydrophobicContact CD1-CE1 4.28Å; I94-L282 HydrophobicContact CD1-CD2 4.14Å
95	P	96.8	Very high	95.7	Very high	9 Å²	9	57.2 Å²	57.2	6%	0.058	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-58.8	131.6	-173.3	-24.8	34.1	0	0	0	113.2	R82 H97 W98 L282 S283	R82-P95 PolarHBondContact NH2-O 3.21Å; P95-H97 WeakPolarHBondContact CB-CE1 3.2Å; P95-H97 PolarHBondContact O-N 2.85Å; P95-W98 HydrophobicContact CB-CG 4.44Å; P95-W98 HydrophobicContact CG-CD2 4.32Å; P95-W98 HydrophobicContact CG-CZ2 4.28Å; P95-W98 WeakPolarHBondContact O-CB 3.32Å; P95-W98 PolarHBondContact O-N 2.76Å; P95-L282 HydrophobicContact CG-CB 4.41Å; P95-L282 HydrophobicContact CG-CG 4.01Å; P95-S283 VanDerWaalsContact CG-CA 3.4Å
96	S	93.6	Very high	95.8	Very high	101 Å²	101	53.3 Å²	53.3	71%	0.706	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-17.5	-172.6	58.3	0	0	0	0	116.5	I94 N99	I94-S96 PolarHBondContact O-N 3.15Å; S96-N99 PolarHBondContact O-ND2 3.07Å; S96-N99 PolarHBondContact O-OD1 2.84Å
97	H	94.1	Very high	96	Very high	102 Å²	102	53.1 Å²	53.1	47%	0.472	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.6	174.9	63.9	-85.3	0	0	0	113.7	P95 N99 S283	P95-H97 WeakPolarHBondContact CB-CE1 3.2Å; P95-H97 PolarHBondContact O-N 2.85Å; H97-N99 PolarHBondContact O-N 2.86Å; H97-N99 PolarHBondContact O-ND2 2.84Å; H97-S283 PolarHBondContact CE1-O 3.37Å
98	W	96.4	Very high	96.1	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	28%	0.277	C	S	.	.			trans	-83.4	95.1	172.7	-63.5	16.3	0	0	0	109	R82 I94 P95 P100 I105 F259 F261 C270 L282 L287	R82-W98 PolarHBondContact NH1-O 3.22Å; R82-W98 PolarHBondContact NH2-O 2.9Å; I94-W98 HydrophobicContact CG2-CB 3.91Å; I94-W98 HydrophobicContact CG2-CD2 4.13Å; I94-W98 HydrophobicContact CG2-CE3 3.64Å; I94-W98 HydrophobicContact CG2-CG 4.29Å; I94-W98 HydrophobicContact CG2-CZ3 4.43Å; P95-W98 HydrophobicContact CB-CG 4.44Å; P95-W98 HydrophobicContact CG-CD2 4.32Å; P95-W98 HydrophobicContact CG-CZ2 4.28Å; P95-W98 WeakPolarHBondContact O-CB 3.32Å; P95-W98 PolarHBondContact O-N 2.76Å; W98-P100 VanDerWaalsContact C-CD 3.42Å; W98-P100 VanDerWaalsContact O-CD 3.3Å; W98-P100 WeakPolarHBondContact O-CD 3.21Å; W98-I105 HydrophobicContact CE3-CD1 4.1Å; W98-F259 HydrophobicContact CH2-CB 4.16Å; W98-F259 AromaticContact CH2-CD2 3.98Å; W98-F259 HydrophobicContact CH2-CD2 3.98Å; W98-F259 HydrophobicContact CH2-CG 4.23Å; W98-F259 HydrophobicContact CZ3-CB 3.72Å; W98-F259 HydrophobicContact CZ3-CD2 4.01Å; W98-F259 AromaticContact CZ3-CG 3.83Å; W98-F259 HydrophobicContact CZ3-CG 3.83Å; W98-F261 HydrophobicContact CB-CE1 4.22Å; W98-F261 HydrophobicContact CB-CE2 4.25Å; W98-F261 HydrophobicContact CB-CZ 3.67Å; W98-F261 AromaticContact CD2-CE1 3.63Å; W98-F261 HydrophobicContact CD2-CE1 3.63Å; W98-F261 AromaticContact CD2-CZ 3.77Å; W98-F261 HydrophobicContact CD2-CZ 3.77Å; W98-F261 HydrophobicContact CE3-CD1 4.23Å; W98-F261 AromaticContact CE3-CE1 3.4Å; W98-F261 HydrophobicContact CE3-CE1 3.4Å; W98-F261 HydrophobicContact CE3-CZ 4Å; W98-F261 AromaticContact CG-CE1 3.99Å; W98-F261 HydrophobicContact CG-CE1 3.99Å; W98-F261 AromaticContact CG-CZ 3.61Å; W98-F261 HydrophobicContact CG-CZ 3.61Å; W98-F261 HydrophobicContact CZ3-CE1 4.04Å; W98-C270 HydrophobicContact CH2-CB 3.36Å; W98-C270 HydrophobicContact CZ2-CB 3.6Å; W98-C270 HydrophobicContact CZ3-CB 4.35Å; W98-L282 HydrophobicContact CH2-CD1 3.8Å; W98-L282 HydrophobicContact CH2-CG 4.17Å; W98-L282 HydrophobicContact CZ2-CD1 4.26Å; W98-L282 HydrophobicContact CZ2-CG 4.46Å; W98-L287 HydrophobicContact CD2-CD2 4.19Å; W98-L287 HydrophobicContact CG-CD1 4.39Å; W98-L287 HydrophobicContact CH2-CD2 4.48Å; W98-L287 HydrophobicContact CZ2-CD2 3.85Å; W98-L287 HydrophobicContact CZ2-CG 4.44Å
99	N	94.7	Very high	96.3	Very high	92 Å²	92	50.5 Å²	50.5	49%	0.492	28%	0.278	S	S	.	.			trans	-121.6	69.5	-173.7	-65.1	-53.4	0	0	0	111.3	S96 H97	S96-N99 PolarHBondContact O-ND2 3.07Å; S96-N99 PolarHBondContact O-OD1 2.84Å; H97-N99 PolarHBondContact O-N 2.86Å; H97-N99 PolarHBondContact O-ND2 2.84Å
100	P	96.4	Very high	96.5	Very high	11 Å²	11	48.8 Å²	48.8	7%	0.071	26%	0.258	C	S	.	.			trans	-59.7	129.8	174.2	24.1	-31.2	0	0	0	110.2	I77 W98 D102 G103 I105 F261 H262	I77-P100 HydrophobicContact CD1-CG 3.74Å; I77-P100 HydrophobicContact CG1-CG 4.18Å; W98-P100 VanDerWaalsContact C-CD 3.42Å; W98-P100 VanDerWaalsContact O-CD 3.3Å; W98-P100 WeakPolarHBondContact O-CD 3.21Å; P100-D102 PolarHBondContact O-N 2.86Å; P100-G103 PolarHBondContact O-N 2.86Å; P100-I105 HydrophobicContact CG-CG1 4.19Å; P100-F261 HydrophobicContact CB-CB 4.2Å; P100-F261 HydrophobicContact CB-CD2 3.87Å; P100-F261 HydrophobicContact CB-CG 4.39Å; P100-F261 HydrophobicContact CG-CD2 4.21Å; P100-H262 WeakPolarHBondContact CA-O 3.33Å; P100-H262 WeakPolarHBondContact CB-O 2.99Å
101	P	96.3	Very high	96.6	Very high	100 Å²	100	46.8 Å²	46.8	65%	0.649	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.5	-177.9	-26.7	35	0	0	0	114.4	G103 H262	P101-G103 VanDerWaalsContact C-N 3.33Å; P101-H262 WeakPolarHBondContact CD-O 3.42Å
102	D	95.4	Very high	96.6	Very high	86 Å²	86	38.8 Å²	38.8	46%	0.46	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.8	175.9	66.5	-2.8	0	0	0	113.2	P100 I104	P100-D102 PolarHBondContact O-N 2.86Å; D102-I104 HydrophobicContact CB-CD1 4.39Å; D102-I104 HydrophobicContact CB-CG1 4.32Å; D102-I104 PolarHBondContact O-N 3.3Å; D102-I104 WeakPolarHBondContact OD1-CB 3.39Å; D102-I104 PolarHBondContact OD1-N 3.34Å
103	G	96	Very high	96.5	Very high	13 Å²	13	40 Å²	40	13%	0.134	23%	0.227	C	C	.	.			trans	69.5	9.1	-175.5	0	0	0	0	0	114.2	F76 I77 P100 P101	F76-G103 CarbonylContact C-O 3.5Å; F76-G103 VanDerWaalsContact CA-O 3.3Å; F76-G103 WeakPolarHBondContact CA-O 3.3Å; I77-G103 WeakPolarHBondContact CG1-O 3.46Å; I77-G103 PolarHBondContact N-O 2.9Å; P100-G103 PolarHBondContact O-N 2.86Å; P101-G103 VanDerWaalsContact C-N 3.33Å
104	I	97.3	Very high	96.5	Very high	28 Å²	28	36 Å²	36	14%	0.144	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124	-172.5	-59.7	177.1	0	0	0	110.8	K74 F76 D102 F261	K74-I104 HydrophobicContact CB-CG2 4.15Å; K74-I104 HydrophobicContact CD-CG2 3.87Å; K74-I104 HydrophobicContact CG-CG2 3.96Å; F76-I104 HydrophobicContact CD1-CG1 3.83Å; F76-I104 HydrophobicContact CE1-CD1 3.78Å; F76-I104 HydrophobicContact CE1-CG1 3.44Å; F76-I104 VanDerWaalsContact CE1-CG1 3.44Å; F76-I104 HydrophobicContact CZ-CD1 4.17Å; F76-I104 HydrophobicContact CZ-CG1 4.13Å; D102-I104 HydrophobicContact CB-CD1 4.39Å; D102-I104 HydrophobicContact CB-CG1 4.32Å; D102-I104 PolarHBondContact O-N 3.3Å; D102-I104 WeakPolarHBondContact OD1-CB 3.39Å; D102-I104 PolarHBondContact OD1-N 3.34Å; I104-F261 VanDerWaalsContact O-CB 3.29Å; I104-F261 WeakPolarHBondContact O-CB 3.38Å
105	I	97.8	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.6	164.6	-65	177.8	0	0	0	109.4	K74 R75 I77 I94 W98 P100 I107 F259 F261	K74-I105 CarbonylContact C-O 3.53Å; K74-I105 WeakPolarHBondContact CA-O 3.03Å; R75-I105 PolarHBondContact N-O 3.1Å; R75-I105 PolarHBondContact O-N 2.89Å; I77-I105 HydrophobicContact CD1-CD1 3.39Å; I77-I105 HydrophobicContact CD1-CG1 3.92Å; I77-I105 HydrophobicContact CG1-CD1 3.92Å; I77-I105 HydrophobicContact CG1-CG1 4.1Å; I77-I105 HydrophobicContact CG2-CD1 4.38Å; I94-I105 HydrophobicContact CB-CD1 4.41Å; I94-I105 HydrophobicContact CD1-CD1 4.39Å; I94-I105 HydrophobicContact CG1-CD1 4.08Å; I94-I105 HydrophobicContact CG2-CD1 3.48Å; I94-I105 VanDerWaalsContact CG2-CD1 3.48Å; W98-I105 HydrophobicContact CE3-CD1 4.1Å; P100-I105 HydrophobicContact CG-CG1 4.19Å; I105-I107 HydrophobicContact CG2-CG1 4.44Å; I105-F259 HydrophobicContact CG2-CB 4.14Å; I105-F259 HydrophobicContact CG2-CD1 3.79Å; I105-F259 HydrophobicContact CG2-CG 4.42Å; I105-F261 HydrophobicContact CD1-CD1 4.46Å; I105-F261 HydrophobicContact CG1-CB 4.07Å; I105-F261 HydrophobicContact CG1-CD1 4.11Å; I105-F261 HydrophobicContact CG1-CG 4.19Å
106	R	98.5	Very high	96.4	Very high	27 Å²	27	35.7 Å²	35.7	10%	0.102	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	142.8	171.2	-57.8	171.5	174.5	-96.8	8.8	110.2	M71 Y73 K74 F259 V260 G316	M71-R106 HydrophobicContact CB-CB 3.91Å; M71-R106 HydrophobicContact CE-CB 4.33Å; M71-R106 WeakPolarHBondContact CE-O 3.38Å; M71-R106 PolarHBondContact O-NH1 2.81Å; Y73-R106 CarbonylContact O-C 3.56Å; Y73-R106 VanDerWaalsContact O-CA 3.22Å; Y73-R106 WeakPolarHBondContact O-CA 3.45Å; K74-R106 HydrophobicContact CG-CG 4.27Å; R106-F259 CarbonylContact O-C 3.59Å; R106-F259 VanDerWaalsContact O-CA 3.31Å; R106-F259 WeakPolarHBondContact O-CA 3.48Å; R106-V260 WeakPolarHBondContact CA-O 3.3Å; R106-V260 HydrophobicContact CB-CB 4.48Å; R106-V260 WeakPolarHBondContact CB-O 3.19Å; R106-V260 PolarHBondContact N-O 3.06Å; R106-V260 PolarHBondContact O-N 2.78Å; R106-G316 WeakPolarHBondContact CD-O 3.49Å
107	I	98.4	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.8	-177	-48	179.1	0	0	0	109.4	Y73 R75 I84 L87 I105 C258 F259	Y73-I107 PolarHBondContact N-O 2.66Å; Y73-I107 PolarHBondContact O-N 2.82Å; R75-I107 HydrophobicContact CB-CD1 4.25Å; R75-I107 HydrophobicContact CG-CD1 3.4Å; R75-I107 VanDerWaalsContact CG-CD1 3.4Å; R75-I107 HydrophobicContact CG-CG1 4.37Å; I84-I107 HydrophobicContact CD1-CD1 3.59Å; L87-I107 HydrophobicContact CD1-CG2 4.11Å; L87-I107 HydrophobicContact CG-CG2 3.93Å; I105-I107 HydrophobicContact CG2-CG1 4.44Å; I107-C258 CarbonylContact C-O 3.5Å; I107-C258 VanDerWaalsContact CA-O 3.31Å; I107-C258 WeakPolarHBondContact CA-O 3.18Å; I107-F259 HydrophobicContact CD1-CE1 4.13Å; I107-F259 HydrophobicContact CG1-CD1 4.01Å; I107-F259 HydrophobicContact CG1-CE1 4.05Å; I107-F259 HydrophobicContact CG2-CE1 4.26Å
108	G	98.4	Very high	96.4	Very high	2 Å²	2	32 Å²	32	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	172.9	172	0	0	0	0	0	110.1	C258	G108-C258 PolarHBondContact N-O 3Å; G108-C258 PolarHBondContact O-N 2.56Å
109	V	97.7	Very high	96.2	Very high	58 Å²	58	38.3 Å²	38.3	35%	0.352	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.1	175.5	-78.2	0	0	0	0	110	L87 T88 I255 Y256 D257	L87-V109 HydrophobicContact CB-CG1 3.54Å; L87-V109 HydrophobicContact CD1-CG1 4.17Å; L87-V109 HydrophobicContact CD1-CG2 4.35Å; L87-V109 HydrophobicContact CG-CG1 4.44Å; T88-V109 HydrophobicContact CG2-CG1 3.99Å; V109-I255 HydrophobicContact CB-CG2 4.15Å; V109-I255 HydrophobicContact CG1-CG2 4.32Å; V109-Y256 CarbonylContact C-O 3.53Å; V109-Y256 VanDerWaalsContact CA-O 3.3Å; V109-Y256 WeakPolarHBondContact CA-O 3.43Å; V109-D257 WeakPolarHBondContact CG1-OD1 3.34Å
110	K	97.9	Very high	96.2	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	114.9	175.8	-165.1	52.7	160.3	-173.8	0	111.9	S66 D68 V69 E114 L115 Y256 I321	S66-K110 WeakPolarHBondContact O-CE 3.25Å; S66-K110 PolarHBondContact O-NZ 2.85Å; D68-K110 PolarHBondContact O-NZ 2.91Å; V69-K110 HydrophobicContact CG2-CB 3.83Å; V69-K110 HydrophobicContact CG2-CD 3.94Å; V69-K110 HydrophobicContact CG2-CG 3.91Å; K110-E114 HydrophobicContact CD-CB 4.47Å; K110-E114 IonicContact NZ-OE2 3.31Å; K110-E114 PolarHBondContact NZ-OE2 2.85Å; K110-L115 HydrophobicContact CB-CD1 4.38Å; K110-L115 HydrophobicContact CG-CD1 3.62Å; K110-L115 HydrophobicContact CG-CD2 3.98Å; K110-L115 HydrophobicContact CG-CG 3.76Å; K110-Y256 PolarHBondContact N-O 3.07Å; K110-Y256 PolarHBondContact O-N 2.79Å; K110-I321 HydrophobicContact CB-CD1 4.29Å; K110-I321 HydrophobicContact CG-CD1 4.27Å
111	P	96.5	Very high	96	Very high	24 Å²	24	34.8 Å²	34.8	16%	0.156	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	137.7	169.9	25.2	-35.6	0	0	0	111.2	S113 E114 E253	P111-S113 PolarHBondContact O-N 3.31Å; P111-E114 HydrophobicContact CG-CB 4.24Å; P111-E114 HydrophobicContact CG-CG 3.74Å; P111-E114 WeakPolarHBondContact CG-OE1 3.44Å; P111-E114 PolarHBondContact O-N 3.26Å; P111-E114 VanDerWaalsContact O-N 3.16Å; P111-E253 HydrophobicContact CB-CG 4.43Å; P111-E253 WeakPolarHBondContact CB-OE1 3.37Å
112	A	96.5	Very high	95.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-63.3	-26.3	175.4	0	0	0	0	0	112.1	E114 L115 F116 M121 I254 Y256	A112-E114 PolarHBondContact O-N 3.18Å; A112-L115 PolarHBondContact O-N 2.84Å; A112-F116 HydrophobicContact CB-CD1 4.34Å; A112-F116 HydrophobicContact CB-CD2 3.95Å; A112-F116 HydrophobicContact CB-CE1 4.33Å; A112-F116 HydrophobicContact CB-CE2 3.95Å; A112-F116 HydrophobicContact CB-CG 4.17Å; A112-F116 HydrophobicContact CB-CZ 4.18Å; A112-F116 VanDerWaalsContact O-CB 3.31Å; A112-F116 WeakPolarHBondContact O-CB 3.33Å; A112-F116 PolarHBondContact O-N 3.26Å; A112-M121 HydrophobicContact CB-SD 4.2Å; A112-I254 HydrophobicContact CB-CB 3.7Å; A112-I254 HydrophobicContact CB-CG2 3.79Å; A112-I254 WeakPolarHBondContact CB-O 3.33Å; A112-I254 PolarHBondContact N-O 2.89Å; A112-Y256 HydrophobicContact CB-CE2 3.82Å
113	S	93.9	Very high	95.7	Very high	40 Å²	40	36.5 Å²	36.5	28%	0.28	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-62.7	-21.8	176	66.5	0	0	0	0	113.8	P111 E253	P111-S113 PolarHBondContact O-N 3.31Å; S113-E253 WeakPolarHBondContact CB-OE1 3.5Å; S113-E253 PolarHBondContact OG-OE1 2.59Å
114	E	96	Very high	95.5	Very high	56 Å²	56	36.8 Å²	36.8	26%	0.262	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-89.3	-13.2	173.9	-66.6	-174.7	-155.1	0	0	112.8	S66 K110 P111 A112 S381 R382	S66-E114 WeakPolarHBondContact CB-O 3.17Å; S66-E114 PolarHBondContact OG-O 3.29Å; K110-E114 HydrophobicContact CD-CB 4.47Å; K110-E114 IonicContact NZ-OE2 3.31Å; K110-E114 PolarHBondContact NZ-OE2 2.85Å; P111-E114 HydrophobicContact CG-CB 4.24Å; P111-E114 HydrophobicContact CG-CG 3.74Å; P111-E114 WeakPolarHBondContact CG-OE1 3.44Å; P111-E114 PolarHBondContact O-N 3.26Å; P111-E114 VanDerWaalsContact O-N 3.16Å; A112-E114 PolarHBondContact O-N 3.18Å; E114-S381 PolarHBondContact O-OG 3.24Å; E114-R382 HydrophobicContact CB-CG 4.16Å; E114-R382 HydrophobicContact CG-CG 3.89Å
115	L	96.8	Very high	95.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-41	-178.1	-64	175.3	0	0	0	112.3	K110 A112 Y256 F300 I321 T323	K110-L115 HydrophobicContact CB-CD1 4.38Å; K110-L115 HydrophobicContact CG-CD1 3.62Å; K110-L115 HydrophobicContact CG-CD2 3.98Å; K110-L115 HydrophobicContact CG-CG 3.76Å; A112-L115 PolarHBondContact O-N 2.84Å; L115-Y256 HydrophobicContact CD1-CD2 4.25Å; L115-F300 HydrophobicContact CD1-CE1 4.04Å; L115-F300 HydrophobicContact CD1-CZ 3.83Å; L115-I321 HydrophobicContact CD1-CD1 4.12Å; L115-I321 HydrophobicContact CD1-CG2 4.35Å; L115-I321 HydrophobicContact CD2-CB 4.03Å; L115-I321 HydrophobicContact CD2-CG2 4.11Å; L115-T323 HydrophobicContact CB-CG2 4.44Å; L115-T323 VanDerWaalsContact O-CG2 3.3Å; L115-T323 WeakPolarHBondContact O-CG2 3.13Å
116	F	96.3	Very high	94.9	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.211	C	C	.	.	S	Bend	trans	-86.6	145	-166.5	-71.3	8.8	0	0	0	111.3	A112 L120 M121 L124 Y256 F300 T304 L306	A112-F116 HydrophobicContact CB-CD1 4.34Å; A112-F116 HydrophobicContact CB-CD2 3.95Å; A112-F116 HydrophobicContact CB-CE1 4.33Å; A112-F116 HydrophobicContact CB-CE2 3.95Å; A112-F116 HydrophobicContact CB-CG 4.17Å; A112-F116 HydrophobicContact CB-CZ 4.18Å; A112-F116 VanDerWaalsContact O-CB 3.31Å; A112-F116 WeakPolarHBondContact O-CB 3.33Å; A112-F116 PolarHBondContact O-N 3.26Å; F116-L120 HydrophobicContact CB-CD2 4.02Å; F116-L120 HydrophobicContact CB-CG 4.43Å; F116-L120 HydrophobicContact CD2-CD2 3.71Å; F116-L120 HydrophobicContact CD2-CG 4.1Å; F116-L120 HydrophobicContact CE2-CD2 4.25Å; F116-L120 HydrophobicContact CG-CD2 3.85Å; F116-M121 HydrophobicContact CB-CG 3.69Å; F116-M121 HydrophobicContact CB-SD 3.78Å; F116-M121 HydrophobicContact CD2-SD 3.6Å; F116-M121 HydrophobicContact CG-SD 4.07Å; F116-L124 HydrophobicContact CD2-CD1 3.95Å; F116-L124 HydrophobicContact CE2-CD1 3.85Å; F116-Y256 HydrophobicContact CE1-CE2 4.21Å; F116-Y256 HydrophobicContact CZ-CE2 4.08Å; F116-Y256 WeakPolarHBondContact CZ-OH 3.37Å; F116-F300 HydrophobicContact CE1-CB 4.16Å; F116-F300 AromaticContact CE1-CD1 3.98Å; F116-F300 HydrophobicContact CE1-CD1 3.98Å; F116-F300 AromaticContact CE1-CD2 3.58Å; F116-F300 HydrophobicContact CE1-CD2 3.58Å; F116-F300 HydrophobicContact CE1-CE1 4.23Å; F116-F300 AromaticContact CE1-CE2 3.84Å; F116-F300 HydrophobicContact CE1-CE2 3.84Å; F116-F300 AromaticContact CE1-CG 3.64Å; F116-F300 HydrophobicContact CE1-CG 3.64Å; F116-F300 HydrophobicContact CE1-CZ 4.17Å; F116-F300 HydrophobicContact CZ-CB 3.85Å; F116-F300 HydrophobicContact CZ-CD1 4.19Å; F116-F300 HydrophobicContact CZ-CD2 4.15Å; F116-F300 AromaticContact CZ-CG 3.82Å; F116-F300 HydrophobicContact CZ-CG 3.82Å; F116-T304 HydrophobicContact CE2-CG2 3.83Å; F116-T304 HydrophobicContact CZ-CG2 3.92Å; F116-L306 HydrophobicContact CD1-CD2 3.38Å; F116-L306 HydrophobicContact CE1-CD2 3.68Å; F116-L306 HydrophobicContact CG-CD2 4.07Å
117	P	95.3	Very high	94.6	Very high	23 Å²	23	44.2 Å²	44.2	15%	0.149	22%	0.222	C	C	.	.			trans	-52.7	143.1	167.9	-23.6	30.7	0	0	0	111.8	L119 L120 M121 N325	P117-L119 VanDerWaalsContact C-N 3.26Å; P117-L119 PolarHBondContact O-N 2.89Å; P117-L120 HydrophobicContact CB-CB 4.18Å; P117-L120 HydrophobicContact CG-CB 4.39Å; P117-L120 WeakPolarHBondContact O-CB 3.33Å; P117-L120 PolarHBondContact O-N 2.92Å; P117-M121 PolarHBondContact O-N 3.43Å; P117-N325 WeakPolarHBondContact CB-O 3.48Å; P117-N325 WeakPolarHBondContact CG-O 3.3Å
118	K	92.1	Very high	94.1	Very high	103 Å²	103	47.2 Å²	47.2	45%	0.448	24%	0.238	S	C	.	.	H	α-helix	trans	-54.5	-41.2	178.8	-74.7	-177.7	173.9	172.6	0	112.8	M121 Q122 R382 L383	K118-M121 PolarHBondContact O-N 3.43Å; K118-Q122 VanDerWaalsContact O-CG 3.31Å; K118-Q122 WeakPolarHBondContact O-CG 3.48Å; K118-Q122 PolarHBondContact O-N 2.78Å; K118-R382 WeakPolarHBondContact CE-O 3.29Å; K118-L383 PolarHBondContact NZ-O 3.48Å
119	L	92.3	Very high	93.8	Very high	133 Å²	133	50.7 Å²	50.7	70%	0.696	25%	0.25	S	S	*	.	H	α-helix	trans	-66.1	-36.8	178.3	-65.5	179	0	0	0	112.2	P117 Q122 R123	P117-L119 VanDerWaalsContact C-N 3.26Å; P117-L119 PolarHBondContact O-N 2.89Å; L119-Q122 PolarHBondContact O-N 3.2Å; L119-R123 PolarHBondContact O-N 3.44Å
120	L	94.1	Very high	93.5	Very high	18 Å²	18	51.6 Å²	51.6	9%	0.094	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-47.3	173.9	174.3	59.8	0	0	0	110.6	F116 P117 Q122 R123 L124 L306	F116-L120 HydrophobicContact CB-CD2 4.02Å; F116-L120 HydrophobicContact CB-CG 4.43Å; F116-L120 HydrophobicContact CD2-CD2 3.71Å; F116-L120 HydrophobicContact CD2-CG 4.1Å; F116-L120 HydrophobicContact CE2-CD2 4.25Å; F116-L120 HydrophobicContact CG-CD2 3.85Å; P117-L120 HydrophobicContact CB-CB 4.18Å; P117-L120 HydrophobicContact CG-CB 4.39Å; P117-L120 WeakPolarHBondContact O-CB 3.33Å; P117-L120 PolarHBondContact O-N 2.92Å; L120-Q122 VanDerWaalsContact C-N 3.32Å; L120-Q122 PolarHBondContact O-N 3.47Å; L120-R123 PolarHBondContact O-N 3.21Å; L120-L124 HydrophobicContact CD1-CD1 4.05Å; L120-L124 HydrophobicContact CD1-CD2 4.48Å; L120-L124 HydrophobicContact CD1-CG 4.01Å; L120-L124 HydrophobicContact CG-CD1 4.1Å; L120-L124 HydrophobicContact CG-CG 4.45Å; L120-L124 WeakPolarHBondContact O-CG 3.04Å; L120-L124 PolarHBondContact O-N 2.71Å; L120-L306 HydrophobicContact CD2-CB 4.17Å; L120-L306 HydrophobicContact CD2-CD2 4.02Å
121	M	92.1	Very high	93.2	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.059	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-41.3	176.9	-73.7	-59.8	-64.3	0	0	112.2	A112 F116 P117 K118 L124 R125	A112-M121 HydrophobicContact CB-SD 4.2Å; F116-M121 HydrophobicContact CB-CG 3.69Å; F116-M121 HydrophobicContact CB-SD 3.78Å; F116-M121 HydrophobicContact CD2-SD 3.6Å; F116-M121 HydrophobicContact CG-SD 4.07Å; P117-M121 PolarHBondContact O-N 3.43Å; K118-M121 PolarHBondContact O-N 3.43Å; M121-L124 PolarHBondContact O-N 3.28Å; M121-R125 VanDerWaalsContact O-CB 3.3Å; M121-R125 WeakPolarHBondContact O-CB 3.49Å; M121-R125 WeakPolarHBondContact O-CG 3.32Å; M121-R125 PolarHBondContact O-N 2.93Å
122	Q	91.6	Very high	92.8	Very high	122 Å²	122	61.6 Å²	61.6	57%	0.57	30%	0.299	S	S	*	.	H	α-helix	trans	-61.5	-44	175.6	-74.4	172.6	4.5	0	0	111.8	K118 L119 L120 R125 G126	K118-Q122 VanDerWaalsContact O-CG 3.31Å; K118-Q122 WeakPolarHBondContact O-CG 3.48Å; K118-Q122 PolarHBondContact O-N 2.78Å; L119-Q122 PolarHBondContact O-N 3.2Å; L120-Q122 VanDerWaalsContact C-N 3.32Å; L120-Q122 PolarHBondContact O-N 3.47Å; Q122-R125 PolarHBondContact O-N 3.14Å; Q122-G126 PolarHBondContact O-N 3.49Å
123	R	93.6	Very high	92.6	Very high	99 Å²	99	64.4 Å²	64.4	37%	0.374	31%	0.31	S	S	.	.	H	α-helix	trans	-60.2	-53.1	176.3	179.4	175	65.4	86.1	-7.3	111.6	L119 L120 R125 G126 E127 Q303	L119-R123 PolarHBondContact O-N 3.44Å; L120-R123 PolarHBondContact O-N 3.21Å; R123-R125 VanDerWaalsContact C-N 3.29Å; R123-R125 PolarHBondContact O-N 2.74Å; R123-G126 PolarHBondContact O-N 3.49Å; R123-G126 VanDerWaalsContact O-N 3.12Å; R123-E127 WeakPolarHBondContact CD-OE1 3.33Å; R123-E127 HydrophobicContact CG-CG 4.41Å; R123-E127 WeakPolarHBondContact CG-OE1 2.99Å; R123-E127 IonicContact CZ-OE1 3.51Å; R123-E127 IonicContact NH1-OE1 3.82Å; R123-E127 PolarHBondContact NH1-OE1 2.72Å; R123-E127 IonicContact NH1-OE2 2.85Å; R123-E127 WeakPolarHBondContact O-CG 3.39Å; R123-E127 PolarHBondContact O-N 2.86Å; R123-Q303 PolarHBondContact NH1-O 3.34Å; R123-Q303 VanDerWaalsContact NH1-O 3.15Å; R123-Q303 PolarHBondContact NH2-O 3.4Å
124	L	92.3	Very high	92.5	Very high	20 Å²	20	67.2 Å²	67.2	11%	0.105	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-38.3	-179.2	-66.1	176.2	0	0	0	112.2	F116 L120 M121 N128 I254 Q303 T304	F116-L124 HydrophobicContact CD2-CD1 3.95Å; F116-L124 HydrophobicContact CE2-CD1 3.85Å; L120-L124 HydrophobicContact CD1-CD1 4.05Å; L120-L124 HydrophobicContact CD1-CD2 4.48Å; L120-L124 HydrophobicContact CD1-CG 4.01Å; L120-L124 HydrophobicContact CG-CD1 4.1Å; L120-L124 HydrophobicContact CG-CG 4.45Å; L120-L124 WeakPolarHBondContact O-CG 3.04Å; L120-L124 PolarHBondContact O-N 2.71Å; M121-L124 PolarHBondContact O-N 3.28Å; L124-N128 WeakPolarHBondContact O-CB 3.39Å; L124-N128 PolarHBondContact O-N 3.16Å; L124-I254 HydrophobicContact CD1-CD1 4.27Å; L124-Q303 HydrophobicContact CD2-CG 4.33Å; L124-T304 HydrophobicContact CD1-CG2 4.36Å
125	R	91.3	Very high	92.4	Very high	109 Å²	109	67.2 Å²	67.2	41%	0.411	32%	0.32	S	S	.	.	H	α-helix	trans	-68.3	-39.5	175.7	-71.3	177.2	171.6	169.5	-1.7	112.2	M121 Q122 R123 N128 R129 P251	M121-R125 VanDerWaalsContact O-CB 3.3Å; M121-R125 WeakPolarHBondContact O-CB 3.49Å; M121-R125 WeakPolarHBondContact O-CG 3.32Å; M121-R125 PolarHBondContact O-N 2.93Å; Q122-R125 PolarHBondContact O-N 3.14Å; R123-R125 VanDerWaalsContact C-N 3.29Å; R123-R125 PolarHBondContact O-N 2.74Å; R125-N128 PolarHBondContact O-N 2.85Å; R125-R129 WeakPolarHBondContact O-CB 3.07Å; R125-R129 PolarHBondContact O-N 3.13Å; R125-P251 HydrophobicContact CB-CG 3.91Å; R125-P251 HydrophobicContact CG-CB 4.47Å; R125-P251 HydrophobicContact CG-CG 3.53Å
126	G	91.6	Very high	92.2	Very high	30 Å²	30	69 Å²	69	31%	0.309	33%	0.332	S	S	.	.	H	α-helix	trans	-62.6	-49.8	174.1	0	0	0	0	0	111.7	Q122 R123 N128 R129 D130	Q122-G126 PolarHBondContact O-N 3.49Å; R123-G126 PolarHBondContact O-N 3.49Å; R123-G126 VanDerWaalsContact O-N 3.12Å; G126-N128 VanDerWaalsContact C-N 3.32Å; G126-N128 PolarHBondContact O-N 2.86Å; G126-R129 WeakPolarHBondContact O-CB 3.38Å; G126-R129 PolarHBondContact O-N 3.26Å; G126-R129 VanDerWaalsContact O-N 3.16Å; G126-D130 WeakPolarHBondContact O-CB 3.34Å; G126-D130 PolarHBondContact O-N 3.4Å
127	E	91.3	Very high	91.9	Very high	71 Å²	71	69.9 Å²	69.9	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-58.2	-43.2	175.2	-71.6	170.9	-166	0	0	111.4	R123 R129 D130 N131	R123-E127 WeakPolarHBondContact CD-OE1 3.33Å; R123-E127 HydrophobicContact CG-CG 4.41Å; R123-E127 WeakPolarHBondContact CG-OE1 2.99Å; R123-E127 IonicContact CZ-OE1 3.51Å; R123-E127 IonicContact NH1-OE1 3.82Å; R123-E127 PolarHBondContact NH1-OE1 2.72Å; R123-E127 IonicContact NH1-OE2 2.85Å; R123-E127 WeakPolarHBondContact O-CG 3.39Å; R123-E127 PolarHBondContact O-N 2.86Å; E127-R129 PolarHBondContact O-N 3.08Å; E127-D130 PolarHBondContact O-N 3.45Å; E127-N131 WeakPolarHBondContact O-CB 3.37Å; E127-N131 VanDerWaalsContact O-CG 3.25Å; E127-N131 PolarHBondContact O-N 2.87Å; E127-N131 PolarHBondContact O-ND2 2.57Å
128	N	89.6	Confident	91.8	Very high	63 Å²	63	76 Å²	76	34%	0.337	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-42.4	177	-165	-89.1	0	0	0	112	L124 R125 G126 D130 F132 W133 Y249	L124-N128 WeakPolarHBondContact O-CB 3.39Å; L124-N128 PolarHBondContact O-N 3.16Å; R125-N128 PolarHBondContact O-N 2.85Å; G126-N128 VanDerWaalsContact C-N 3.32Å; G126-N128 PolarHBondContact O-N 2.86Å; N128-D130 PolarHBondContact O-N 3.3Å; N128-F132 WeakPolarHBondContact ND2-CD2 2.87Å; N128-F132 WeakPolarHBondContact O-CB 3.44Å; N128-F132 PolarHBondContact O-N 2.89Å; N128-W133 PolarHBondContact O-N 3.14Å; N128-Y249 PolarHBondContact OD1-OH 2.86Å
129	R	90.8	Very high	91.9	Very high	75 Å²	75	77.9 Å²	77.9	28%	0.283	37%	0.365	S	S	.	.	I	π-helix	trans	-61	-45.6	176.7	-171	179.6	177.4	-172.5	-1	111.4	R125 G126 E127 W133 R134 D246 Y249	R125-R129 WeakPolarHBondContact O-CB 3.07Å; R125-R129 PolarHBondContact O-N 3.13Å; G126-R129 WeakPolarHBondContact O-CB 3.38Å; G126-R129 PolarHBondContact O-N 3.26Å; G126-R129 VanDerWaalsContact O-N 3.16Å; E127-R129 PolarHBondContact O-N 3.08Å; R129-W133 HydrophobicContact CG-CB 4.4Å; R129-W133 WeakPolarHBondContact O-CB 3.41Å; R129-W133 PolarHBondContact O-N 3.25Å; R129-R134 HydrophobicContact CG-CG 4.38Å; R129-R134 WeakPolarHBondContact O-CB 3.42Å; R129-R134 PolarHBondContact O-N 2.62Å; R129-D246 IonicContact CZ-OD1 3.98Å; R129-D246 IonicContact CZ-OD2 3.97Å; R129-D246 IonicContact NE-OD1 2.67Å; R129-D246 PolarHBondContact NH2-O 2.85Å; R129-D246 IonicContact NH2-OD1 3.42Å; R129-D246 PolarHBondContact NH2-OD1 3.34Å; R129-D246 IonicContact NH2-OD2 2.85Å; R129-D246 PolarHBondContact NH2-OD2 3.27Å; R129-Y249 HydrophobicContact CB-CD1 4.05Å; R129-Y249 HydrophobicContact CB-CE1 3.64Å; R129-Y249 HydrophobicContact CG-CD1 3.7Å; R129-Y249 HydrophobicContact CG-CE1 3.8Å
130	D	91.9	Very high	91.9	Very high	78 Å²	78	74.9 Å²	74.9	42%	0.417	35%	0.349	S	S	.	.	I	π-helix	trans	-75.6	-37	-175.3	-72.8	-24.6	0	0	0	112.8	G126 E127 N128 R134 P135	G126-D130 WeakPolarHBondContact O-CB 3.34Å; G126-D130 PolarHBondContact O-N 3.4Å; E127-D130 PolarHBondContact O-N 3.45Å; N128-D130 PolarHBondContact O-N 3.3Å; D130-R134 WeakPolarHBondContact OD1-CD 3.36Å; D130-R134 IonicContact OD1-CZ 2.7Å; D130-R134 IonicContact OD1-NE 3.62Å; D130-R134 IonicContact OD1-NH1 3.72Å; D130-R134 PolarHBondContact OD1-NH1 3.44Å; D130-P135 WeakPolarHBondContact O-CD 3.28Å
131	N	91	Very high	91.8	Very high	104 Å²	104	76 Å²	76	56%	0.556	36%	0.36	S	S	*	.	I	π-helix	trans	-86.8	-28.6	-175	-66.4	-23.6	0	0	0	113.7	E127	E127-N131 WeakPolarHBondContact O-CB 3.37Å; E127-N131 VanDerWaalsContact O-CG 3.25Å; E127-N131 PolarHBondContact O-N 2.87Å; E127-N131 PolarHBondContact O-ND2 2.57Å
132	F	88.8	Confident	91.9	Very high	136 Å²	136	78.2 Å²	78.2	60%	0.596	38%	0.38	S	S	*	.	I	π-helix	trans	-120.9	-52	-173.6	-55.4	-78.6	0	0	0	112.7	N128 C136	N128-F132 WeakPolarHBondContact ND2-CD2 2.87Å; N128-F132 WeakPolarHBondContact O-CB 3.44Å; N128-F132 PolarHBondContact O-N 2.89Å; F132-C136 WeakPolarHBondContact O-CB 3.34Å; F132-C136 PolarHBondContact O-N 2.85Å
133	W	92.4	Very high	91.9	Very high	58 Å²	58	76.7 Å²	76.7	22%	0.22	38%	0.376	C	S	.	.	I	π-helix	trans	-70.9	-53	-173.3	174.7	-105.1	0	0	0	112.9	N128 R129 C136 I137 L245 D246 Y249	N128-W133 PolarHBondContact O-N 3.14Å; R129-W133 HydrophobicContact CG-CB 4.4Å; R129-W133 WeakPolarHBondContact O-CB 3.41Å; R129-W133 PolarHBondContact O-N 3.25Å; W133-C136 WeakPolarHBondContact O-CA 3.42Å; W133-C136 VanDerWaalsContact O-CB 3.3Å; W133-C136 WeakPolarHBondContact O-CB 3.42Å; W133-C136 PolarHBondContact O-N 3.4Å; W133-C136 VanDerWaalsContact O-N 3.08Å; W133-I137 HydrophobicContact CD2-CG1 3.9Å; W133-I137 HydrophobicContact CE3-CG1 4.39Å; W133-I137 HydrophobicContact CG-CG1 4.44Å; W133-I137 HydrophobicContact CH2-CD1 3.71Å; W133-I137 HydrophobicContact CH2-CG1 4.08Å; W133-I137 HydrophobicContact CZ2-CD1 3.47Å; W133-I137 VanDerWaalsContact CZ2-CD1 3.47Å; W133-I137 HydrophobicContact CZ2-CG1 3.51Å; W133-I137 HydrophobicContact CZ3-CD1 4.34Å; W133-I137 HydrophobicContact CZ3-CG1 4.48Å; W133-I137 PolarHBondContact O-N 3.02Å; W133-L245 HydrophobicContact CH2-CB 4.38Å; W133-L245 HydrophobicContact CZ2-CB 4.18Å; W133-L245 WeakPolarHBondContact CZ2-O 3.34Å; W133-D246 PolarHBondContact NE1-OD1 3.01Å; W133-Y249 HydrophobicContact CB-CD2 4.06Å; W133-Y249 HydrophobicContact CB-CE1 4.22Å; W133-Y249 HydrophobicContact CB-CE2 3.62Å; W133-Y249 HydrophobicContact CB-CG 4.5Å; W133-Y249 AromaticContact CD1-CD2 3.72Å; W133-Y249 AromaticContact CD1-CG 3.63Å; W133-Y249 AromaticContact CD2-CD2 3.16Å; W133-Y249 HydrophobicContact CD2-CD2 3.16Å; W133-Y249 AromaticContact CD2-CE2 3.47Å; W133-Y249 HydrophobicContact CD2-CE2 3.47Å; W133-Y249 VanDerWaalsContact CD2-CE2 3.47Å; W133-Y249 AromaticContact CD2-CG 3.89Å; W133-Y249 HydrophobicContact CD2-CG 3.89Å; W133-Y249 AromaticContact CE2-CD2 3.41Å; W133-Y249 VanDerWaalsContact CE2-CD2 3.41Å; W133-Y249 AromaticContact CE2-CG 3.81Å; W133-Y249 AromaticContact CE3-CD2 3.6Å; W133-Y249 HydrophobicContact CE3-CD2 3.6Å; W133-Y249 AromaticContact CE3-CE2 3.65Å; W133-Y249 HydrophobicContact CE3-CE2 3.65Å; W133-Y249 HydrophobicContact CG-CD1 4.23Å; W133-Y249 AromaticContact CG-CD2 3.37Å; W133-Y249 HydrophobicContact CG-CD2 3.37Å; W133-Y249 HydrophobicContact CG-CE1 4.3Å; W133-Y249 AromaticContact CG-CE2 3.46Å; W133-Y249 HydrophobicContact CG-CE2 3.46Å; W133-Y249 VanDerWaalsContact CG-CE2 3.46Å; W133-Y249 AromaticContact CG-CG 3.76Å; W133-Y249 HydrophobicContact CG-CG 3.76Å; W133-Y249 AromaticContact CG-CZ 3.92Å; W133-Y249 HydrophobicContact CH2-CD2 4.33Å; W133-Y249 AromaticContact CZ2-CD2 4Å; W133-Y249 HydrophobicContact CZ2-CD2 4Å; W133-Y249 HydrophobicContact CZ3-CD2 4.16Å; W133-Y249 HydrophobicContact CZ3-CE2 4.46Å; W133-Y249 AromaticContact NE1-CD2 3.74Å; W133-Y249 AromaticContact NE1-CG 3.66Å
134	R	91.1	Very high	91.7	Very high	99 Å²	99	73.2 Å²	73.2	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-61	-43	-178.7	-84.2	-178.8	168	169.2	-6.2	113	R129 D130 C136 I137 K138	R129-R134 HydrophobicContact CG-CG 4.38Å; R129-R134 WeakPolarHBondContact O-CB 3.42Å; R129-R134 PolarHBondContact O-N 2.62Å; D130-R134 WeakPolarHBondContact OD1-CD 3.36Å; D130-R134 IonicContact OD1-CZ 2.7Å; D130-R134 IonicContact OD1-NE 3.62Å; D130-R134 IonicContact OD1-NH1 3.72Å; D130-R134 PolarHBondContact OD1-NH1 3.44Å; R134-C136 VanDerWaalsContact C-N 3.29Å; R134-C136 PolarHBondContact O-N 3.38Å; R134-I137 PolarHBondContact O-N 2.91Å; R134-K138 WeakPolarHBondContact O-CB 3.41Å; R134-K138 VanDerWaalsContact O-CG 3.26Å; R134-K138 WeakPolarHBondContact O-CG 3.35Å; R134-K138 PolarHBondContact O-N 2.91Å
135	P	94.2	Very high	91.6	Very high	57 Å²	57	74.5 Å²	74.5	37%	0.37	38%	0.378	S	S	.	.	H	α-helix	trans	-60.7	-38	172.9	-28.6	38.1	0	0	0	112.8	D130 R139	D130-P135 WeakPolarHBondContact O-CD 3.28Å; P135-R139 WeakPolarHBondContact O-CB 3.43Å; P135-R139 PolarHBondContact O-N 3.21Å
136	C	91.7	Very high	91.6	Very high	38 Å²	38	76.2 Å²	76.2	26%	0.257	39%	0.386	S	S	.	.	H	α-helix	trans	-63.5	-51.4	175.1	-168.9	0	0	0	0	111.6	F132 W133 R134 K138 R139 I140	F132-C136 WeakPolarHBondContact O-CB 3.34Å; F132-C136 PolarHBondContact O-N 2.85Å; W133-C136 WeakPolarHBondContact O-CA 3.42Å; W133-C136 VanDerWaalsContact O-CB 3.3Å; W133-C136 WeakPolarHBondContact O-CB 3.42Å; W133-C136 PolarHBondContact O-N 3.4Å; W133-C136 VanDerWaalsContact O-N 3.08Å; R134-C136 VanDerWaalsContact C-N 3.29Å; R134-C136 PolarHBondContact O-N 3.38Å; C136-K138 PolarHBondContact O-N 3.32Å; C136-R139 WeakPolarHBondContact O-CB 2.88Å; C136-R139 PolarHBondContact O-N 3.08Å; C136-I140 WeakPolarHBondContact O-CG1 3.37Å; C136-I140 PolarHBondContact O-N 2.73Å
137	I	91.5	Very high	91.5	Very high	20 Å²	20	78.8 Å²	78.8	10%	0.103	39%	0.392	C	S	.	.	H	α-helix	trans	-61.8	-43.6	179.1	-70.8	-62.5	0	0	0	111.9	W133 R134 R139 I140 A141 L242 D246	W133-I137 HydrophobicContact CD2-CG1 3.9Å; W133-I137 HydrophobicContact CE3-CG1 4.39Å; W133-I137 HydrophobicContact CG-CG1 4.44Å; W133-I137 HydrophobicContact CH2-CD1 3.71Å; W133-I137 HydrophobicContact CH2-CG1 4.08Å; W133-I137 HydrophobicContact CZ2-CD1 3.47Å; W133-I137 VanDerWaalsContact CZ2-CD1 3.47Å; W133-I137 HydrophobicContact CZ2-CG1 3.51Å; W133-I137 HydrophobicContact CZ3-CD1 4.34Å; W133-I137 HydrophobicContact CZ3-CG1 4.48Å; W133-I137 PolarHBondContact O-N 3.02Å; R134-I137 PolarHBondContact O-N 2.91Å; I137-R139 VanDerWaalsContact C-N 3.3Å; I137-R139 PolarHBondContact O-N 3.22Å; I137-I140 PolarHBondContact O-N 3.08Å; I137-A141 WeakPolarHBondContact O-CB 3.19Å; I137-A141 PolarHBondContact O-N 3.39Å; I137-L242 HydrophobicContact CD1-CD2 4.41Å; I137-D246 HydrophobicContact CG2-CB 4.46Å
138	K	92.5	Very high	91.4	Very high	150 Å²	150	76.8 Å²	76.8	65%	0.652	38%	0.384	S	S	*	.	H	α-helix	trans	-59.9	-41	175.8	-76.1	177.1	179.2	-178.5	0	111.9	R134 C136 A141 A142	R134-K138 WeakPolarHBondContact O-CB 3.41Å; R134-K138 VanDerWaalsContact O-CG 3.26Å; R134-K138 WeakPolarHBondContact O-CG 3.35Å; R134-K138 PolarHBondContact O-N 2.91Å; C136-K138 PolarHBondContact O-N 3.32Å; K138-A141 PolarHBondContact O-N 3.5Å; K138-A142 WeakPolarHBondContact O-CB 3.25Å; K138-A142 PolarHBondContact O-N 3.4Å
139	R	94.8	Very high	91.4	Very high	143 Å²	143	77.4 Å²	77.4	54%	0.54	39%	0.39	S	S	.	.	H	α-helix	trans	-64.8	-43.5	176.7	-177.3	175.8	62.1	-113.1	-1	111.7	P135 C136 I137 A142 N143	P135-R139 WeakPolarHBondContact O-CB 3.43Å; P135-R139 PolarHBondContact O-N 3.21Å; C136-R139 WeakPolarHBondContact O-CB 2.88Å; C136-R139 PolarHBondContact O-N 3.08Å; I137-R139 VanDerWaalsContact C-N 3.3Å; I137-R139 PolarHBondContact O-N 3.22Å; R139-A142 PolarHBondContact O-N 3.41Å; R139-N143 VanDerWaalsContact O-CG 3.25Å; R139-N143 PolarHBondContact O-N 2.72Å; R139-N143 PolarHBondContact O-OD1 3.22Å
140	I	92.5	Very high	91.4	Very high	71 Å²	71	78.8 Å²	78.8	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-64.3	-44.2	177.7	-64.6	165.5	0	0	0	110.6	C136 I137 A142 N143 L144 L242	C136-I140 WeakPolarHBondContact O-CG1 3.37Å; C136-I140 PolarHBondContact O-N 2.73Å; I137-I140 PolarHBondContact O-N 3.08Å; I140-A142 VanDerWaalsContact C-N 3.34Å; I140-A142 PolarHBondContact O-N 2.84Å; I140-N143 PolarHBondContact O-N 3.2Å; I140-L144 WeakPolarHBondContact O-CB 3.32Å; I140-L144 PolarHBondContact O-N 3.41Å; I140-L242 HydrophobicContact CB-CD2 4.44Å; I140-L242 HydrophobicContact CG2-CD1 4.07Å; I140-L242 HydrophobicContact CG2-CD2 3.68Å
141	A	91.6	Very high	91.2	Very high	41 Å²	41	76.7 Å²	76.7	34%	0.339	39%	0.393	S	S	.	.	H	α-helix	trans	-61.8	-41	176.5	0	0	0	0	0	112.2	I137 K138 L144 A145 L242	I137-A141 WeakPolarHBondContact O-CB 3.19Å; I137-A141 PolarHBondContact O-N 3.39Å; K138-A141 PolarHBondContact O-N 3.5Å; A141-L144 PolarHBondContact O-N 3.15Å; A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 2.87Å; A141-L242 HydrophobicContact CB-CD1 4.33Å
142	A	93.3	Very high	91	Very high	58 Å²	58	74.6 Å²	74.6	48%	0.479	38%	0.38	S	S	.	.	H	α-helix	trans	-64.8	-42.9	176.2	0	0	0	0	0	112.3	K138 R139 I140 L144 A145 Y146	K138-A142 WeakPolarHBondContact O-CB 3.25Å; K138-A142 PolarHBondContact O-N 3.4Å; R139-A142 PolarHBondContact O-N 3.41Å; I140-A142 VanDerWaalsContact C-N 3.34Å; I140-A142 PolarHBondContact O-N 2.84Å; A142-L144 VanDerWaalsContact C-N 3.35Å; A142-A145 PolarHBondContact O-N 2.89Å; A142-Y146 PolarHBondContact O-N 2.87Å
143	N	92	Very high	91	Very high	91 Å²	91	73.4 Å²	73.4	49%	0.487	38%	0.376	S	S	.	.	H	α-helix	trans	-62.3	-44.1	175.5	-70.1	-7.1	0	0	0	111.2	R139 I140 A145 Y146 D147	R139-N143 VanDerWaalsContact O-CG 3.25Å; R139-N143 PolarHBondContact O-N 2.72Å; R139-N143 PolarHBondContact O-OD1 3.22Å; I140-N143 PolarHBondContact O-N 3.2Å; N143-A145 PolarHBondContact O-N 2.97Å; N143-Y146 WeakPolarHBondContact O-CB 3.33Å; N143-Y146 PolarHBondContact O-N 3.48Å; N143-D147 VanDerWaalsContact O-CG 3.26Å; N143-D147 PolarHBondContact O-N 3.47Å
144	L	89.4	Confident	90.7	Very high	25 Å²	25	76.1 Å²	76.1	13%	0.131	39%	0.388	C	S	.	.	H	α-helix	trans	-60.1	-45.9	176.5	-177.1	134.5	0	0	0	111.4	I140 A141 A142 Y146 D147 L148 L238 E239 L242	I140-L144 WeakPolarHBondContact O-CB 3.32Å; I140-L144 PolarHBondContact O-N 3.41Å; A141-L144 PolarHBondContact O-N 3.15Å; A142-L144 VanDerWaalsContact C-N 3.35Å; L144-Y146 VanDerWaalsContact C-N 3.31Å; L144-Y146 PolarHBondContact O-N 2.91Å; L144-D147 PolarHBondContact O-N 3.21Å; L144-L148 HydrophobicContact CD2-CD1 3.53Å; L144-L148 HydrophobicContact CD2-CG 4.41Å; L144-L148 HydrophobicContact CG-CD1 4.15Å; L144-L148 WeakPolarHBondContact O-CB 3.46Å; L144-L148 WeakPolarHBondContact O-CG 3.44Å; L144-L148 PolarHBondContact O-N 2.82Å; L144-L238 HydrophobicContact CD1-CB 3.45Å; L144-L238 VanDerWaalsContact CD1-CB 3.45Å; L144-L238 HydrophobicContact CD1-CD1 3.74Å; L144-L238 HydrophobicContact CD1-CG 4.18Å; L144-E239 HydrophobicContact CD2-CG 3.73Å; L144-L242 HydrophobicContact CD1-CD1 4.4Å
145	A	89.8	Confident	90.4	Very high	47 Å²	47	73.2 Å²	73.2	39%	0.388	38%	0.379	S	S	.	.	H	α-helix	trans	-61.8	-38.2	176.6	0	0	0	0	0	112.8	A141 A142 N143 T149	A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 2.87Å; A142-A145 PolarHBondContact O-N 2.89Å; N143-A145 PolarHBondContact O-N 2.97Å; A145-T149 PolarHBondContact O-N 2.91Å; A145-T149 VanDerWaalsContact O-N 3.09Å; A145-T149 PolarHBondContact O-OG1 2.87Å
146	Y	92.4	Very high	89.9	Confident	146 Å²	146	73.4 Å²	73.4	57%	0.573	38%	0.377	S	S	*	.	H	α-helix	trans	-64.7	-52.5	175.3	179.1	-94.3	0	0	0	111.7	A142 N143 L144 L148 T149 E150	A142-Y146 PolarHBondContact O-N 2.87Å; N143-Y146 WeakPolarHBondContact O-CB 3.33Å; N143-Y146 PolarHBondContact O-N 3.48Å; L144-Y146 VanDerWaalsContact C-N 3.31Å; L144-Y146 PolarHBondContact O-N 2.91Å; Y146-L148 PolarHBondContact O-N 2.89Å; Y146-T149 WeakPolarHBondContact O-CB 3.39Å; Y146-T149 PolarHBondContact O-N 2.92Å; Y146-E150 PolarHBondContact O-N 3.5Å
147	D	89	Confident	89.4	Confident	83 Å²	83	77.5 Å²	77.5	44%	0.444	39%	0.393	S	S	.	.	H	α-helix	trans	-60.2	-34.9	-179.3	-67.5	-16.5	0	0	0	111.4	N143 L144 A151	N143-D147 VanDerWaalsContact O-CG 3.26Å; N143-D147 PolarHBondContact O-N 3.47Å; L144-D147 PolarHBondContact O-N 3.21Å; D147-A151 VanDerWaalsContact O-CB 3.29Å; D147-A151 WeakPolarHBondContact O-CB 3.33Å; D147-A151 PolarHBondContact O-N 2.84Å
148	L	88.9	Confident	88.6	Confident	30 Å²	30	79 Å²	79	16%	0.157	40%	0.401	C	S	.	.	H	α-helix	trans	-67.4	-42.4	173.9	-71.1	173.4	0	0	0	112.8	L144 Y146 E150 A151 E152 L231 A235	L144-L148 HydrophobicContact CD2-CD1 3.53Å; L144-L148 HydrophobicContact CD2-CG 4.41Å; L144-L148 HydrophobicContact CG-CD1 4.15Å; L144-L148 WeakPolarHBondContact O-CB 3.46Å; L144-L148 WeakPolarHBondContact O-CG 3.44Å; L144-L148 PolarHBondContact O-N 2.82Å; Y146-L148 PolarHBondContact O-N 2.89Å; L148-E150 VanDerWaalsContact C-N 3.35Å; L148-A151 PolarHBondContact O-N 3.47Å; L148-E152 WeakPolarHBondContact O-CB 3.24Å; L148-E152 WeakPolarHBondContact O-CG 3.36Å; L148-E152 PolarHBondContact O-N 2.77Å; L148-L231 HydrophobicContact CD2-CD1 4.06Å; L148-L231 HydrophobicContact CD2-CG 4.42Å; L148-A235 HydrophobicContact CD1-CB 3.39Å; L148-A235 HydrophobicContact CD2-CB 3.44Å; L148-A235 VanDerWaalsContact CD2-CB 3.44Å; L148-A235 HydrophobicContact CG-CB 4.03Å
149	T	90.1	Very high	87.7	Confident	76 Å²	76	74.8 Å²	74.8	47%	0.466	39%	0.385	S	S	.	.	H	α-helix	trans	-62.7	-45.9	177.4	-55.6	0	0	0	0	110.1	A145 Y146 A151 E152 E153	A145-T149 PolarHBondContact O-N 2.91Å; A145-T149 VanDerWaalsContact O-N 3.09Å; A145-T149 PolarHBondContact O-OG1 2.87Å; Y146-T149 WeakPolarHBondContact O-CB 3.39Å; Y146-T149 PolarHBondContact O-N 2.92Å; T149-A151 PolarHBondContact O-N 3.27Å; T149-E152 PolarHBondContact O-N 3Å; T149-E153 WeakPolarHBondContact O-CG 3.3Å; T149-E153 PolarHBondContact O-N 2.73Å
150	E	90	Very high	86.3	Confident	104 Å²	104	74.6 Å²	74.6	49%	0.486	39%	0.392	S	S	.	.	H	α-helix	trans	-59.8	-45.1	176.5	-173.6	176.4	-167.1	0	0	111.7	Y146 L148 E153 Y154	Y146-E150 PolarHBondContact O-N 3.5Å; L148-E150 VanDerWaalsContact C-N 3.35Å; E150-E153 PolarHBondContact O-N 2.82Å; E150-Y154 WeakPolarHBondContact O-CB 3.45Å; E150-Y154 PolarHBondContact O-N 2.73Å
151	A	88	Confident	84.6	Confident	34 Å²	34	74.4 Å²	74.4	28%	0.281	40%	0.397	S	S	.	.	H	α-helix	trans	-65.5	-38.9	177.7	0	0	0	0	0	112.8	D147 L148 T149 L155 L231	D147-A151 VanDerWaalsContact O-CB 3.29Å; D147-A151 WeakPolarHBondContact O-CB 3.33Å; D147-A151 PolarHBondContact O-N 2.84Å; L148-A151 PolarHBondContact O-N 3.47Å; T149-A151 PolarHBondContact O-N 3.27Å; A151-L155 WeakPolarHBondContact O-CB 3.34Å; A151-L155 PolarHBondContact O-N 2.75Å; A151-L231 HydrophobicContact CB-CD1 4.2Å; A151-L231 HydrophobicContact CB-CD2 3.71Å
152	E	87.8	Confident	82.8	Confident	60 Å²	60	74.7 Å²	74.7	28%	0.28	39%	0.392	S	S	.	.	H	α-helix	trans	-66.8	-42	175.6	-75.6	-163.3	161.2	0	0	112.3	L148 T149 L155 N156 L231 K232	L148-E152 WeakPolarHBondContact O-CB 3.24Å; L148-E152 WeakPolarHBondContact O-CG 3.36Å; L148-E152 PolarHBondContact O-N 2.77Å; T149-E152 PolarHBondContact O-N 3Å; E152-L155 PolarHBondContact O-N 3.24Å; E152-N156 WeakPolarHBondContact O-CB 2.95Å; E152-N156 PolarHBondContact O-N 3.2Å; E152-N156 PolarHBondContact O-ND2 2.87Å; E152-N156 VanDerWaalsContact O-ND2 3.11Å; E152-L231 HydrophobicContact CG-CD2 4.05Å; E152-K232 WeakPolarHBondContact OE1-CE 3.27Å; E152-K232 IonicContact OE1-NZ 3.86Å
153	E	88.1	Confident	80.9	Confident	110 Å²	110	79.8 Å²	79.8	51%	0.514	41%	0.406	S	S	.	.	H	α-helix	trans	-60.6	-46.2	175.2	-75.6	-176.6	-178.3	0	0	111.4	T149 E150 L155 N156 Q157	T149-E153 WeakPolarHBondContact O-CG 3.3Å; T149-E153 PolarHBondContact O-N 2.73Å; E150-E153 PolarHBondContact O-N 2.82Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 PolarHBondContact O-N 3.25Å; E153-N156 PolarHBondContact O-N 2.98Å; E153-Q157 WeakPolarHBondContact O-CG 2.98Å; E153-Q157 PolarHBondContact O-N 2.86Å
154	Y	85.3	Confident	78.8	Confident	116 Å²	116	82.5 Å²	82.5	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-59.4	-41.1	176	-174.5	-98	0	0	0	112.1	E150 N158 L173	E150-Y154 WeakPolarHBondContact O-CB 3.45Å; E150-Y154 PolarHBondContact O-N 2.73Å; Y154-N158 WeakPolarHBondContact CD1-ND2 3.33Å; Y154-N158 WeakPolarHBondContact CE1-ND2 3.49Å; Y154-N158 PolarHBondContact O-N 2.92Å; Y154-N158 PolarHBondContact O-ND2 3.2Å; Y154-L173 HydrophobicContact CE1-CD2 4.07Å
155	L	84.5	Confident	76.4	Confident	37 Å²	37	84.1 Å²	84.1	19%	0.194	44%	0.443	C	S	.	.	H	α-helix	trans	-67.9	-39.4	178	-143.3	109.9	0	0	0	112	A151 E152 E153 N158 L159 P224 A227 K228	A151-L155 WeakPolarHBondContact O-CB 3.34Å; A151-L155 PolarHBondContact O-N 2.75Å; E152-L155 PolarHBondContact O-N 3.24Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 PolarHBondContact O-N 3.25Å; L155-N158 PolarHBondContact O-N 2.99Å; L155-L159 HydrophobicContact CD2-CD1 4.49Å; L155-L159 WeakPolarHBondContact O-CG 3.5Å; L155-L159 PolarHBondContact O-N 3.19Å; L155-L159 VanDerWaalsContact O-N 3.1Å; L155-P224 WeakPolarHBondContact CD2-O 3.31Å; L155-A227 HydrophobicContact CD1-CB 4.15Å; L155-A227 HydrophobicContact CD2-CB 4.46Å; L155-K228 HydrophobicContact CD2-CB 3.67Å; L155-K228 HydrophobicContact CD2-CG 4.31Å
156	N	83.7	Confident	74.2	Confident	61 Å²	61	87.5 Å²	87.5	33%	0.326	46%	0.455	S	S	.	.	H	α-helix	trans	-68.5	-39	178.1	-66.6	-31.8	0	0	0	111.8	E152 E153 N158 L159 M160 K228	E152-N156 WeakPolarHBondContact O-CB 2.95Å; E152-N156 PolarHBondContact O-N 3.2Å; E152-N156 PolarHBondContact O-ND2 2.87Å; E152-N156 VanDerWaalsContact O-ND2 3.11Å; E153-N156 PolarHBondContact O-N 2.98Å; N156-N158 PolarHBondContact O-N 3.3Å; N156-L159 WeakPolarHBondContact O-CB 3.2Å; N156-L159 PolarHBondContact O-N 3.39Å; N156-M160 WeakPolarHBondContact O-CG 3.42Å; N156-M160 PolarHBondContact O-N 3.33Å; N156-K228 PolarHBondContact OD1-NZ 3.08Å
157	Q	81.7	Confident	71.7	Confident	125 Å²	125	91.2 Å²	91.2	58%	0.584	47%	0.474	S	S	*	.	H	α-helix	trans	-61.5	-43.3	175.3	-72.7	176.4	17.6	0	0	111.7	E153 L159 M160 S161	E153-Q157 WeakPolarHBondContact O-CG 2.98Å; E153-Q157 PolarHBondContact O-N 2.86Å; Q157-L159 VanDerWaalsContact C-N 3.29Å; Q157-L159 PolarHBondContact O-N 3.23Å; Q157-M160 PolarHBondContact O-N 3.44Å; Q157-S161 PolarHBondContact O-N 3.41Å; Q157-S161 PolarHBondContact O-OG 3.11Å
158	N	75.6	Confident	69.5	Low	52 Å²	52	90.8 Å²	90.8	28%	0.278	48%	0.478	S	S	.	.	H	α-helix	trans	-69.2	-24.6	176.8	-75.5	-55	0	0	0	114	Y154 L155 N156 S161 N162	Y154-N158 WeakPolarHBondContact CD1-ND2 3.33Å; Y154-N158 WeakPolarHBondContact CE1-ND2 3.49Å; Y154-N158 PolarHBondContact O-N 2.92Å; Y154-N158 PolarHBondContact O-ND2 3.2Å; L155-N158 PolarHBondContact O-N 2.99Å; N156-N158 PolarHBondContact O-N 3.3Å; N158-S161 WeakPolarHBondContact CA-OG 3.26Å; N158-S161 PolarHBondContact O-OG 3.04Å; N158-N162 PolarHBondContact O-N 3.15Å; N158-N162 PolarHBondContact O-ND2 3.06Å
159	L	72.7	Confident	67.2	Low	61 Å²	61	95.4 Å²	95.4	32%	0.319	50%	0.503	S	S	.	.	H	α-helix	trans	-74.1	-44.6	172.8	-89.1	169.7	0	0	0	111.8	L155 N156 Q157 N162 H163 P224	L155-L159 HydrophobicContact CD2-CD1 4.49Å; L155-L159 WeakPolarHBondContact O-CG 3.5Å; L155-L159 PolarHBondContact O-N 3.19Å; L155-L159 VanDerWaalsContact O-N 3.1Å; N156-L159 WeakPolarHBondContact O-CB 3.2Å; N156-L159 PolarHBondContact O-N 3.39Å; Q157-L159 VanDerWaalsContact C-N 3.29Å; Q157-L159 PolarHBondContact O-N 3.23Å; L159-N162 PolarHBondContact O-N 2.76Å; L159-H163 PolarHBondContact O-N 3.32Å; L159-P224 HydrophobicContact CD1-CB 4.16Å; L159-P224 HydrophobicContact CD2-CB 3.26Å; L159-P224 HydrophobicContact CD2-CG 3.73Å; L159-P224 HydrophobicContact CG-CB 3.78Å
160	M	65	Low	64.8	Low	139 Å²	139	96.4 Å²	96.4	69%	0.685	50%	0.5	S	S	*	.	H	α-helix	trans	-64.8	-41	177	-69.5	-84.2	94.9	0	0	111.7	N156 Q157 N162 H163	N156-M160 WeakPolarHBondContact O-CG 3.42Å; N156-M160 PolarHBondContact O-N 3.33Å; Q157-M160 PolarHBondContact O-N 3.44Å; M160-N162 PolarHBondContact O-N 3.44Å; M160-H163 PolarHBondContact O-N 2.94Å
161	S	57.7	Low	62.3	Low	66 Å²	66	102.6 Å²	102.6	46%	0.462	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-36.9	178.9	66	0	0	0	0	113.1	Q157 N158 H163 N164	Q157-S161 PolarHBondContact O-N 3.41Å; Q157-S161 PolarHBondContact O-OG 3.11Å; N158-S161 WeakPolarHBondContact CA-OG 3.26Å; N158-S161 PolarHBondContact O-OG 3.04Å; S161-H163 VanDerWaalsContact C-N 3.33Å; S161-H163 PolarHBondContact O-N 3.07Å; S161-N164 PolarHBondContact O-N 3.38Å
162	N	54.1	Low	59.9	Low	47 Å²	47	109.6 Å²	109.6	25%	0.251	54%	0.544	S	S	.	.	H	α-helix	trans	-72.3	-22.6	179.6	-88.1	-54.2	0	0	0	114	N158 L159 M160 N164 F170	N158-N162 PolarHBondContact O-N 3.15Å; N158-N162 PolarHBondContact O-ND2 3.06Å; L159-N162 PolarHBondContact O-N 2.76Å; M160-N162 PolarHBondContact O-N 3.44Å; N162-N164 PolarHBondContact O-N 3.35Å; N162-F170 WeakPolarHBondContact ND2-CE2 3.34Å
163	H	53.5	Low	57.4	Low	166 Å²	166	111 Å²	111	77%	0.769	55%	0.553	S	S	*	*	H	α-helix	trans	-70.2	-25.3	174.5	-124.1	-62.6	0	0	0	112	L159 M160 S161 G165	L159-H163 PolarHBondContact O-N 3.32Å; M160-H163 PolarHBondContact O-N 2.94Å; S161-H163 VanDerWaalsContact C-N 3.33Å; S161-H163 PolarHBondContact O-N 3.07Å; H163-G165 PolarHBondContact O-N 3.14Å
164	N	47.3	Very low	54.8	Low	148 Å²	148	112.6 Å²	112.6	79%	0.791	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	72.4	165.2	-85.1	-5.8	0	0	0	110.1	S161 N162 N166	S161-N164 PolarHBondContact O-N 3.38Å; N162-N164 PolarHBondContact O-N 3.35Å; N164-N166 PolarHBondContact O-N 2.96Å
165	G	39.1	Very low	52.4	Low	59 Å²	59	114 Å²	114	61%	0.608	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	33.3	83.5	159.5	0	0	0	0	0	117.5	H163	H163-G165 PolarHBondContact O-N 3.14Å
166	N	42.7	Very low	49.8	Very low	118 Å²	118	114.2 Å²	114.2	63%	0.631	58%	0.584	S	S	*	*			trans	-173.5	103.4	145.6	-95.7	-27.2	0	0	0	110.5	N164 S168	N164-N166 PolarHBondContact O-N 2.96Å; N166-S168 PolarHBondContact O-N 2.83Å
167	K	40.5	Very low	47.2	Very low	223 Å²	223	114.2 Å²	114.2	97%	0.97	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	16	-176.6	-98.6	-179.1	177.5	176.9	0	115.7
168	S	43.2	Very low	44.7	Very low	75 Å²	75	113.4 Å²	113.4	52%	0.524	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.3	-10.3	-167.5	50.1	0	0	0	0	116.4	N166	N166-S168 PolarHBondContact O-N 2.83Å
169	N	41.5	Very low	42.6	Very low	127 Å²	127	116.1 Å²	116.1	68%	0.679	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-93.8	1.4	-165.5	-73.9	-17.2	0	0	0	117.1	R171	N169-R171 VanDerWaalsContact C-N 3.31Å; N169-R171 PolarHBondContact O-N 3.23Å
170	F	38.5	Very low	40.4	Very low	96 Å²	96	121 Å²	121	42%	0.421	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-80.9	-1.4	-177.8	-116	-85.8	0	0	0	115.5	N162 P224	N162-F170 WeakPolarHBondContact ND2-CE2 3.34Å; F170-P224 HydrophobicContact CE2-CG 3.9Å; F170-P224 HydrophobicContact CZ-CB 4.47Å; F170-P224 HydrophobicContact CZ-CG 3.83Å
171	R	38	Very low	38.5	Very low	234 Å²	234	122.8 Å²	122.8	88%	0.883	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-80.9	-15.3	-170.4	-82.8	-174.1	178	133.1	-1	116.4	N169	N169-R171 VanDerWaalsContact C-N 3.31Å; N169-R171 PolarHBondContact O-N 3.23Å
172	K	36.6	Very low	37.1	Very low	182 Å²	182	124.4 Å²	124.4	79%	0.791	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-94.2	-8.2	-170.9	-95.9	-173.6	175.4	-176	0	116.7	S176	K172-S176 PolarHBondContact O-OG 2.7Å
173	L	36.7	Very low	35.7	Very low	90 Å²	90	129.8 Å²	129.8	47%	0.471	70%	0.698	S	S	.	*	H	α-helix	trans	-93	-21	-160.6	-148.6	73	0	0	0	116.3	Y154	Y154-L173 HydrophobicContact CE1-CD2 4.07Å
174	V	33	Very low	34.5	Very low	142 Å²	142	130.2 Å²	130.2	86%	0.861	70%	0.698	S	S	*	*	H	α-helix	trans	-80.8	-20	-179.7	-177	0	0	0	0	112.1
175	E	34.1	Very low	33.5	Very low	146 Å²	146	129 Å²	129	68%	0.682	70%	0.698	S	S	*	*	H	α-helix	trans	-92.7	-23.8	-179.7	-79.4	168.3	-168.5	0	0	113.5	K219	E175-K219 IonicContact OE1-NZ 3.63Å
176	S	30	Very low	32.7	Very low	41 Å²	41	134 Å²	134	29%	0.287	71%	0.711	S	S	.	*	H	α-helix	trans	-86	-10.7	-179.7	57.8	0	0	0	0	114.8	K172 S178 T179	K172-S176 PolarHBondContact O-OG 2.7Å; S176-S178 PolarHBondContact O-N 3.46Å; S176-S178 VanDerWaalsContact O-N 3.09Å; S176-T179 PolarHBondContact O-N 2.81Å
177	G	28.9	Very low	32	Very low	62 Å²	62	136.1 Å²	136.1	64%	0.639	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-13.2	175.2	0	0	0	0	0	114.3
178	S	31.1	Very low	31.3	Very low	107 Å²	107	132.4 Å²	132.4	75%	0.748	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-3.8	-179.5	-53.6	0	0	0	0	114.3	S176	S176-S178 PolarHBondContact O-N 3.46Å; S176-S178 VanDerWaalsContact O-N 3.09Å
179	T	29.9	Very low	30.5	Very low	109 Å²	109	135.8 Å²	135.8	67%	0.669	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135	-4.1	-170.3	47.9	0	0	0	0	117.9	S176	S176-T179 PolarHBondContact O-N 2.81Å
180	E	26.7	Very low	29.9	Very low	163 Å²	163	137.9 Å²	137.9	76%	0.762	73%	0.729	S	S	*	*			trans	-108.4	2.8	-175.3	-77.4	-174.3	169.7	0	0	117.1	S182	E180-S182 PolarHBondContact O-N 2.9Å
181	L	26.4	Very low	29.2	Very low	177 Å²	177	140.6 Å²	140.6	93%	0.927	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	65.5	164.3	-87.4	128.6	0	0	0	110.9
182	S	27.6	Very low	28.7	Very low	100 Å²	100	137 Å²	137	70%	0.699	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	-3.8	172.1	-175.2	0	0	0	0	114.5	E180	E180-S182 PolarHBondContact O-N 2.9Å
183	N	25.3	Very low	28.1	Very low	160 Å²	160	131.7 Å²	131.7	86%	0.856	74%	0.742	S	S	*	*			trans	-126.4	70.3	-177.5	-75	-21	0	0	0	112.2
184	K	27.2	Very low	27.5	Very low	175 Å²	175	133.8 Å²	133.8	76%	0.761	76%	0.759	S	S	*	*	S	Bend	trans	-125.3	140.2	152.5	-98.9	-178.9	179.5	171.9	0	108.8
185	P	25.5	Very low	27.1	Very low	122 Å²	122	133.4 Å²	133.4	79%	0.792	76%	0.757	S	S	*	*			trans	-69.9	141.8	-163.8	26.8	-32.5	0	0	0	112.4	L187	P185-L187 PolarHBondContact O-N 2.8Å
186	N	23.4	Very low	26.5	Very low	166 Å²	166	131.2 Å²	131.2	89%	0.888	76%	0.758	S	S	*	*			trans	-46.2	104.2	173.3	-73	-37.3	0	0	0	111.8
187	L	28.5	Very low	26.3	Very low	162 Å²	162	134.7 Å²	134.7	85%	0.848	78%	0.779	S	S	*	*			trans	-112.8	90.7	165	-151.7	76.3	0	0	0	109.8	P185	P185-L187 PolarHBondContact O-N 2.8Å
188	I	26.2	Very low	26	Very low	145 Å²	145	140.8 Å²	140.8	74%	0.744	79%	0.791	S	S	*	*			trans	37.8	96.2	148.4	-52	176.4	0	0	0	115.8	Q190	I188-Q190 PolarHBondContact O-N 3.03Å
189	N	24.6	Very low	25.7	Very low	146 Å²	146	141.4 Å²	141.4	78%	0.781	79%	0.79	S	S	*	*			trans	-32.3	108.2	156.6	-143	0.3	0	0	0	113.2
190	Q	29.2	Very low	25.3	Very low	170 Å²	170	144.1 Å²	144.1	79%	0.794	80%	0.801	S	S	*	*			trans	-108	111.7	156.6	-75.8	-170.4	-5.9	0	0	107.7	I188 L192	I188-Q190 PolarHBondContact O-N 3.03Å; Q190-L192 PolarHBondContact O-N 3.14Å
191	N	25.1	Very low	25.2	Very low	153 Å²	153	141.8 Å²	141.8	82%	0.818	80%	0.803	S	S	*	*			trans	-51.3	99.5	177.2	-74.5	-37.6	0	0	0	111.3
192	L	27.2	Very low	25	Very low	158 Å²	158	139 Å²	139	83%	0.827	80%	0.797	S	S	*	*			trans	-96	108.9	157.7	-101.1	79.8	0	0	0	107.7	Q190 T194	Q190-L192 PolarHBondContact O-N 3.14Å; L192-T194 PolarHBondContact O-N 3.08Å
193	G	24.4	Very low	24.9	Very low	71 Å²	71	141.1 Å²	141.1	73%	0.732	81%	0.806	S	S	*	*			trans	-58.8	124.1	175.6	0	0	0	0	0	111.1	V195	G193-V195 PolarHBondContact O-N 2.91Å
194	T	23.5	Very low	24.6	Very low	134 Å²	134	140.7 Å²	140.7	82%	0.822	80%	0.804	S	S	*	*			trans	-65	109.9	174	42.9	0	0	0	0	110.4	L192	L192-T194 PolarHBondContact O-N 3.08Å
195	V	23.4	Very low	24.6	Very low	135 Å²	135	141.8 Å²	141.8	82%	0.818	81%	0.809	S	S	*	*			trans	-97.1	105.6	164.3	178.7	0	0	0	0	107.3	G193	G193-V195 PolarHBondContact O-N 2.91Å
196	S	23.3	Very low	24.4	Very low	100 Å²	100	144.4 Å²	144.4	70%	0.699	81%	0.81	S	S	*	*			trans	-74.9	125.5	175.4	-57.4	0	0	0	0	110.4	Q198	S196-Q198 PolarHBondContact O-N 2.95Å
197	P	25.5	Very low	24.3	Very low	113 Å²	113	141.3 Å²	141.3	73%	0.734	80%	0.801	S	S	*	*			trans	-77.8	117.6	171.4	-2.9	20.1	0	0	0	109.4	T199	P197-T199 PolarHBondContact O-N 3.44Å
198	Q	22.1	Very low	24	Very low	191 Å²	191	141.1 Å²	141.1	89%	0.893	80%	0.796	S	S	*	*			trans	-75.8	99.9	164.6	-73.6	-178.4	-10.1	0	0	108.6	S196	S196-Q198 PolarHBondContact O-N 2.95Å
199	T	25	Very low	23.8	Very low	120 Å²	120	142.1 Å²	142.1	74%	0.736	80%	0.797	S	S	*	*			trans	-107.8	108.8	166.2	54.1	0	0	0	0	109.4	P197 S201	P197-T199 PolarHBondContact O-N 3.44Å; T199-S201 PolarHBondContact O-N 3.37Å
200	N	21.5	Very low	23.7	Very low	165 Å²	165	144.1 Å²	144.1	88%	0.882	80%	0.799	S	S	*	*			trans	-63.5	109.4	170.4	-73.4	-32	0	0	0	110
201	S	23.7	Very low	23.3	Very low	115 Å²	115	140.2 Å²	140.2	80%	0.804	79%	0.791	S	S	*	*			trans	-108.3	108.2	164.2	58.8	0	0	0	0	109.1	T199	T199-S201 PolarHBondContact O-N 3.37Å
202	S	22.2	Very low	23.1	Very low	117 Å²	117	138.7 Å²	138.7	82%	0.818	79%	0.792	S	S	*	*			trans	-122	92.6	168.9	-68.4	0	0	0	0	108.4
203	V	25.5	Very low	23	Very low	145 Å²	145	136.7 Å²	136.7	88%	0.879	79%	0.792	S	S	*	*			trans	-139	93	156.6	-177.1	0	0	0	0	107.6
204	N	20.7	Very low	23	Very low	152 Å²	152	141.6 Å²	141.6	81%	0.813	80%	0.795	S	S	*	*			trans	-79.1	132.8	161.4	-93.4	-22.1	0	0	0	109
205	K	25.9	Very low	23	Very low	198 Å²	198	144.1 Å²	144.1	86%	0.861	80%	0.795	S	S	*	*			trans	-175.8	89.5	149.4	-102.6	169.5	-174.6	-174.9	0	106.5
206	H	20.7	Very low	23.2	Very low	176 Å²	176	145.6 Å²	145.6	82%	0.815	79%	0.791	S	S	*	*				56	135.8	94.4	-95.2	-61.3	0	0	0	115.9
207	S	22.4	Very low	23.6	Very low	101 Å²	101	147.2 Å²	147.2	71%	0.706	79%	0.787	S	S	*	*			trans	80.5	134.6	162.9	66.6	0	0	0	0	116.4
208	E	22	Very low	24	Very low	159 Å²	159	148.6 Å²	148.6	74%	0.743	79%	0.789	S	S	*	*			cis	-177.5	147.9	-9.5	-117.4	164.7	-168.1	0	0	105.5
209	Q	22	Very low	24.6	Very low	165 Å²	165	146.2 Å²	146.2	77%	0.771	78%	0.775	S	S	*	*			trans	55.3	112.9	146.7	-62	177.3	-0.1	0	0	121.4
210	K	22.8	Very low	25.5	Very low	188 Å²	188	145.5 Å²	145.5	82%	0.817	78%	0.775	S	S	*	*				170.6	108.7	106.9	-101.6	177.3	175.3	173.8	0	111.1
211	S	20.6	Very low	26.7	Very low	88 Å²	88	142.6 Å²	142.6	62%	0.615	77%	0.768	S	S	*	*				57.6	99	114.2	76.8	0	0	0	0	116.4
212	S	20.3	Very low	28.3	Very low	121 Å²	121	140.8 Å²	140.8	85%	0.846	75%	0.749	S	S	*	*				34.2	93.8	125.4	58.3	0	0	0	0	116.8
213	S	25.5	Very low	30.5	Very low	117 Å²	117	137.5 Å²	137.5	82%	0.818	73%	0.726	S	S	*	*			trans	-132.7	135.6	150.4	51.9	0	0	0	0	109	F215	S213-F215 PolarHBondContact O-N 3.47Å
214	E	23.9	Very low	32.5	Very low	174 Å²	174	132.3 Å²	132.3	81%	0.813	70%	0.695	S	S	*	*			trans	-48.4	114.4	-171.5	-64.2	159.3	150.1	0	0	111.6	K216	E214-K216 PolarHBondContact O-N 2.89Å
215	F	24.7	Very low	35.1	Very low	187 Å²	187	128.9 Å²	128.9	82%	0.82	68%	0.683	S	S	*	*			trans	-70.7	83.6	170.8	-166.2	-96.9	0	0	0	108	S213 Q217	S213-F215 PolarHBondContact O-N 3.47Å; F215-Q217 HydrophobicContact CD1-CG 4.31Å; F215-Q217 HydrophobicContact CE1-CG 4.21Å; F215-Q217 PolarHBondContact O-N 3.12Å
216	K	26.6	Very low	37.8	Very low	166 Å²	166	122.1 Å²	122.1	72%	0.722	66%	0.658	S	S	*	*			trans	-59	107.3	164.9	-77.9	-175.3	177.8	178.1	0	106.7	E214 D218	E214-K216 PolarHBondContact O-N 2.89Å; K216-D218 PolarHBondContact O-N 2.9Å
217	Q	32.7	Very low	40.7	Very low	133 Å²	133	114.8 Å²	114.8	62%	0.621	63%	0.628	S	S	*	*			trans	-69.4	74.1	177.4	-129.9	-178.4	17.4	0	0	108	F215 K219	F215-Q217 HydrophobicContact CD1-CG 4.31Å; F215-Q217 HydrophobicContact CE1-CG 4.21Å; F215-Q217 PolarHBondContact O-N 3.12Å; Q217-K219 HydrophobicContact CG-CG 4.24Å; Q217-K219 PolarHBondContact O-N 2.81Å
218	D	32.3	Very low	43.7	Very low	143 Å²	143	112.9 Å²	112.9	77%	0.765	61%	0.607	S	S	*	*			trans	-69.8	75.8	165	-78.7	-21.5	0	0	0	106.9	K216 S220	K216-D218 PolarHBondContact O-N 2.9Å; D218-S220 PolarHBondContact O-N 2.91Å
219	K	36.5	Very low	46.7	Very low	140 Å²	140	109.1 Å²	109.1	61%	0.609	60%	0.595	S	S	*	*			trans	-67.4	68.6	164.1	-71.2	-170.2	178.9	-172.7	0	106.7	E175 Q217 S221	E175-K219 IonicContact OE1-NZ 3.63Å; Q217-K219 HydrophobicContact CG-CG 4.24Å; Q217-K219 PolarHBondContact O-N 2.81Å; K219-S221 PolarHBondContact O-N 3.26Å
220	S	43.3	Very low	49.8	Very low	106 Å²	106	106.3 Å²	106.3	74%	0.741	58%	0.582	S	S	*	*			trans	-56.3	108.5	167.9	53.2	0	0	0	0	106.3	D218 L222	D218-S220 PolarHBondContact O-N 2.91Å; S220-L222 PolarHBondContact O-N 2.82Å
221	S	47.3	Very low	52.9	Low	104 Å²	104	99.5 Å²	99.5	73%	0.727	55%	0.554	S	S	*	*			trans	-55.5	109.7	176.7	51.8	0	0	0	0	107.4	K219 S223	K219-S221 PolarHBondContact O-N 3.26Å; S221-S223 PolarHBondContact O-N 2.82Å
222	L	56.6	Low	56.1	Low	76 Å²	76	100.3 Å²	100.3	40%	0.398	55%	0.547	S	S	.	.			trans	-57.5	115.6	179.1	-164.3	74.7	0	0	0	107.2	S220 T226 A227 Q230	S220-L222 PolarHBondContact O-N 2.82Å; L222-T226 HydrophobicContact CD1-CG2 3.48Å; L222-T226 VanDerWaalsContact CD1-CG2 3.48Å; L222-T226 HydrophobicContact CG-CG2 4.02Å; L222-A227 HydrophobicContact CD2-CB 3.91Å; L222-Q230 VanDerWaalsContact CD2-OE1 3.23Å
223	S	68.5	Low	59.4	Low	48 Å²	48	99.3 Å²	99.3	34%	0.336	53%	0.532	S	S	.	.			trans	-59.7	143	-179.6	78	0	0	0	0	108.6	S221 S225 T226 A227	S221-S223 PolarHBondContact O-N 2.82Å; S223-S225 PolarHBondContact O-N 2.86Å; S223-S225 PolarHBondContact OG-OG 2.88Å; S223-T226 WeakPolarHBondContact O-CA 3.22Å; S223-T226 WeakPolarHBondContact O-CB 3.47Å; S223-T226 PolarHBondContact O-N 2.85Å; S223-T226 PolarHBondContact OG-N 2.67Å; S223-T226 PolarHBondContact OG-OG1 3.21Å; S223-A227 PolarHBondContact O-N 2.67Å; S223-A227 VanDerWaalsContact O-N 3.08Å
224	P	67.4	Low	62.5	Low	36 Å²	36	96.2 Å²	96.2	23%	0.234	51%	0.513	C	S	.	.	H	α-helix	trans	-54	-30.4	-179.8	-29.3	35.1	0	0	0	113.8	L155 L159 F170 A227 K228	L155-P224 WeakPolarHBondContact CD2-O 3.31Å; L159-P224 HydrophobicContact CD1-CB 4.16Å; L159-P224 HydrophobicContact CD2-CB 3.26Å; L159-P224 HydrophobicContact CD2-CG 3.73Å; L159-P224 HydrophobicContact CG-CB 3.78Å; F170-P224 HydrophobicContact CE2-CG 3.9Å; F170-P224 HydrophobicContact CZ-CB 4.47Å; F170-P224 HydrophobicContact CZ-CG 3.83Å; P224-A227 PolarHBondContact O-N 3.48Å; P224-K228 PolarHBondContact O-N 3.12Å; P224-K228 VanDerWaalsContact O-N 3.1Å
225	S	74.8	Confident	65.5	Low	80 Å²	80	88.4 Å²	88.4	56%	0.559	48%	0.478	S	S	*	.	H	α-helix	trans	-66.4	-40.5	173.9	55.6	0	0	0	0	112	S223 K228 V229	S223-S225 PolarHBondContact O-N 2.86Å; S223-S225 PolarHBondContact OG-OG 2.88Å; S225-K228 PolarHBondContact O-N 3.38Å; S225-V229 WeakPolarHBondContact O-CG2 3.48Å; S225-V229 PolarHBondContact O-N 2.88Å; S225-V229 VanDerWaalsContact O-N 3.1Å
226	T	82.5	Confident	68.6	Low	56 Å²	56	87 Å²	87	34%	0.344	47%	0.468	S	S	.	.	H	α-helix	trans	-65.1	-40.9	174.6	-45.8	0	0	0	0	111.7	L222 S223 K228 V229 Q230	L222-T226 HydrophobicContact CD1-CG2 3.48Å; L222-T226 VanDerWaalsContact CD1-CG2 3.48Å; L222-T226 HydrophobicContact CG-CG2 4.02Å; S223-T226 WeakPolarHBondContact O-CA 3.22Å; S223-T226 WeakPolarHBondContact O-CB 3.47Å; S223-T226 PolarHBondContact O-N 2.85Å; S223-T226 PolarHBondContact OG-N 2.67Å; S223-T226 PolarHBondContact OG-OG1 3.21Å; T226-K228 VanDerWaalsContact C-N 3.35Å; T226-K228 PolarHBondContact O-N 2.94Å; T226-V229 PolarHBondContact O-N 3.07Å; T226-Q230 WeakPolarHBondContact O-CG 3.5Å; T226-Q230 PolarHBondContact O-N 3.15Å
227	A	82.9	Confident	71.7	Confident	23 Å²	23	82.5 Å²	82.5	19%	0.19	46%	0.456	C	S	.	.	H	α-helix	trans	-60.9	-42.8	176.5	0	0	0	0	0	111.9	L155 L222 S223 P224 V229 Q230 L231	L155-A227 HydrophobicContact CD1-CB 4.15Å; L155-A227 HydrophobicContact CD2-CB 4.46Å; L222-A227 HydrophobicContact CD2-CB 3.91Å; S223-A227 PolarHBondContact O-N 2.67Å; S223-A227 VanDerWaalsContact O-N 3.08Å; P224-A227 PolarHBondContact O-N 3.48Å; A227-V229 PolarHBondContact O-N 2.84Å; A227-Q230 PolarHBondContact O-N 2.86Å; A227-L231 WeakPolarHBondContact O-CB 3.47Å; A227-L231 PolarHBondContact O-N 3.22Å
228	K	83.7	Confident	74.5	Confident	60 Å²	60	80.6 Å²	80.6	26%	0.261	45%	0.45	S	S	.	.	H	α-helix	trans	-62.1	-42	175.4	-167	166.7	-174.8	162.3	0	112.4	L155 N156 P224 S225 T226 K232	L155-K228 HydrophobicContact CD2-CB 3.67Å; L155-K228 HydrophobicContact CD2-CG 4.31Å; N156-K228 PolarHBondContact OD1-NZ 3.08Å; P224-K228 PolarHBondContact O-N 3.12Å; P224-K228 VanDerWaalsContact O-N 3.1Å; S225-K228 PolarHBondContact O-N 3.38Å; T226-K228 VanDerWaalsContact C-N 3.35Å; T226-K228 PolarHBondContact O-N 2.94Å; K228-K232 WeakPolarHBondContact O-CG 3.41Å; K228-K232 PolarHBondContact O-N 3.43Å
229	V	86	Confident	77.3	Confident	80 Å²	80	78.3 Å²	78.3	49%	0.485	44%	0.435	S	S	.	.	H	α-helix	trans	-64.5	-43.1	176.8	171.5	0	0	0	0	110.9	S225 T226 A227 K232 N233	S225-V229 WeakPolarHBondContact O-CG2 3.48Å; S225-V229 PolarHBondContact O-N 2.88Å; S225-V229 VanDerWaalsContact O-N 3.1Å; T226-V229 PolarHBondContact O-N 3.07Å; A227-V229 PolarHBondContact O-N 2.84Å; V229-K232 PolarHBondContact O-N 2.53Å; V229-N233 WeakPolarHBondContact O-CB 3.34Å; V229-N233 PolarHBondContact O-N 3.32Å; V229-N233 PolarHBondContact O-ND2 2.92Å
230	Q	87.9	Confident	79.9	Confident	107 Å²	107	76 Å²	76	50%	0.5	43%	0.426	S	S	.	.	H	α-helix	trans	-63.9	-44.1	177.3	-74	179.7	-9.8	0	0	112.3	L222 T226 A227 K232 N233 A234	L222-Q230 VanDerWaalsContact CD2-OE1 3.23Å; T226-Q230 WeakPolarHBondContact O-CG 3.5Å; T226-Q230 PolarHBondContact O-N 3.15Å; A227-Q230 PolarHBondContact O-N 2.86Å; Q230-K232 PolarHBondContact O-N 3.13Å; Q230-N233 PolarHBondContact O-N 3.21Å; Q230-A234 WeakPolarHBondContact O-CB 3.36Å; Q230-A234 PolarHBondContact O-N 3.01Å
231	L	88	Confident	82.2	Confident	45 Å²	45	73.5 Å²	73.5	24%	0.236	41%	0.409	C	S	.	.	H	α-helix	trans	-58.1	-47.5	175.8	-180	63.6	0	0	0	111.2	L148 A151 E152 A227 N233 A234 A235	L148-L231 HydrophobicContact CD2-CD1 4.06Å; L148-L231 HydrophobicContact CD2-CG 4.42Å; A151-L231 HydrophobicContact CB-CD1 4.2Å; A151-L231 HydrophobicContact CB-CD2 3.71Å; E152-L231 HydrophobicContact CG-CD2 4.05Å; A227-L231 WeakPolarHBondContact O-CB 3.47Å; A227-L231 PolarHBondContact O-N 3.22Å; L231-N233 PolarHBondContact O-N 2.76Å; L231-A234 PolarHBondContact O-N 3.31Å; L231-A235 VanDerWaalsContact O-CB 3.31Å; L231-A235 WeakPolarHBondContact O-CB 3.38Å; L231-A235 PolarHBondContact O-N 3.37Å
232	K	87	Confident	84.3	Confident	104 Å²	104	69.7 Å²	69.7	45%	0.452	38%	0.38	S	S	.	.	H	α-helix	trans	-63.5	-37.7	177.1	-74.4	-174.3	172.7	-161.9	0	113.5	E152 K228 V229 Q230 A235 R236	E152-K232 WeakPolarHBondContact OE1-CE 3.27Å; E152-K232 IonicContact OE1-NZ 3.86Å; K228-K232 WeakPolarHBondContact O-CG 3.41Å; K228-K232 PolarHBondContact O-N 3.43Å; V229-K232 PolarHBondContact O-N 2.53Å; Q230-K232 PolarHBondContact O-N 3.13Å; K232-A235 WeakPolarHBondContact O-CB 3.15Å; K232-R236 WeakPolarHBondContact O-CB 3.47Å; K232-R236 PolarHBondContact O-N 2.66Å
233	N	90.2	Very high	86	Confident	100 Å²	100	70.5 Å²	70.5	54%	0.535	38%	0.384	S	S	.	.	H	α-helix	trans	-69.9	-40.2	177	-70.3	-15.5	0	0	0	111.6	V229 Q230 L231 R236 C237	V229-N233 WeakPolarHBondContact O-CB 3.34Å; V229-N233 PolarHBondContact O-N 3.32Å; V229-N233 PolarHBondContact O-ND2 2.92Å; Q230-N233 PolarHBondContact O-N 3.21Å; L231-N233 PolarHBondContact O-N 2.76Å; N233-R236 PolarHBondContact O-N 2.94Å; N233-C237 WeakPolarHBondContact O-CB 3.25Å; N233-C237 PolarHBondContact O-N 3.47Å
234	A	89.4	Confident	87.1	Confident	52 Å²	52	72.5 Å²	72.5	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-64.8	-43.8	175.5	0	0	0	0	0	111.5	Q230 L231 R236 C237 L238	Q230-A234 WeakPolarHBondContact O-CB 3.36Å; Q230-A234 PolarHBondContact O-N 3.01Å; L231-A234 PolarHBondContact O-N 3.31Å; A234-R236 PolarHBondContact O-N 3Å; A234-C237 WeakPolarHBondContact O-CB 3.35Å; A234-C237 PolarHBondContact O-N 3.35Å; A234-L238 WeakPolarHBondContact O-CG 3.47Å; A234-L238 PolarHBondContact O-N 3.01Å
235	A	88.1	Confident	88.2	Confident	10 Å²	10	75.4 Å²	75.4	8%	0.083	40%	0.403	C	S	.	.	H	α-helix	trans	-52	-55	172.3	0	0	0	0	0	111.9	L148 L231 K232 C237 L238 E239	L148-A235 HydrophobicContact CD1-CB 3.39Å; L148-A235 HydrophobicContact CD2-CB 3.44Å; L148-A235 VanDerWaalsContact CD2-CB 3.44Å; L148-A235 HydrophobicContact CG-CB 4.03Å; L231-A235 VanDerWaalsContact O-CB 3.31Å; L231-A235 WeakPolarHBondContact O-CB 3.38Å; L231-A235 PolarHBondContact O-N 3.37Å; K232-A235 WeakPolarHBondContact O-CB 3.15Å; A235-C237 VanDerWaalsContact C-N 3.32Å; A235-C237 PolarHBondContact O-N 3.41Å; A235-L238 PolarHBondContact O-N 2.93Å; A235-L238 VanDerWaalsContact O-N 3.13Å; A235-E239 PolarHBondContact O-N 3.49Å
236	R	89.4	Confident	88.9	Confident	157 Å²	157	73.2 Å²	73.2	59%	0.592	39%	0.385	S	S	*	.	H	α-helix	trans	-58.8	-42.8	179.6	-179.6	179.5	174.3	160.2	4.2	112.1	K232 N233 A234 L238 E239 E240	K232-R236 WeakPolarHBondContact O-CB 3.47Å; K232-R236 PolarHBondContact O-N 2.66Å; N233-R236 PolarHBondContact O-N 2.94Å; A234-R236 PolarHBondContact O-N 3Å; R236-L238 VanDerWaalsContact C-N 3.31Å; R236-L238 PolarHBondContact O-N 3.08Å; R236-E239 PolarHBondContact O-N 2.84Å; R236-E240 HydrophobicContact CG-CG 4.46Å; R236-E240 WeakPolarHBondContact CG-OE1 3.38Å; R236-E240 IonicContact CZ-OE1 3.65Å; R236-E240 IonicContact NE-OE1 2.86Å; R236-E240 PolarHBondContact NE-OE1 2.92Å; R236-E240 IonicContact NH2-OE1 3.52Å; R236-E240 WeakPolarHBondContact O-CB 3.46Å; R236-E240 WeakPolarHBondContact O-CG 3.39Å; R236-E240 PolarHBondContact O-N 3.38Å
237	C	92	Very high	89.2	Confident	72 Å²	72	76.7 Å²	76.7	49%	0.486	40%	0.398	S	S	.	.	H	α-helix	trans	-60.9	-40.7	177.5	-174.8	0	0	0	0	111.9	N233 A234 A235 S241	N233-C237 WeakPolarHBondContact O-CB 3.25Å; N233-C237 PolarHBondContact O-N 3.47Å; A234-C237 WeakPolarHBondContact O-CB 3.35Å; A234-C237 PolarHBondContact O-N 3.35Å; A235-C237 VanDerWaalsContact C-N 3.32Å; A235-C237 PolarHBondContact O-N 3.41Å; C237-S241 WeakPolarHBondContact O-CB 3.49Å; C237-S241 PolarHBondContact O-N 2.61Å; C237-S241 PolarHBondContact O-OG 3.45Å
238	L	91.6	Very high	89.4	Confident	94 Å²	94	82.6 Å²	82.6	49%	0.492	42%	0.421	S	S	.	.	H	α-helix	trans	-69.4	-41	176.4	-71.3	169.1	0	0	0	112.2	L144 A234 A235 R236 S241 L242	L144-L238 HydrophobicContact CD1-CB 3.45Å; L144-L238 VanDerWaalsContact CD1-CB 3.45Å; L144-L238 HydrophobicContact CD1-CD1 3.74Å; L144-L238 HydrophobicContact CD1-CG 4.18Å; A234-L238 WeakPolarHBondContact O-CG 3.47Å; A234-L238 PolarHBondContact O-N 3.01Å; A235-L238 PolarHBondContact O-N 2.93Å; A235-L238 VanDerWaalsContact O-N 3.13Å; R236-L238 VanDerWaalsContact C-N 3.31Å; R236-L238 PolarHBondContact O-N 3.08Å; L238-S241 WeakPolarHBondContact O-CB 3.45Å; L238-S241 PolarHBondContact O-N 3.3Å; L238-L242 WeakPolarHBondContact O-CG 3.35Å; L238-L242 PolarHBondContact O-N 3.06Å
239	E	89.6	Confident	89.4	Confident	95 Å²	95	81.9 Å²	81.9	44%	0.444	42%	0.417	S	S	.	.	H	α-helix	trans	-60.3	-47	174.1	-72.6	178.6	174.4	0	0	111.8	L144 A235 R236 S241 L242 I243	L144-E239 HydrophobicContact CD2-CG 3.73Å; A235-E239 PolarHBondContact O-N 3.49Å; R236-E239 PolarHBondContact O-N 2.84Å; E239-S241 VanDerWaalsContact C-N 3.28Å; E239-S241 PolarHBondContact O-N 3.13Å; E239-L242 PolarHBondContact O-N 3.01Å; E239-I243 WeakPolarHBondContact O-CG1 3.42Å; E239-I243 PolarHBondContact O-N 3.26Å
240	E	92	Very high	89.1	Confident	90 Å²	90	82.9 Å²	82.9	42%	0.421	43%	0.428	S	S	.	.	H	α-helix	trans	-59.2	-40.6	175.1	-73.4	173.6	-174.5	0	0	111	R236 I243 L244	R236-E240 HydrophobicContact CG-CG 4.46Å; R236-E240 WeakPolarHBondContact CG-OE1 3.38Å; R236-E240 IonicContact CZ-OE1 3.65Å; R236-E240 IonicContact NE-OE1 2.86Å; R236-E240 PolarHBondContact NE-OE1 2.92Å; R236-E240 IonicContact NH2-OE1 3.52Å; R236-E240 WeakPolarHBondContact O-CB 3.46Å; R236-E240 WeakPolarHBondContact O-CG 3.39Å; R236-E240 PolarHBondContact O-N 3.38Å; E240-I243 PolarHBondContact O-N 3.15Å; E240-L244 WeakPolarHBondContact O-CG 3.4Å; E240-L244 PolarHBondContact O-N 2.7Å
241	S	92.1	Very high	88.6	Confident	54 Å²	54	78.9 Å²	78.9	38%	0.378	41%	0.411	S	S	.	.	H	α-helix	trans	-64.2	-41	175.4	-59.4	0	0	0	0	112.6	C237 L238 E239 L244 L245	C237-S241 WeakPolarHBondContact O-CB 3.49Å; C237-S241 PolarHBondContact O-N 2.61Å; C237-S241 PolarHBondContact O-OG 3.45Å; L238-S241 WeakPolarHBondContact O-CB 3.45Å; L238-S241 PolarHBondContact O-N 3.3Å; E239-S241 VanDerWaalsContact C-N 3.28Å; E239-S241 PolarHBondContact O-N 3.13Å; S241-L244 PolarHBondContact O-N 3.28Å; S241-L245 WeakPolarHBondContact O-CB 3.48Å; S241-L245 VanDerWaalsContact O-CG 3.3Å; S241-L245 WeakPolarHBondContact O-CG 3.36Å; S241-L245 PolarHBondContact O-N 3.04Å
242	L	91.1	Very high	88.1	Confident	24 Å²	24	85 Å²	85	13%	0.126	44%	0.443	C	S	.	.	H	α-helix	trans	-65.6	-38.6	176.1	-71.9	173.5	0	0	0	112.1	I137 I140 A141 L144 L238 E239 L245 D246	I137-L242 HydrophobicContact CD1-CD2 4.41Å; I140-L242 HydrophobicContact CB-CD2 4.44Å; I140-L242 HydrophobicContact CG2-CD1 4.07Å; I140-L242 HydrophobicContact CG2-CD2 3.68Å; A141-L242 HydrophobicContact CB-CD1 4.33Å; L144-L242 HydrophobicContact CD1-CD1 4.4Å; L238-L242 WeakPolarHBondContact O-CG 3.35Å; L238-L242 PolarHBondContact O-N 3.06Å; E239-L242 PolarHBondContact O-N 3.01Å; L242-L245 HydrophobicContact CD2-CD1 4.43Å; L242-L245 PolarHBondContact O-N 2.97Å; L242-D246 PolarHBondContact O-N 2.91Å
243	I	91.3	Very high	88	Confident	94 Å²	94	83.9 Å²	83.9	48%	0.482	44%	0.44	S	S	.	.	H	α-helix	trans	-62.9	-46.7	174.3	-68.2	165.4	0	0	0	110.1	E239 E240 L245 D246 Q247	E239-I243 WeakPolarHBondContact O-CG1 3.42Å; E239-I243 PolarHBondContact O-N 3.26Å; E240-I243 PolarHBondContact O-N 3.15Å; I243-L245 VanDerWaalsContact C-N 3.33Å; I243-L245 PolarHBondContact O-N 3.36Å; I243-D246 PolarHBondContact O-N 3.49Å; I243-Q247 HydrophobicContact CG2-CG 4.37Å; I243-Q247 WeakPolarHBondContact O-CB 3.37Å; I243-Q247 VanDerWaalsContact O-CG 3.32Å; I243-Q247 WeakPolarHBondContact O-CG 3.27Å; I243-Q247 PolarHBondContact O-N 3.46Å
244	L	92.2	Very high	88.2	Confident	90 Å²	90	80.9 Å²	80.9	47%	0.471	42%	0.423	S	S	.	.	H	α-helix	trans	-62	-40.9	177.2	-72	174.7	0	0	0	111.9	E240 S241 D246 Q247 H248	E240-L244 WeakPolarHBondContact O-CG 3.4Å; E240-L244 PolarHBondContact O-N 2.7Å; S241-L244 PolarHBondContact O-N 3.28Å; L244-D246 VanDerWaalsContact C-N 3.35Å; L244-D246 PolarHBondContact O-N 2.85Å; L244-Q247 PolarHBondContact O-N 2.91Å; L244-H248 WeakPolarHBondContact O-CB 3.21Å; L244-H248 PolarHBondContact O-CD2 3Å; L244-H248 VanDerWaalsContact O-CD2 3.29Å; L244-H248 PolarHBondContact O-N 2.66Å
245	L	90.1	Very high	88.6	Confident	96 Å²	96	81.1 Å²	81.1	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-60.3	-42.7	175.1	-75.8	169.8	0	0	0	111.8	W133 S241 L242 I243 Y249	W133-L245 HydrophobicContact CH2-CB 4.38Å; W133-L245 HydrophobicContact CZ2-CB 4.18Å; W133-L245 WeakPolarHBondContact CZ2-O 3.34Å; S241-L245 WeakPolarHBondContact O-CB 3.48Å; S241-L245 VanDerWaalsContact O-CG 3.3Å; S241-L245 WeakPolarHBondContact O-CG 3.36Å; S241-L245 PolarHBondContact O-N 3.04Å; L242-L245 HydrophobicContact CD2-CD1 4.43Å; L242-L245 PolarHBondContact O-N 2.97Å; I243-L245 VanDerWaalsContact C-N 3.33Å; I243-L245 PolarHBondContact O-N 3.36Å; L245-Y249 PolarHBondContact O-N 2.87Å; L245-Y249 VanDerWaalsContact O-N 3.09Å
246	D	89.9	Confident	89	Confident	34 Å²	34	80.7 Å²	80.7	18%	0.182	41%	0.413	C	S	.	.	H	α-helix	trans	-69.7	-36.5	176.7	-175.5	60.2	0	0	0	113	R129 W133 I137 L242 I243 L244 Y249	R129-D246 IonicContact CZ-OD1 3.98Å; R129-D246 IonicContact CZ-OD2 3.97Å; R129-D246 IonicContact NE-OD1 2.67Å; R129-D246 PolarHBondContact NH2-O 2.85Å; R129-D246 IonicContact NH2-OD1 3.42Å; R129-D246 PolarHBondContact NH2-OD1 3.34Å; R129-D246 IonicContact NH2-OD2 2.85Å; R129-D246 PolarHBondContact NH2-OD2 3.27Å; W133-D246 PolarHBondContact NE1-OD1 3.01Å; I137-D246 HydrophobicContact CG2-CB 4.46Å; L242-D246 PolarHBondContact O-N 2.91Å; I243-D246 PolarHBondContact O-N 3.49Å; L244-D246 VanDerWaalsContact C-N 3.35Å; L244-D246 PolarHBondContact O-N 2.85Å; D246-Y249 WeakPolarHBondContact O-CB 3.46Å; D246-Y249 PolarHBondContact O-N 2.71Å
247	Q	89	Confident	89.4	Confident	129 Å²	129	73.2 Å²	73.2	60%	0.603	39%	0.385	S	S	*	.	H	α-helix	trans	-67.4	-40.5	177.1	-74.1	178.2	3.1	0	0	112.2	I243 L244 Y249	I243-Q247 HydrophobicContact CG2-CG 4.37Å; I243-Q247 WeakPolarHBondContact O-CB 3.37Å; I243-Q247 VanDerWaalsContact O-CG 3.32Å; I243-Q247 WeakPolarHBondContact O-CG 3.27Å; I243-Q247 PolarHBondContact O-N 3.46Å; L244-Q247 PolarHBondContact O-N 2.91Å; Q247-Y249 VanDerWaalsContact C-N 3.3Å
248	H	87.2	Confident	89.8	Confident	147 Å²	147	69.8 Å²	69.8	68%	0.681	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	14.4	179.1	-69.7	-74.4	0	0	0	113.4	L244 S250	L244-H248 WeakPolarHBondContact O-CB 3.21Å; L244-H248 PolarHBondContact O-CD2 3Å; L244-H248 VanDerWaalsContact O-CD2 3.29Å; L244-H248 PolarHBondContact O-N 2.66Å; H248-S250 PolarHBondContact O-N 3.37Å
249	Y	84	Confident	90.1	Very high	45 Å²	45	65.3 Å²	65.3	18%	0.176	34%	0.338	C	S	.	.			trans	-57.1	117.3	177.8	172.6	-106.7	0	0	0	111	N128 R129 W133 L245 D246 Q247 P251	N128-Y249 PolarHBondContact OD1-OH 2.86Å; R129-Y249 HydrophobicContact CB-CD1 4.05Å; R129-Y249 HydrophobicContact CB-CE1 3.64Å; R129-Y249 HydrophobicContact CG-CD1 3.7Å; R129-Y249 HydrophobicContact CG-CE1 3.8Å; W133-Y249 HydrophobicContact CB-CD2 4.06Å; W133-Y249 HydrophobicContact CB-CE1 4.22Å; W133-Y249 HydrophobicContact CB-CE2 3.62Å; W133-Y249 HydrophobicContact CB-CG 4.5Å; W133-Y249 AromaticContact CD1-CD2 3.72Å; W133-Y249 AromaticContact CD1-CG 3.63Å; W133-Y249 AromaticContact CD2-CD2 3.16Å; W133-Y249 HydrophobicContact CD2-CD2 3.16Å; W133-Y249 AromaticContact CD2-CE2 3.47Å; W133-Y249 HydrophobicContact CD2-CE2 3.47Å; W133-Y249 VanDerWaalsContact CD2-CE2 3.47Å; W133-Y249 AromaticContact CD2-CG 3.89Å; W133-Y249 HydrophobicContact CD2-CG 3.89Å; W133-Y249 AromaticContact CE2-CD2 3.41Å; W133-Y249 VanDerWaalsContact CE2-CD2 3.41Å; W133-Y249 AromaticContact CE2-CG 3.81Å; W133-Y249 AromaticContact CE3-CD2 3.6Å; W133-Y249 HydrophobicContact CE3-CD2 3.6Å; W133-Y249 AromaticContact CE3-CE2 3.65Å; W133-Y249 HydrophobicContact CE3-CE2 3.65Å; W133-Y249 HydrophobicContact CG-CD1 4.23Å; W133-Y249 AromaticContact CG-CD2 3.37Å; W133-Y249 HydrophobicContact CG-CD2 3.37Å; W133-Y249 HydrophobicContact CG-CE1 4.3Å; W133-Y249 AromaticContact CG-CE2 3.46Å; W133-Y249 HydrophobicContact CG-CE2 3.46Å; W133-Y249 VanDerWaalsContact CG-CE2 3.46Å; W133-Y249 AromaticContact CG-CG 3.76Å; W133-Y249 HydrophobicContact CG-CG 3.76Å; W133-Y249 AromaticContact CG-CZ 3.92Å; W133-Y249 HydrophobicContact CH2-CD2 4.33Å; W133-Y249 AromaticContact CZ2-CD2 4Å; W133-Y249 HydrophobicContact CZ2-CD2 4Å; W133-Y249 HydrophobicContact CZ3-CD2 4.16Å; W133-Y249 HydrophobicContact CZ3-CE2 4.46Å; W133-Y249 AromaticContact NE1-CD2 3.74Å; W133-Y249 AromaticContact NE1-CG 3.66Å; L245-Y249 PolarHBondContact O-N 2.87Å; L245-Y249 VanDerWaalsContact O-N 3.09Å; D246-Y249 WeakPolarHBondContact O-CB 3.46Å; D246-Y249 PolarHBondContact O-N 2.71Å; Q247-Y249 VanDerWaalsContact C-N 3.3Å; Y249-P251 HydrophobicContact CE1-CB 3.99Å; Y249-P251 HydrophobicContact CE1-CG 4.22Å; Y249-P251 WeakPolarHBondContact OH-CB 3.23Å
250	S	78.7	Confident	90.5	Very high	102 Å²	102	60.8 Å²	60.8	71%	0.713	32%	0.317	S	S	*	.			trans	-115.5	111.9	171.6	-177.5	0	0	0	0	108.5	H248	H248-S250 PolarHBondContact O-N 3.37Å
251	P	77.5	Confident	90.8	Very high	23 Å²	23	56.6 Å²	56.6	15%	0.149	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-62.8	149	177.8	24	-30.6	0	0	0	110.8	R125 Y249	R125-P251 HydrophobicContact CB-CG 3.91Å; R125-P251 HydrophobicContact CG-CB 4.47Å; R125-P251 HydrophobicContact CG-CG 3.53Å; Y249-P251 HydrophobicContact CE1-CB 3.99Å; Y249-P251 HydrophobicContact CE1-CG 4.22Å; Y249-P251 WeakPolarHBondContact OH-CB 3.23Å
252	L	77.8	Confident	91.1	Very high	172 Å²	172	56.6 Å²	56.6	90%	0.901	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-58.9	138.9	169.8	-68.7	174	0	0	0	109.8
253	E	85.4	Confident	91.3	Very high	82 Å²	82	57.6 Å²	57.6	38%	0.383	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-79.1	137.7	-178.4	-173.6	163.7	-157.2	0	0	111.4	P111 S113 I255	P111-E253 HydrophobicContact CB-CG 4.43Å; P111-E253 WeakPolarHBondContact CB-OE1 3.37Å; S113-E253 WeakPolarHBondContact CB-OE1 3.5Å; S113-E253 PolarHBondContact OG-OE1 2.59Å; E253-I255 HydrophobicContact CB-CG1 4.39Å; E253-I255 HydrophobicContact CG-CG1 4.18Å; E253-I255 PolarHBondContact O-N 2.89Å
254	I	94.3	Very high	91.5	Very high	36 Å²	36	54.9 Å²	54.9	19%	0.185	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-74	120.6	171	-60.1	172.4	0	0	0	107.3	A112 L124 Y256 Y276	A112-I254 HydrophobicContact CB-CB 3.7Å; A112-I254 HydrophobicContact CB-CG2 3.79Å; A112-I254 WeakPolarHBondContact CB-O 3.33Å; A112-I254 PolarHBondContact N-O 2.89Å; L124-I254 HydrophobicContact CD1-CD1 4.27Å; I254-Y256 HydrophobicContact CG2-CE1 3.98Å; I254-Y256 HydrophobicContact CG2-CE2 3.89Å; I254-Y276 HydrophobicContact CB-CE1 4.26Å; I254-Y276 HydrophobicContact CG1-CD1 4.27Å; I254-Y276 HydrophobicContact CG1-CE1 4.19Å; I254-Y276 HydrophobicContact CG2-CD1 4.06Å; I254-Y276 HydrophobicContact CG2-CD2 3.76Å; I254-Y276 HydrophobicContact CG2-CE1 3.94Å; I254-Y276 HydrophobicContact CG2-CE2 3.62Å; I254-Y276 HydrophobicContact CG2-CG 3.97Å
255	I	96.5	Very high	91.7	Very high	57 Å²	57	57.2 Å²	57.2	29%	0.292	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.4	-178.5	-58	174	0	0	0	108	T88 V109 E253 Y276	T88-I255 HydrophobicContact CG2-CB 4.26Å; T88-I255 HydrophobicContact CG2-CG2 3.72Å; V109-I255 HydrophobicContact CB-CG2 4.15Å; V109-I255 HydrophobicContact CG1-CG2 4.32Å; E253-I255 HydrophobicContact CB-CG1 4.39Å; E253-I255 HydrophobicContact CG-CG1 4.18Å; E253-I255 PolarHBondContact O-N 2.89Å; I255-Y276 PolarHBondContact N-OH 3.41Å; I255-Y276 WeakPolarHBondContact O-CE2 3.48Å; I255-Y276 PolarHBondContact O-OH 3Å
256	Y	97.9	Very high	91.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.7	178.3	-59.3	-70.2	0	0	0	110.6	V109 K110 A112 L115 F116 I254 I271 D272 T273 Y276 F300	V109-Y256 CarbonylContact C-O 3.53Å; V109-Y256 VanDerWaalsContact CA-O 3.3Å; V109-Y256 WeakPolarHBondContact CA-O 3.43Å; K110-Y256 PolarHBondContact N-O 3.07Å; K110-Y256 PolarHBondContact O-N 2.79Å; A112-Y256 HydrophobicContact CB-CE2 3.82Å; L115-Y256 HydrophobicContact CD1-CD2 4.25Å; F116-Y256 HydrophobicContact CE1-CE2 4.21Å; F116-Y256 HydrophobicContact CZ-CE2 4.08Å; F116-Y256 WeakPolarHBondContact CZ-OH 3.37Å; I254-Y256 HydrophobicContact CG2-CE1 3.98Å; I254-Y256 HydrophobicContact CG2-CE2 3.89Å; Y256-I271 HydrophobicContact CD1-CG2 4.15Å; Y256-I271 HydrophobicContact CD2-CG2 4.49Å; Y256-I271 HydrophobicContact CG-CG2 3.86Å; Y256-D272 WeakPolarHBondContact CD1-O 3.44Å; Y256-T273 HydrophobicContact CD1-CG2 4.11Å; Y256-T273 HydrophobicContact CE1-CG2 3.87Å; Y256-Y276 AromaticContact CD1-CD2 3.98Å; Y256-Y276 HydrophobicContact CD1-CD2 3.98Å; Y256-Y276 HydrophobicContact CD1-CE2 4Å; Y256-Y276 AromaticContact CE1-CD2 3.57Å; Y256-Y276 HydrophobicContact CE1-CD2 3.57Å; Y256-Y276 AromaticContact CE1-CE2 3.98Å; Y256-Y276 HydrophobicContact CE1-CE2 3.98Å; Y256-F300 HydrophobicContact CD2-CD1 4.36Å; Y256-F300 HydrophobicContact CD2-CE1 4.13Å; Y256-F300 HydrophobicContact CE1-CD1 4.18Å; Y256-F300 AromaticContact CE2-CD1 3.72Å; Y256-F300 HydrophobicContact CE2-CD1 3.72Å; Y256-F300 AromaticContact CE2-CE1 3.83Å; Y256-F300 HydrophobicContact CE2-CE1 3.83Å; Y256-F300 AromaticContact CZ-CD1 3.62Å
257	D	98.1	Very high	92.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.9	160.7	-71.5	-66.6	0	0	0	108.6	T86 L87 T88 R90 V109 F259 D272	T86-D257 VanDerWaalsContact CB-OD1 3.25Å; T86-D257 WeakPolarHBondContact CB-OD1 3.15Å; T86-D257 WeakPolarHBondContact CB-OD2 3.22Å; T86-D257 HydrophobicContact CG2-CB 4.39Å; T86-D257 VanDerWaalsContact OG1-CG 3.31Å; T86-D257 PolarHBondContact OG1-OD1 2.81Å; T86-D257 PolarHBondContact OG1-OD2 2.94Å; L87-D257 PolarHBondContact N-OD1 3.42Å; T88-D257 WeakPolarHBondContact CG2-OD1 3.49Å; T88-D257 PolarHBondContact N-OD1 3.35Å; T88-D257 PolarHBondContact OG1-OD2 3.37Å; R90-D257 IonicContact CZ-OD2 3.1Å; R90-D257 IonicContact NE-OD2 3.65Å; R90-D257 PolarHBondContact NE-OD2 3.28Å; R90-D257 IonicContact NH2-OD2 2.82Å; R90-D257 PolarHBondContact NH2-OD2 3.16Å; V109-D257 WeakPolarHBondContact CG1-OD1 3.34Å; D257-F259 HydrophobicContact CB-CE2 4.31Å; D257-F259 HydrophobicContact CB-CZ 4.25Å; D257-D272 HydrophobicContact CB-CB 4.32Å; D257-D272 WeakPolarHBondContact O-CB 3.48Å; D257-D272 PolarHBondContact O-N 2.91Å
258	C	98.7	Very high	92.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.6	-179.7	-57.5	0	0	0	0	109.2	V69 M71 I107 G108 C270 L319	V69-C258 HydrophobicContact CG1-CB 4.31Å; M71-C258 HydrophobicContact CE-CB 4.2Å; M71-C258 WeakPolarHBondContact CE-O 3.31Å; M71-C258 HydrophobicContact SD-CB 4.3Å; I107-C258 CarbonylContact C-O 3.5Å; I107-C258 VanDerWaalsContact CA-O 3.31Å; I107-C258 WeakPolarHBondContact CA-O 3.18Å; G108-C258 PolarHBondContact N-O 3Å; G108-C258 PolarHBondContact O-N 2.56Å; C258-C270 WeakPolarHBondContact CA-O 3.26Å; C258-L319 HydrophobicContact CB-CD2 3.71Å
259	F	98.7	Very high	93.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.4	178.3	-58.1	-76.7	0	0	0	109.8	I84 T86 V92 I94 W98 I105 R106 I107 D257 A269 C270 D272 L282	I84-F259 HydrophobicContact CD1-CE1 3.84Å; T86-F259 HydrophobicContact CG2-CE1 4.4Å; T86-F259 HydrophobicContact CG2-CZ 3.91Å; V92-F259 HydrophobicContact CG2-CZ 4.18Å; I94-F259 HydrophobicContact CD1-CE1 4.28Å; W98-F259 HydrophobicContact CH2-CB 4.16Å; W98-F259 AromaticContact CH2-CD2 3.98Å; W98-F259 HydrophobicContact CH2-CD2 3.98Å; W98-F259 HydrophobicContact CH2-CG 4.23Å; W98-F259 HydrophobicContact CZ3-CB 3.72Å; W98-F259 HydrophobicContact CZ3-CD2 4.01Å; W98-F259 AromaticContact CZ3-CG 3.83Å; W98-F259 HydrophobicContact CZ3-CG 3.83Å; I105-F259 HydrophobicContact CG2-CB 4.14Å; I105-F259 HydrophobicContact CG2-CD1 3.79Å; I105-F259 HydrophobicContact CG2-CG 4.42Å; R106-F259 CarbonylContact O-C 3.59Å; R106-F259 VanDerWaalsContact O-CA 3.31Å; R106-F259 WeakPolarHBondContact O-CA 3.48Å; I107-F259 HydrophobicContact CD1-CE1 4.13Å; I107-F259 HydrophobicContact CG1-CD1 4.01Å; I107-F259 HydrophobicContact CG1-CE1 4.05Å; I107-F259 HydrophobicContact CG2-CE1 4.26Å; D257-F259 HydrophobicContact CB-CE2 4.31Å; D257-F259 HydrophobicContact CB-CZ 4.25Å; F259-A269 CarbonylContact O-C 3.59Å; F259-A269 WeakPolarHBondContact O-CA 3.34Å; F259-C270 HydrophobicContact CB-CB 4.47Å; F259-C270 PolarHBondContact N-O 3.03Å; F259-C270 PolarHBondContact O-N 3.19Å; F259-D272 HydrophobicContact CE2-CB 3.92Å; F259-L282 HydrophobicContact CD2-CD1 4.23Å; F259-L282 HydrophobicContact CE2-CD1 3.94Å; F259-L282 HydrophobicContact CE2-CD2 4.16Å; F259-L282 HydrophobicContact CZ-CD2 4.46Å
260	V	98.8	Very high	94	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	132.5	171.6	172.7	0	0	0	0	109.8	M71 R106 W267 V268 A269 I312 L319	M71-V260 HydrophobicContact CE-CB 3.76Å; M71-V260 HydrophobicContact CE-CG2 3.55Å; M71-V260 HydrophobicContact CG-CB 4.31Å; M71-V260 HydrophobicContact CG-CG2 4.01Å; M71-V260 HydrophobicContact SD-CG2 4.22Å; R106-V260 WeakPolarHBondContact CA-O 3.3Å; R106-V260 HydrophobicContact CB-CB 4.48Å; R106-V260 WeakPolarHBondContact CB-O 3.19Å; R106-V260 PolarHBondContact N-O 3.06Å; R106-V260 PolarHBondContact O-N 2.78Å; V260-W267 HydrophobicContact CG1-CE3 3.77Å; V260-W267 HydrophobicContact CG1-CZ3 4.3Å; V260-V268 WeakPolarHBondContact CA-O 3.38Å; V260-A269 HydrophobicContact CG2-CB 3.82Å; V260-I312 HydrophobicContact CG1-CG2 4.14Å; V260-L319 HydrophobicContact CG2-CB 3.95Å; V260-L319 HydrophobicContact CG2-CD1 4.27Å; V260-L319 HydrophobicContact CG2-CD2 4.16Å; V260-L319 HydrophobicContact CG2-CG 4.36Å
261	F	98.4	Very high	94.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	167.6	174.7	60.7	-84.9	0	0	0	110.4	W98 P100 I104 I105 D263 W267 V268 L287	W98-F261 HydrophobicContact CB-CE1 4.22Å; W98-F261 HydrophobicContact CB-CE2 4.25Å; W98-F261 HydrophobicContact CB-CZ 3.67Å; W98-F261 AromaticContact CD2-CE1 3.63Å; W98-F261 HydrophobicContact CD2-CE1 3.63Å; W98-F261 AromaticContact CD2-CZ 3.77Å; W98-F261 HydrophobicContact CD2-CZ 3.77Å; W98-F261 HydrophobicContact CE3-CD1 4.23Å; W98-F261 AromaticContact CE3-CE1 3.4Å; W98-F261 HydrophobicContact CE3-CE1 3.4Å; W98-F261 HydrophobicContact CE3-CZ 4Å; W98-F261 AromaticContact CG-CE1 3.99Å; W98-F261 HydrophobicContact CG-CE1 3.99Å; W98-F261 AromaticContact CG-CZ 3.61Å; W98-F261 HydrophobicContact CG-CZ 3.61Å; W98-F261 HydrophobicContact CZ3-CE1 4.04Å; P100-F261 HydrophobicContact CB-CB 4.2Å; P100-F261 HydrophobicContact CB-CD2 3.87Å; P100-F261 HydrophobicContact CB-CG 4.39Å; P100-F261 HydrophobicContact CG-CD2 4.21Å; I104-F261 VanDerWaalsContact O-CB 3.29Å; I104-F261 WeakPolarHBondContact O-CB 3.38Å; I105-F261 HydrophobicContact CD1-CD1 4.46Å; I105-F261 HydrophobicContact CG1-CB 4.07Å; I105-F261 HydrophobicContact CG1-CD1 4.11Å; I105-F261 HydrophobicContact CG1-CG 4.19Å; F261-D263 HydrophobicContact CE2-CB 4.31Å; F261-W267 VanDerWaalsContact C-CE3 3.46Å; F261-V268 HydrophobicContact CD1-CG2 4.19Å; F261-V268 HydrophobicContact CD2-CG2 3.83Å; F261-V268 HydrophobicContact CE1-CG2 3.88Å; F261-V268 HydrophobicContact CE2-CG2 3.51Å; F261-V268 HydrophobicContact CG-CG2 4.16Å; F261-V268 HydrophobicContact CZ-CG2 3.54Å; F261-V268 PolarHBondContact N-O 3.11Å; F261-V268 VanDerWaalsContact N-O 3.1Å; F261-V268 WeakPolarHBondContact O-CG2 3.35Å; F261-V268 PolarHBondContact O-N 2.7Å; F261-L287 HydrophobicContact CE1-CD2 3.66Å; F261-L287 HydrophobicContact CZ-CD1 3.94Å; F261-L287 HydrophobicContact CZ-CD2 3.67Å; F261-L287 HydrophobicContact CZ-CG 4.49Å
262	H	98	Very high	95.9	Very high	54 Å²	54	36.2 Å²	36.2	25%	0.25	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.7	173.4	-166.2	-89.9	0	0	0	108.6	P100 P101 G264 E266 W267	P100-H262 WeakPolarHBondContact CA-O 3.33Å; P100-H262 WeakPolarHBondContact CB-O 2.99Å; P101-H262 WeakPolarHBondContact CD-O 3.42Å; H262-G264 PolarHBondContact CE1-O 2.76Å; H262-G264 WeakPolarHBondContact ND1-CA 3.45Å; H262-G264 PolarHBondContact ND1-N 3.49Å; H262-G264 VanDerWaalsContact ND1-N 3.15Å; H262-G264 PolarHBondContact O-N 2.82Å; H262-E266 WeakPolarHBondContact CA-O 3.31Å; H262-E266 VanDerWaalsContact CD2-C 3.43Å; H262-W267 HydrophobicContact CB-CD2 4.19Å; H262-W267 HydrophobicContact CB-CE3 4.06Å; H262-W267 HydrophobicContact CB-CH2 4.15Å; H262-W267 HydrophobicContact CB-CZ2 4.28Å; H262-W267 HydrophobicContact CB-CZ3 4.05Å; H262-W267 AromaticContact CD2-CD1 3.86Å; H262-W267 AromaticContact CD2-CE2 3.83Å; H262-W267 AromaticContact CD2-NE1 3.74Å
263	D	95.6	Very high	96.8	Very high	45 Å²	45	28.2 Å²	28.2	24%	0.241	15%	0.147	C	C	.	.			trans	-81.3	-3.4	-177.1	71.5	1.2	0	0	0	113.5	F261 N265 E266 V268 R289	F261-D263 HydrophobicContact CE2-CB 4.31Å; D263-N265 WeakPolarHBondContact OD1-CA 3.41Å; D263-N265 PolarHBondContact OD1-N 3.22Å; D263-E266 PolarHBondContact N-O 2.88Å; D263-E266 PolarHBondContact OD1-N 3.1Å; D263-E266 VanDerWaalsContact OD1-O 3.12Å; D263-V268 HydrophobicContact CB-CG1 4.44Å; D263-V268 HydrophobicContact CB-CG2 4.2Å; D263-R289 IonicContact OD2-CZ 3.89Å; D263-R289 IonicContact OD2-NH2 2.82Å; D263-R289 PolarHBondContact OD2-NH2 3.45Å
264	G	95.6	Very high	97.3	Very high	37 Å²	37	25.5 Å²	25.5	38%	0.381	14%	0.137	S	C	.	.	S	Bend	trans	110.1	-25.2	-175.8	0	0	0	0	0	112.7	H262	H262-G264 PolarHBondContact CE1-O 2.76Å; H262-G264 WeakPolarHBondContact ND1-CA 3.45Å; H262-G264 PolarHBondContact ND1-N 3.49Å; H262-G264 VanDerWaalsContact ND1-N 3.15Å; H262-G264 PolarHBondContact O-N 2.82Å
265	N	94.6	Very high	97.3	Very high	138 Å²	138	26.6 Å²	26.6	74%	0.738	15%	0.146	S	C	*	.	S	Bend	trans	-105.6	-48.9	173.2	-61.6	-35.9	0	0	0	110.7	D263	D263-N265 WeakPolarHBondContact OD1-CA 3.41Å; D263-N265 PolarHBondContact OD1-N 3.22Å
266	E	95.6	Very high	97.1	Very high	69 Å²	69	27.3 Å²	27.3	32%	0.322	15%	0.146	S	C	.	.	S	Bend	trans	-145.4	168.2	-173.5	-67.1	-178.6	145	0	0	112.5	H262 D263 R289	H262-E266 WeakPolarHBondContact CA-O 3.31Å; H262-E266 VanDerWaalsContact CD2-C 3.43Å; D263-E266 PolarHBondContact N-O 2.88Å; D263-E266 PolarHBondContact OD1-N 3.1Å; D263-E266 VanDerWaalsContact OD1-O 3.12Å; E266-R289 WeakPolarHBondContact OE2-CD 3.32Å; E266-R289 IonicContact OE2-NE 2.94Å; E266-R289 PolarHBondContact OE2-NE 3.4Å
267	W	97.9	Very high	96.9	Very high	66 Å²	66	28 Å²	28	25%	0.25	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.2	167.9	-68.1	95.9	0	0	0	110.6	V260 F261 H262 I312 N315	V260-W267 HydrophobicContact CG1-CE3 3.77Å; V260-W267 HydrophobicContact CG1-CZ3 4.3Å; F261-W267 VanDerWaalsContact C-CE3 3.46Å; H262-W267 HydrophobicContact CB-CD2 4.19Å; H262-W267 HydrophobicContact CB-CE3 4.06Å; H262-W267 HydrophobicContact CB-CH2 4.15Å; H262-W267 HydrophobicContact CB-CZ2 4.28Å; H262-W267 HydrophobicContact CB-CZ3 4.05Å; H262-W267 AromaticContact CD2-CD1 3.86Å; H262-W267 AromaticContact CD2-CE2 3.83Å; H262-W267 AromaticContact CD2-NE1 3.74Å; W267-I312 HydrophobicContact CB-CB 4.28Å; W267-I312 HydrophobicContact CB-CD1 3.82Å; W267-I312 HydrophobicContact CB-CG2 3.82Å; W267-I312 HydrophobicContact CG-CG2 4.2Å; W267-I312 WeakPolarHBondContact O-CD1 2.78Å; W267-N315 VanDerWaalsContact CE2-C 3.43Å; W267-N315 VanDerWaalsContact CH2-O 3.24Å; W267-N315 WeakPolarHBondContact CH2-O 3.21Å; W267-N315 HydrophobicContact CZ2-CB 3.96Å; W267-N315 WeakPolarHBondContact CZ2-O 3.45Å
268	V	98.5	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.5	176.7	-65.3	0	0	0	0	110.2	V260 F261 D263 L287 L288 R289	V260-V268 WeakPolarHBondContact CA-O 3.38Å; F261-V268 HydrophobicContact CD1-CG2 4.19Å; F261-V268 HydrophobicContact CD2-CG2 3.83Å; F261-V268 HydrophobicContact CE1-CG2 3.88Å; F261-V268 HydrophobicContact CE2-CG2 3.51Å; F261-V268 HydrophobicContact CG-CG2 4.16Å; F261-V268 HydrophobicContact CZ-CG2 3.54Å; F261-V268 PolarHBondContact N-O 3.11Å; F261-V268 VanDerWaalsContact N-O 3.1Å; F261-V268 WeakPolarHBondContact O-CG2 3.35Å; F261-V268 PolarHBondContact O-N 2.7Å; D263-V268 HydrophobicContact CB-CG1 4.44Å; D263-V268 HydrophobicContact CB-CG2 4.2Å; V268-L287 HydrophobicContact CB-CB 4.29Å; V268-L287 HydrophobicContact CB-CD2 4.29Å; V268-L287 HydrophobicContact CG2-CD1 4.49Å; V268-L287 HydrophobicContact CG2-CD2 4.02Å; V268-L288 CarbonylContact C-O 3.54Å; V268-L288 WeakPolarHBondContact CA-O 3.14Å; V268-R289 HydrophobicContact CG1-CG 3.87Å
269	A	98.7	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.4	179.2	0	0	0	0	0	111.3	F259 V260 L288 V310 I312 L319	F259-A269 CarbonylContact O-C 3.59Å; F259-A269 WeakPolarHBondContact O-CA 3.34Å; V260-A269 HydrophobicContact CG2-CB 3.82Å; A269-L288 PolarHBondContact N-O 3.2Å; A269-L288 PolarHBondContact O-N 2.94Å; A269-V310 HydrophobicContact CB-CG2 4.27Å; A269-I312 HydrophobicContact CB-CD1 3.94Å; A269-I312 HydrophobicContact CB-CG1 4.43Å; A269-L319 HydrophobicContact CB-CD1 3.58Å; A269-L319 HydrophobicContact CB-CD2 4.4Å
270	C	98.7	Very high	95.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.5	169.2	177.3	0	0	0	0	109.1	W98 C258 F259 L287	W98-C270 HydrophobicContact CH2-CB 3.36Å; W98-C270 HydrophobicContact CZ2-CB 3.6Å; W98-C270 HydrophobicContact CZ3-CB 4.35Å; C258-C270 WeakPolarHBondContact CA-O 3.26Å; F259-C270 HydrophobicContact CB-CB 4.47Å; F259-C270 PolarHBondContact N-O 3.03Å; F259-C270 PolarHBondContact O-N 3.19Å; C270-L287 HydrophobicContact CB-CD2 4.04Å
271	I	98.5	Very high	95.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.7	172.7	-64.7	61.8	0	0	0	106	Y256 T273 F300 Y308 V310 L319 I321	Y256-I271 HydrophobicContact CD1-CG2 4.15Å; Y256-I271 HydrophobicContact CD2-CG2 4.49Å; Y256-I271 HydrophobicContact CG-CG2 3.86Å; I271-T273 HydrophobicContact CG2-CG2 4.25Å; I271-T273 PolarHBondContact O-N 3.16Å; I271-F300 HydrophobicContact CG2-CE1 4.19Å; I271-Y308 HydrophobicContact CB-CE2 4.2Å; I271-Y308 HydrophobicContact CD1-CD2 4.43Å; I271-Y308 HydrophobicContact CD1-CE2 3.63Å; I271-Y308 HydrophobicContact CG1-CE2 3.89Å; I271-V310 HydrophobicContact CD1-CG1 3.8Å; I271-L319 HydrophobicContact CD1-CD2 4.28Å; I271-I321 HydrophobicContact CD1-CD1 4.41Å; I271-I321 HydrophobicContact CD1-CG1 4.31Å; I271-I321 HydrophobicContact CG1-CD1 3.62Å; I271-I321 HydrophobicContact CG1-CG1 4.02Å
272	D	98.1	Very high	95.7	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	93.6	-175.7	-173.3	7.2	0	0	0	111.9	R90 Y256 D257 F259 S274 L282 L285	R90-D272 IonicContact CZ-OD2 3.27Å; R90-D272 VanDerWaalsContact CZ-OD2 3.25Å; R90-D272 IonicContact NH1-OD2 3.37Å; R90-D272 PolarHBondContact NH1-OD2 3.27Å; R90-D272 IonicContact NH2-OD2 3.63Å; R90-D272 PolarHBondContact NH2-OD2 3.17Å; Y256-D272 WeakPolarHBondContact CD1-O 3.44Å; D257-D272 HydrophobicContact CB-CB 4.32Å; D257-D272 WeakPolarHBondContact O-CB 3.48Å; D257-D272 PolarHBondContact O-N 2.91Å; F259-D272 HydrophobicContact CE2-CB 3.92Å; D272-S274 WeakPolarHBondContact OD1-CB 3.34Å; D272-S274 PolarHBondContact OD1-N 3.34Å; D272-S274 PolarHBondContact OD1-OG 2.72Å; D272-L282 HydrophobicContact CB-CD1 4.11Å; D272-L285 HydrophobicContact CB-CD1 4.38Å; D272-L285 WeakPolarHBondContact OD1-CD1 3.39Å
273	T	97.3	Very high	95.6	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	28%	0.276	C	S	.	.			trans	-90.2	-2.7	175.8	66.8	0	0	0	0	112.8	Y256 I271 Y276 N277 L285 F300	Y256-T273 HydrophobicContact CD1-CG2 4.11Å; Y256-T273 HydrophobicContact CE1-CG2 3.87Å; I271-T273 HydrophobicContact CG2-CG2 4.25Å; I271-T273 PolarHBondContact O-N 3.16Å; T273-Y276 PolarHBondContact O-N 2.94Å; T273-N277 VanDerWaalsContact CB-ND2 3.32Å; T273-N277 WeakPolarHBondContact CB-ND2 3.29Å; T273-N277 PolarHBondContact O-N 2.93Å; T273-N277 PolarHBondContact O-ND2 3.42Å; T273-N277 PolarHBondContact OG1-ND2 2.82Å; T273-N277 VanDerWaalsContact OG1-ND2 3.13Å; T273-L285 WeakPolarHBondContact OG1-CD2 3.34Å; T273-F300 HydrophobicContact CG2-CD1 4.14Å
274	S	96.1	Very high	95.6	Very high	26 Å²	26	53 Å²	53	18%	0.182	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.5	-173.2	106.7	0	0	0	0	114.5	D272 Y276 T280	D272-S274 WeakPolarHBondContact OD1-CB 3.34Å; D272-S274 PolarHBondContact OD1-N 3.34Å; D272-S274 PolarHBondContact OD1-OG 2.72Å; S274-Y276 PolarHBondContact O-N 3.15Å; S274-T280 WeakPolarHBondContact CB-O 3.36Å
275	P	93.9	Very high	95.7	Very high	58 Å²	58	52 Å²	52	38%	0.377	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.5	176.1	-27.2	37.8	0	0	0	114.5
276	Y	92.7	Very high	95.8	Very high	73 Å²	73	48 Å²	48	29%	0.286	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-6.9	-171.2	-50.8	-68.2	0	0	0	112.4	I254 I255 Y256 T273 S274 Q303	I254-Y276 HydrophobicContact CB-CE1 4.26Å; I254-Y276 HydrophobicContact CG1-CD1 4.27Å; I254-Y276 HydrophobicContact CG1-CE1 4.19Å; I254-Y276 HydrophobicContact CG2-CD1 4.06Å; I254-Y276 HydrophobicContact CG2-CD2 3.76Å; I254-Y276 HydrophobicContact CG2-CE1 3.94Å; I254-Y276 HydrophobicContact CG2-CE2 3.62Å; I254-Y276 HydrophobicContact CG2-CG 3.97Å; I255-Y276 PolarHBondContact N-OH 3.41Å; I255-Y276 WeakPolarHBondContact O-CE2 3.48Å; I255-Y276 PolarHBondContact O-OH 3Å; Y256-Y276 AromaticContact CD1-CD2 3.98Å; Y256-Y276 HydrophobicContact CD1-CD2 3.98Å; Y256-Y276 HydrophobicContact CD1-CE2 4Å; Y256-Y276 AromaticContact CE1-CD2 3.57Å; Y256-Y276 HydrophobicContact CE1-CD2 3.57Å; Y256-Y276 AromaticContact CE1-CE2 3.98Å; Y256-Y276 HydrophobicContact CE1-CE2 3.98Å; T273-Y276 PolarHBondContact O-N 2.94Å; S274-Y276 PolarHBondContact O-N 3.15Å; Y276-Q303 PolarHBondContact O-NE2 3.31Å; Y276-Q303 VanDerWaalsContact O-NE2 3.16Å
277	N	92.2	Very high	95.9	Very high	17 Å²	17	46.6 Å²	46.6	9%	0.091	25%	0.252	C	S	.	.	S	Bend	trans	-117.1	109	177.7	-69.3	-38.6	0	0	0	109.4	T273 N279 T280 F300 G301 Q303	T273-N277 VanDerWaalsContact CB-ND2 3.32Å; T273-N277 WeakPolarHBondContact CB-ND2 3.29Å; T273-N277 PolarHBondContact O-N 2.93Å; T273-N277 PolarHBondContact O-ND2 3.42Å; T273-N277 PolarHBondContact OG1-ND2 2.82Å; T273-N277 VanDerWaalsContact OG1-ND2 3.13Å; N277-N279 PolarHBondContact O-N 3.2Å; N277-T280 WeakPolarHBondContact O-CB 3.49Å; N277-T280 PolarHBondContact O-N 3Å; N277-T280 PolarHBondContact O-OG1 3.21Å; N277-F300 PolarHBondContact ND2-O 2.98Å; N277-G301 VanDerWaalsContact OD1-CA 3.24Å; N277-G301 WeakPolarHBondContact OD1-CA 3.46Å; N277-Q303 PolarHBondContact OD1-NE2 3.04Å
278	P	89.8	Confident	95.9	Very high	105 Å²	105	43.7 Å²	43.7	68%	0.682	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	143.1	178.9	-25.9	34.1	0	0	0	111.7	T280	P278-T280 PolarHBondContact O-N 3Å; P278-T280 VanDerWaalsContact O-N 3.08Å
279	N	91.1	Very high	95.9	Very high	170 Å²	170	46.3 Å²	46.3	91%	0.909	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	7.3	174.2	-63.4	-146.9	0	0	0	114.6	N277	N277-N279 PolarHBondContact O-N 3.2Å
280	T	94.2	Very high	95.8	Very high	46 Å²	46	47.6 Å²	47.6	28%	0.282	26%	0.258	S	S	.	.			trans	-97.6	132.5	176.2	-54.2	0	0	0	0	110	S274 N277 P278 L285	S274-T280 WeakPolarHBondContact CB-O 3.36Å; N277-T280 WeakPolarHBondContact O-CB 3.49Å; N277-T280 PolarHBondContact O-N 3Å; N277-T280 PolarHBondContact O-OG1 3.21Å; P278-T280 PolarHBondContact O-N 3Å; P278-T280 VanDerWaalsContact O-N 3.08Å; T280-L285 HydrophobicContact CG2-CD2 3.53Å; T280-L285 HydrophobicContact CG2-CG 4.23Å
281	K	94.9	Very high	95.8	Very high	142 Å²	142	47.9 Å²	47.9	62%	0.617	26%	0.259	S	S	*	.			trans	-106.6	162.1	170.3	-61.7	177.7	-178.2	176.5	0	110.5	S283 D284	K281-S283 PolarHBondContact O-N 2.51Å; K281-S283 VanDerWaalsContact O-N 3.14Å; K281-D284 WeakPolarHBondContact CB-OD2 3.45Å; K281-D284 PolarHBondContact N-OD2 2.85Å; K281-D284 PolarHBondContact O-N 3.32Å
282	L	97	Very high	95.6	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.063	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-55.9	-30.8	174.4	-176.2	58.7	0	0	0	112.6	V92 I94 P95 W98 F259 D272 D284 L285	V92-L282 HydrophobicContact CB-CD2 4.25Å; V92-L282 HydrophobicContact CG2-CD2 4.23Å; I94-L282 HydrophobicContact CD1-CD2 4.14Å; P95-L282 HydrophobicContact CG-CB 4.41Å; P95-L282 HydrophobicContact CG-CG 4.01Å; W98-L282 HydrophobicContact CH2-CD1 3.8Å; W98-L282 HydrophobicContact CH2-CG 4.17Å; W98-L282 HydrophobicContact CZ2-CD1 4.26Å; W98-L282 HydrophobicContact CZ2-CG 4.46Å; F259-L282 HydrophobicContact CD2-CD1 4.23Å; F259-L282 HydrophobicContact CE2-CD1 3.94Å; F259-L282 HydrophobicContact CE2-CD2 4.16Å; F259-L282 HydrophobicContact CZ-CD2 4.46Å; D272-L282 HydrophobicContact CB-CD1 4.11Å; L282-D284 PolarHBondContact O-N 2.96Å; L282-L285 HydrophobicContact CD1-CD1 4.06Å; L282-L285 PolarHBondContact O-N 3.5Å
283	S	95.9	Very high	95.4	Very high	50 Å²	50	52.7 Å²	52.7	35%	0.35	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-66.5	-21.8	176.3	54.4	0	0	0	0	114.8	P95 H97 K281	P95-S283 VanDerWaalsContact CG-CA 3.4Å; H97-S283 PolarHBondContact CE1-O 3.37Å; K281-S283 PolarHBondContact O-N 2.51Å; K281-S283 VanDerWaalsContact O-N 3.14Å
284	D	95.8	Very high	95.1	Very high	100 Å²	100	58 Å²	58	54%	0.535	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-95.5	-9.4	-173.7	-44.9	-30.9	0	0	0	110.8	K281 L282	K281-D284 WeakPolarHBondContact CB-OD2 3.45Å; K281-D284 PolarHBondContact N-OD2 2.85Å; K281-D284 PolarHBondContact O-N 3.32Å; L282-D284 PolarHBondContact O-N 2.96Å
285	L	97.8	Very high	95.1	Very high	15 Å²	15	60 Å²	60	8%	0.079	32%	0.323	C	S	.	.	S	Bend	trans	-79.9	142	-177.9	-63.4	-177.6	0	0	0	111.7	D272 T273 T280 L282	D272-L285 HydrophobicContact CB-CD1 4.38Å; D272-L285 WeakPolarHBondContact OD1-CD1 3.39Å; T273-L285 WeakPolarHBondContact OG1-CD2 3.34Å; T280-L285 HydrophobicContact CG2-CD2 3.53Å; T280-L285 HydrophobicContact CG2-CG 4.23Å; L282-L285 HydrophobicContact CD1-CD1 4.06Å; L282-L285 PolarHBondContact O-N 3.5Å
286	P	96.8	Very high	95.3	Very high	56 Å²	56	60.6 Å²	60.6	36%	0.364	32%	0.321	S	S	.	.			trans	-72.2	141.1	-176.8	29	-34.2	0	0	0	112.2	L288 A298	P286-L288 HydrophobicContact CB-CD2 4.24Å; P286-A298 HydrophobicContact CG-CB 3.61Å
287	L	98	Very high	95.5	Very high	39 Å²	39	61.8 Å²	61.8	20%	0.204	33%	0.326	C	S	.	.			trans	-87.5	104.1	164.4	-74.1	172.6	0	0	0	109.3	W98 F261 V268 C270	W98-L287 HydrophobicContact CD2-CD2 4.19Å; W98-L287 HydrophobicContact CG-CD1 4.39Å; W98-L287 HydrophobicContact CH2-CD2 4.48Å; W98-L287 HydrophobicContact CZ2-CD2 3.85Å; W98-L287 HydrophobicContact CZ2-CG 4.44Å; F261-L287 HydrophobicContact CE1-CD2 3.66Å; F261-L287 HydrophobicContact CZ-CD1 3.94Å; F261-L287 HydrophobicContact CZ-CD2 3.67Å; F261-L287 HydrophobicContact CZ-CG 4.49Å; V268-L287 HydrophobicContact CB-CB 4.29Å; V268-L287 HydrophobicContact CB-CD2 4.29Å; V268-L287 HydrophobicContact CG2-CD1 4.49Å; V268-L287 HydrophobicContact CG2-CD2 4.02Å; C270-L287 HydrophobicContact CB-CD2 4.04Å
288	L	98.4	Very high	95.8	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-88.8	140.1	178.1	-59.7	-177.1	0	0	0	110.9	V268 A269 P286 Q296 A298 Y308 V310	V268-L288 CarbonylContact C-O 3.54Å; V268-L288 WeakPolarHBondContact CA-O 3.14Å; A269-L288 PolarHBondContact N-O 3.2Å; A269-L288 PolarHBondContact O-N 2.94Å; P286-L288 HydrophobicContact CB-CD2 4.24Å; L288-Q296 HydrophobicContact CD2-CB 3.8Å; L288-A298 HydrophobicContact CD1-CB 3.91Å; L288-A298 HydrophobicContact CD2-CB 4.37Å; L288-A298 HydrophobicContact CG-CB 4.48Å; L288-Y308 HydrophobicContact CD1-CD2 4.05Å; L288-Y308 HydrophobicContact CD1-CE2 3.54Å; L288-V310 HydrophobicContact CB-CG1 4.39Å; L288-V310 HydrophobicContact CB-CG2 3.6Å; L288-V310 HydrophobicContact CD1-CG1 4.04Å
289	R	97.9	Very high	96.1	Very high	55 Å²	55	58.4 Å²	58.4	21%	0.208	31%	0.306	C	S	.	.			trans	-93.3	175.2	169.7	-70.4	165.2	170.4	79.8	10.5	110.2	D263 E266 V268 Y291 V293 V310	D263-R289 IonicContact OD2-CZ 3.89Å; D263-R289 IonicContact OD2-NH2 2.82Å; D263-R289 PolarHBondContact OD2-NH2 3.45Å; E266-R289 WeakPolarHBondContact OE2-CD 3.32Å; E266-R289 IonicContact OE2-NE 2.94Å; E266-R289 PolarHBondContact OE2-NE 3.4Å; V268-R289 HydrophobicContact CG1-CG 3.87Å; R289-Y291 PolarHBondContact O-N 3Å; R289-V293 HydrophobicContact CB-CB 4Å; R289-V293 HydrophobicContact CB-CG1 4.38Å; R289-V310 WeakPolarHBondContact O-CG2 3.43Å
290	D	97.7	Very high	96.4	Very high	28 Å²	28	50.3 Å²	50.3	15%	0.15	26%	0.263	C	S	.	.			trans	-49.2	131.5	163.4	-169.6	-74	0	0	0	108.8	T292 V293 V310 K311 I312	D290-T292 PolarHBondContact O-N 2.98Å; D290-T292 WeakPolarHBondContact OD1-CB 3.39Å; D290-T292 WeakPolarHBondContact OD1-CG2 3.25Å; D290-T292 PolarHBondContact OD1-N 3.49Å; D290-T292 PolarHBondContact OD1-OG1 3.39Å; D290-V293 WeakPolarHBondContact O-CA 3.48Å; D290-V293 VanDerWaalsContact O-CB 3.32Å; D290-V293 WeakPolarHBondContact O-CB 3.38Å; D290-V293 PolarHBondContact O-N 2.92Å; D290-V310 WeakPolarHBondContact CA-O 3.24Å; D290-K311 IonicContact OD1-NZ 3.15Å; D290-K311 PolarHBondContact OD1-NZ 3.34Å; D290-K311 WeakPolarHBondContact OD2-CA 3.34Å; D290-K311 IonicContact OD2-NZ 2.84Å; D290-I312 PolarHBondContact OD2-N 3.29Å
291	Y	97.7	Very high	96.4	Very high	5 Å²	5	48.3 Å²	48.3	2%	0.02	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.5	-171.9	-179.1	-116.4	0	0	0	113.9	R55 I57 M60 R289 V293 H295 Q296 T309 V310	R55-Y291 PolarHBondContact NE-OH 3.39Å; R55-Y291 PolarHBondContact NH2-OH 3.46Å; I57-Y291 HydrophobicContact CG2-CE1 4.42Å; M60-Y291 HydrophobicContact CB-CD1 3.68Å; M60-Y291 HydrophobicContact CB-CE1 3.71Å; M60-Y291 HydrophobicContact CB-CG 4.48Å; M60-Y291 HydrophobicContact CG-CD1 3.89Å; M60-Y291 HydrophobicContact CG-CE1 3.35Å; M60-Y291 HydrophobicContact SD-CD1 4.24Å; M60-Y291 HydrophobicContact SD-CE1 3.45Å; M60-Y291 WeakPolarHBondContact SD-CE1 3.43Å; M60-Y291 HydrophobicContact SD-CE2 4.25Å; M60-Y291 PolarHBondContact SD-OH 2.93Å; R289-Y291 PolarHBondContact O-N 3Å; Y291-V293 PolarHBondContact O-N 2.86Å; Y291-V293 VanDerWaalsContact O-N 3.16Å; Y291-H295 HydrophobicContact CD2-CB 4.45Å; Y291-H295 HydrophobicContact CE2-CB 3.93Å; Y291-H295 VanDerWaalsContact CE2-O 3.32Å; Y291-H295 WeakPolarHBondContact CE2-O 3.43Å; Y291-H295 WeakPolarHBondContact O-CA 3.3Å; Y291-H295 PolarHBondContact O-CD2 2.95Å; Y291-H295 PolarHBondContact O-N 2.89Å; Y291-H295 VanDerWaalsContact O-N 3.12Å; Y291-Q296 WeakPolarHBondContact CD2-O 3.39Å; Y291-T309 HydrophobicContact CD2-CG2 3.37Å; Y291-T309 HydrophobicContact CE2-CG2 3.45Å; Y291-T309 VanDerWaalsContact CE2-CG2 3.45Å; Y291-T309 HydrophobicContact CG-CG2 4.03Å; Y291-V310 PolarHBondContact N-O 2.72Å
292	T	95.5	Very high	96.1	Very high	68 Å²	68	49.3 Å²	49.3	42%	0.417	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.6	172.5	56	0	0	0	0	113.2	D59 D290	D59-T292 HydrophobicContact CB-CG2 4.28Å; D59-T292 VanDerWaalsContact CG-CG2 3.49Å; D59-T292 WeakPolarHBondContact OD1-CG2 3.36Å; D290-T292 PolarHBondContact O-N 2.98Å; D290-T292 WeakPolarHBondContact OD1-CB 3.39Å; D290-T292 WeakPolarHBondContact OD1-CG2 3.25Å; D290-T292 PolarHBondContact OD1-N 3.49Å; D290-T292 PolarHBondContact OD1-OG1 3.39Å
293	V	93.3	Very high	95.8	Very high	35 Å²	35	52.1 Å²	52.1	21%	0.212	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	111.7	173.2	-170.1	0	0	0	0	109.7	R289 D290 Y291 H295	R289-V293 HydrophobicContact CB-CB 4Å; R289-V293 HydrophobicContact CB-CG1 4.38Å; D290-V293 WeakPolarHBondContact O-CA 3.48Å; D290-V293 VanDerWaalsContact O-CB 3.32Å; D290-V293 WeakPolarHBondContact O-CB 3.38Å; D290-V293 PolarHBondContact O-N 2.92Å; Y291-V293 PolarHBondContact O-N 2.86Å; Y291-V293 VanDerWaalsContact O-N 3.16Å; V293-H295 PolarHBondContact O-N 3.12Å
294	N	90.6	Very high	95.6	Very high	115 Å²	115	50.1 Å²	50.1	62%	0.615	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	-1.4	177.1	-59.8	-27.6	0	0	0	116.6	Q296	N294-Q296 VanDerWaalsContact C-N 3.3Å; N294-Q296 HydrophobicContact CB-CG 4.09Å; N294-Q296 PolarHBondContact O-N 3.33Å
295	H	96.1	Very high	95.5	Very high	67 Å²	67	50.8 Å²	50.8	31%	0.31	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	37.8	169.1	-40.2	120.2	0	0	0	113.8	R55 Y291 V293	R55-H295 HydrophobicContact CG-CB 4.44Å; R55-H295 PolarHBondContact NH1-CD2 3.32Å; R55-H295 PolarHBondContact NH1-NE2 3.45Å; Y291-H295 HydrophobicContact CD2-CB 4.45Å; Y291-H295 HydrophobicContact CE2-CB 3.93Å; Y291-H295 VanDerWaalsContact CE2-O 3.32Å; Y291-H295 WeakPolarHBondContact CE2-O 3.43Å; Y291-H295 WeakPolarHBondContact O-CA 3.3Å; Y291-H295 PolarHBondContact O-CD2 2.95Å; Y291-H295 PolarHBondContact O-N 2.89Å; Y291-H295 VanDerWaalsContact O-N 3.12Å; V293-H295 PolarHBondContact O-N 3.12Å
296	Q	96.8	Very high	95.4	Very high	70 Å²	70	50.5 Å²	50.5	33%	0.327	26%	0.256	S	S	.	.			trans	-79	143.4	-176.7	-61.2	-178.8	-46	0	0	112	L288 Y291 N294	L288-Q296 HydrophobicContact CD2-CB 3.8Å; Y291-Q296 WeakPolarHBondContact CD2-O 3.39Å; N294-Q296 VanDerWaalsContact C-N 3.3Å; N294-Q296 HydrophobicContact CB-CG 4.09Å; N294-Q296 PolarHBondContact O-N 3.33Å
297	Y	97.9	Very high	95.5	Very high	99 Å²	99	50.7 Å²	50.7	39%	0.388	25%	0.25	S	C	.	.			trans	-132.1	163.3	172	59.6	-97.1	0	0	0	109.9	P42 T43 Y307 Y308	P42-Y297 HydrophobicContact CB-CD1 3.98Å; P42-Y297 HydrophobicContact CB-CG 4.1Å; P42-Y297 HydrophobicContact CG-CD1 4.42Å; P42-Y297 HydrophobicContact CG-CG 4.04Å; T43-Y297 HydrophobicContact CG2-CD2 3.95Å; T43-Y297 HydrophobicContact CG2-CE2 3.55Å; Y297-Y307 HydrophobicContact CD2-CD1 4.04Å; Y297-Y307 HydrophobicContact CE2-CD1 4.25Å; Y297-Y308 CarbonylContact C-O 3.51Å; Y297-Y308 VanDerWaalsContact CA-O 3.24Å; Y297-Y308 WeakPolarHBondContact CA-O 3.28Å; Y297-Y308 WeakPolarHBondContact CB-O 3.5Å
298	A	98.1	Very high	95.5	Very high	10 Å²	10	49 Å²	49	8%	0.083	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	169.4	174.5	0	0	0	0	0	110.9	P286 L288 Y307 Y308	P286-A298 HydrophobicContact CG-CB 3.61Å; L288-A298 HydrophobicContact CD1-CB 3.91Å; L288-A298 HydrophobicContact CD2-CB 4.37Å; L288-A298 HydrophobicContact CG-CB 4.48Å; A298-Y307 CarbonylContact O-C 3.25Å; A298-Y307 WeakPolarHBondContact O-CA 3.21Å; A298-Y308 HydrophobicContact CB-CD1 4.5Å; A298-Y308 HydrophobicContact CB-CE1 3.81Å; A298-Y308 HydrophobicContact CB-CE2 4.16Å; A298-Y308 PolarHBondContact N-O 3.23Å; A298-Y308 WeakPolarHBondContact O-CD1 3.49Å; A298-Y308 PolarHBondContact O-N 3.43Å
299	S	97.2	Very high	95.5	Very high	40 Å²	40	48.8 Å²	48.8	28%	0.28	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.2	177.8	-179.9	0	0	0	0	110.9	G301	S299-G301 PolarHBondContact OG-N 2.89Å
300	F	97	Very high	95.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-72.7	-17.4	168.1	-73.8	-73.1	0	0	0	113.1	L115 F116 Y256 I271 T273 N277 T304 L306 Y308 I321	L115-F300 HydrophobicContact CD1-CE1 4.04Å; L115-F300 HydrophobicContact CD1-CZ 3.83Å; F116-F300 HydrophobicContact CE1-CB 4.16Å; F116-F300 AromaticContact CE1-CD1 3.98Å; F116-F300 HydrophobicContact CE1-CD1 3.98Å; F116-F300 AromaticContact CE1-CD2 3.58Å; F116-F300 HydrophobicContact CE1-CD2 3.58Å; F116-F300 HydrophobicContact CE1-CE1 4.23Å; F116-F300 AromaticContact CE1-CE2 3.84Å; F116-F300 HydrophobicContact CE1-CE2 3.84Å; F116-F300 AromaticContact CE1-CG 3.64Å; F116-F300 HydrophobicContact CE1-CG 3.64Å; F116-F300 HydrophobicContact CE1-CZ 4.17Å; F116-F300 HydrophobicContact CZ-CB 3.85Å; F116-F300 HydrophobicContact CZ-CD1 4.19Å; F116-F300 HydrophobicContact CZ-CD2 4.15Å; F116-F300 AromaticContact CZ-CG 3.82Å; F116-F300 HydrophobicContact CZ-CG 3.82Å; Y256-F300 HydrophobicContact CD2-CD1 4.36Å; Y256-F300 HydrophobicContact CD2-CE1 4.13Å; Y256-F300 HydrophobicContact CE1-CD1 4.18Å; Y256-F300 AromaticContact CE2-CD1 3.72Å; Y256-F300 HydrophobicContact CE2-CD1 3.72Å; Y256-F300 AromaticContact CE2-CE1 3.83Å; Y256-F300 HydrophobicContact CE2-CE1 3.83Å; Y256-F300 AromaticContact CZ-CD1 3.62Å; I271-F300 HydrophobicContact CG2-CE1 4.19Å; T273-F300 HydrophobicContact CG2-CD1 4.14Å; N277-F300 PolarHBondContact ND2-O 2.98Å; F300-T304 HydrophobicContact CB-CG2 4.12Å; F300-T304 WeakPolarHBondContact CB-OG1 3.35Å; F300-L306 HydrophobicContact CD2-CB 4.14Å; F300-L306 HydrophobicContact CD2-CD2 3.93Å; F300-L306 HydrophobicContact CD2-CG 4.06Å; F300-L306 HydrophobicContact CE2-CD2 4.07Å; F300-L306 HydrophobicContact CE2-CG 4.38Å; F300-L306 PolarHBondContact N-O 3.24Å; F300-Y308 HydrophobicContact CD1-CD1 4.03Å; F300-Y308 HydrophobicContact CD1-CE1 4.04Å; F300-Y308 AromaticContact CD2-CD1 3.62Å; F300-Y308 HydrophobicContact CD2-CD1 3.62Å; F300-Y308 HydrophobicContact CD2-CE1 4.35Å; F300-Y308 HydrophobicContact CD2-CG 4.41Å; F300-Y308 AromaticContact CE1-CD1 3.85Å; F300-Y308 HydrophobicContact CE1-CD1 3.85Å; F300-Y308 HydrophobicContact CE1-CE1 4.04Å; F300-Y308 HydrophobicContact CE1-CG 4.37Å; F300-Y308 AromaticContact CE2-CD1 3.44Å; F300-Y308 HydrophobicContact CE2-CD1 3.44Å; F300-Y308 VanDerWaalsContact CE2-CD1 3.44Å; F300-Y308 HydrophobicContact CE2-CE1 4.38Å; F300-Y308 AromaticContact CE2-CG 3.8Å; F300-Y308 HydrophobicContact CE2-CG 3.8Å; F300-Y308 AromaticContact CG-CD1 3.92Å; F300-Y308 HydrophobicContact CG-CD1 3.92Å; F300-Y308 HydrophobicContact CG-CE1 4.19Å; F300-Y308 AromaticContact CZ-CD1 3.54Å; F300-Y308 HydrophobicContact CZ-CD1 3.54Å; F300-Y308 HydrophobicContact CZ-CE1 4.21Å; F300-Y308 AromaticContact CZ-CG 3.75Å; F300-Y308 HydrophobicContact CZ-CG 3.75Å; F300-I321 HydrophobicContact CZ-CG2 3.87Å
301	G	93	Very high	95.6	Very high	5 Å²	5	45 Å²	45	5%	0.052	22%	0.223	C	C	.	.			trans	144.2	152.7	-177.6	0	0	0	0	0	111.4	N277 S299 Q303 T304 Q305	N277-G301 VanDerWaalsContact OD1-CA 3.24Å; N277-G301 WeakPolarHBondContact OD1-CA 3.46Å; S299-G301 PolarHBondContact OG-N 2.89Å; G301-Q303 VanDerWaalsContact C-N 3.28Å; G301-Q303 PolarHBondContact O-N 3.27Å; G301-T304 PolarHBondContact N-OG1 3.24Å; G301-T304 PolarHBondContact O-N 2.82Å; G301-T304 PolarHBondContact O-OG1 3.16Å; G301-Q305 PolarHBondContact O-N 3.5Å
302	E	90.4	Very high	95.6	Very high	163 Å²	163	45.8 Å²	45.8	76%	0.762	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-38.7	-177.7	-170.7	179.1	178	0	0	111.8	T304 Q305	E302-T304 PolarHBondContact O-N 2.94Å; E302-T304 VanDerWaalsContact O-N 3.17Å; E302-Q305 WeakPolarHBondContact O-CG 3.39Å; E302-Q305 PolarHBondContact O-N 2.7Å; E302-Q305 PolarHBondContact O-NE2 2.88Å
303	Q	89.2	Confident	95.7	Very high	71 Å²	71	45.4 Å²	45.4	33%	0.332	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.4	175.9	63.1	-79.3	-8.6	0	0	113.4	R123 L124 Y276 N277 G301	R123-Q303 PolarHBondContact NH1-O 3.34Å; R123-Q303 VanDerWaalsContact NH1-O 3.15Å; R123-Q303 PolarHBondContact NH2-O 3.4Å; L124-Q303 HydrophobicContact CD2-CG 4.33Å; Y276-Q303 PolarHBondContact O-NE2 3.31Å; Y276-Q303 VanDerWaalsContact O-NE2 3.16Å; N277-Q303 PolarHBondContact OD1-NE2 3.04Å; G301-Q303 VanDerWaalsContact C-N 3.28Å; G301-Q303 PolarHBondContact O-N 3.27Å
304	T	93.1	Very high	95.8	Very high	7 Å²	7	49 Å²	49	4%	0.043	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-32.6	-178.1	71.2	0	0	0	0	112.2	F116 L124 F300 G301 E302 L306	F116-T304 HydrophobicContact CE2-CG2 3.83Å; F116-T304 HydrophobicContact CZ-CG2 3.92Å; L124-T304 HydrophobicContact CD1-CG2 4.36Å; F300-T304 HydrophobicContact CB-CG2 4.12Å; F300-T304 WeakPolarHBondContact CB-OG1 3.35Å; G301-T304 PolarHBondContact N-OG1 3.24Å; G301-T304 PolarHBondContact O-N 2.82Å; G301-T304 PolarHBondContact O-OG1 3.16Å; E302-T304 PolarHBondContact O-N 2.94Å; E302-T304 VanDerWaalsContact O-N 3.17Å; T304-L306 PolarHBondContact O-N 3.06Å; T304-L306 VanDerWaalsContact O-N 3.15Å; T304-L306 PolarHBondContact OG1-N 3.09Å
305	Q	92.6	Very high	96.1	Very high	115 Å²	115	49.1 Å²	49.1	54%	0.537	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	31.9	-169.2	-63.2	-65.3	-47.9	0	0	112.1	G301 E302	G301-Q305 PolarHBondContact O-N 3.5Å; E302-Q305 WeakPolarHBondContact O-CG 3.39Å; E302-Q305 PolarHBondContact O-N 2.7Å; E302-Q305 PolarHBondContact O-NE2 2.88Å
306	L	96.8	Very high	96.1	Very high	9 Å²	9	46 Å²	46	5%	0.047	22%	0.224	C	C	.	.			trans	-117.7	126.5	-177.4	-168.8	69.2	0	0	0	109.5	F116 L120 F300 T304 T323	F116-L306 HydrophobicContact CD1-CD2 3.38Å; F116-L306 HydrophobicContact CE1-CD2 3.68Å; F116-L306 HydrophobicContact CG-CD2 4.07Å; L120-L306 HydrophobicContact CD2-CB 4.17Å; L120-L306 HydrophobicContact CD2-CD2 4.02Å; F300-L306 HydrophobicContact CD2-CB 4.14Å; F300-L306 HydrophobicContact CD2-CD2 3.93Å; F300-L306 HydrophobicContact CD2-CG 4.06Å; F300-L306 HydrophobicContact CE2-CD2 4.07Å; F300-L306 HydrophobicContact CE2-CG 4.38Å; F300-L306 PolarHBondContact N-O 3.24Å; T304-L306 PolarHBondContact O-N 3.06Å; T304-L306 VanDerWaalsContact O-N 3.15Å; T304-L306 PolarHBondContact OG1-N 3.09Å; L306-T323 VanDerWaalsContact CD1-OG1 3.27Å; L306-T323 WeakPolarHBondContact CD1-OG1 3.31Å; L306-T323 HydrophobicContact CD2-CG2 4.39Å; L306-T323 WeakPolarHBondContact CD2-OG1 3.42Å; L306-T323 VanDerWaalsContact CG-OG1 3.23Å; L306-T323 WeakPolarHBondContact CG-OG1 3.3Å
307	Y	98.2	Very high	96.2	Very high	60 Å²	60	48.4 Å²	48.4	24%	0.235	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	147.4	-178.8	-61.3	-92.5	0	0	0	110.4	T43 Y297 A298 T323	T43-Y307 HydrophobicContact CG2-CD1 3.57Å; T43-Y307 HydrophobicContact CG2-CD2 3.55Å; T43-Y307 HydrophobicContact CG2-CE1 3.88Å; T43-Y307 HydrophobicContact CG2-CE2 3.87Å; T43-Y307 HydrophobicContact CG2-CG 3.39Å; Y297-Y307 HydrophobicContact CD2-CD1 4.04Å; Y297-Y307 HydrophobicContact CE2-CD1 4.25Å; A298-Y307 CarbonylContact O-C 3.25Å; A298-Y307 WeakPolarHBondContact O-CA 3.21Å; Y307-T323 PolarHBondContact O-OG1 3.46Å; Y307-T323 VanDerWaalsContact O-OG1 3.14Å
308	Y	98.6	Very high	96.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.7	-178.9	68.4	-85.8	0	0	0	111.8	I271 L288 Y297 A298 F300 V310 I321 V322	I271-Y308 HydrophobicContact CB-CE2 4.2Å; I271-Y308 HydrophobicContact CD1-CD2 4.43Å; I271-Y308 HydrophobicContact CD1-CE2 3.63Å; I271-Y308 HydrophobicContact CG1-CE2 3.89Å; L288-Y308 HydrophobicContact CD1-CD2 4.05Å; L288-Y308 HydrophobicContact CD1-CE2 3.54Å; Y297-Y308 CarbonylContact C-O 3.51Å; Y297-Y308 VanDerWaalsContact CA-O 3.24Å; Y297-Y308 WeakPolarHBondContact CA-O 3.28Å; Y297-Y308 WeakPolarHBondContact CB-O 3.5Å; A298-Y308 HydrophobicContact CB-CD1 4.5Å; A298-Y308 HydrophobicContact CB-CE1 3.81Å; A298-Y308 HydrophobicContact CB-CE2 4.16Å; A298-Y308 PolarHBondContact N-O 3.23Å; A298-Y308 WeakPolarHBondContact O-CD1 3.49Å; A298-Y308 PolarHBondContact O-N 3.43Å; F300-Y308 HydrophobicContact CD1-CD1 4.03Å; F300-Y308 HydrophobicContact CD1-CE1 4.04Å; F300-Y308 AromaticContact CD2-CD1 3.62Å; F300-Y308 HydrophobicContact CD2-CD1 3.62Å; F300-Y308 HydrophobicContact CD2-CE1 4.35Å; F300-Y308 HydrophobicContact CD2-CG 4.41Å; F300-Y308 AromaticContact CE1-CD1 3.85Å; F300-Y308 HydrophobicContact CE1-CD1 3.85Å; F300-Y308 HydrophobicContact CE1-CE1 4.04Å; F300-Y308 HydrophobicContact CE1-CG 4.37Å; F300-Y308 AromaticContact CE2-CD1 3.44Å; F300-Y308 HydrophobicContact CE2-CD1 3.44Å; F300-Y308 VanDerWaalsContact CE2-CD1 3.44Å; F300-Y308 HydrophobicContact CE2-CE1 4.38Å; F300-Y308 AromaticContact CE2-CG 3.8Å; F300-Y308 HydrophobicContact CE2-CG 3.8Å; F300-Y308 AromaticContact CG-CD1 3.92Å; F300-Y308 HydrophobicContact CG-CD1 3.92Å; F300-Y308 HydrophobicContact CG-CE1 4.19Å; F300-Y308 AromaticContact CZ-CD1 3.54Å; F300-Y308 HydrophobicContact CZ-CD1 3.54Å; F300-Y308 HydrophobicContact CZ-CE1 4.21Å; F300-Y308 AromaticContact CZ-CG 3.75Å; F300-Y308 HydrophobicContact CZ-CG 3.75Å; Y308-V310 HydrophobicContact CD2-CG1 4.19Å; Y308-V310 HydrophobicContact CE2-CG1 4.26Å; Y308-I321 HydrophobicContact CD2-CG2 3.96Å; Y308-I321 HydrophobicContact CG-CG2 4.12Å; Y308-V322 CarbonylContact C-O 3.52Å; Y308-V322 VanDerWaalsContact CA-O 3.27Å; Y308-V322 WeakPolarHBondContact CA-O 3.46Å
309	T	98.7	Very high	96.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	176.1	167.6	63.1	0	0	0	0	108.1	P42 M60 Y291 V322	P42-T309 HydrophobicContact CB-CG2 4.2Å; P42-T309 HydrophobicContact CG-CG2 4.27Å; M60-T309 HydrophobicContact CE-CG2 4.47Å; M60-T309 HydrophobicContact SD-CG2 3.97Å; Y291-T309 HydrophobicContact CD2-CG2 3.37Å; Y291-T309 HydrophobicContact CE2-CG2 3.45Å; Y291-T309 VanDerWaalsContact CE2-CG2 3.45Å; Y291-T309 HydrophobicContact CG-CG2 4.03Å; T309-V322 PolarHBondContact N-O 3.4Å; T309-V322 PolarHBondContact O-N 3.46Å
310	V	98.7	Very high	96.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.5	177.7	-57	0	0	0	0	111.8	A269 I271 L288 R289 D290 Y291 Y308 L319 Q320	A269-V310 HydrophobicContact CB-CG2 4.27Å; I271-V310 HydrophobicContact CD1-CG1 3.8Å; L288-V310 HydrophobicContact CB-CG1 4.39Å; L288-V310 HydrophobicContact CB-CG2 3.6Å; L288-V310 HydrophobicContact CD1-CG1 4.04Å; R289-V310 WeakPolarHBondContact O-CG2 3.43Å; D290-V310 WeakPolarHBondContact CA-O 3.24Å; Y291-V310 PolarHBondContact N-O 2.72Å; Y308-V310 HydrophobicContact CD2-CG1 4.19Å; Y308-V310 HydrophobicContact CE2-CG1 4.26Å; V310-L319 HydrophobicContact CB-CD1 3.86Å; V310-L319 HydrophobicContact CG1-CD1 4.02Å; V310-Q320 CarbonylContact C-O 3.59Å; V310-Q320 VanDerWaalsContact CA-O 3.26Å; V310-Q320 WeakPolarHBondContact CA-O 3.39Å
311	K	98.3	Very high	96.4	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.013	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145.8	160.5	-70.2	-166	165.5	-76	0	109.9	D59 M60 I61 D290 F313 Q320 Y398	D59-K311 VanDerWaalsContact CG-NZ 3.33Å; D59-K311 WeakPolarHBondContact OD1-CE 3.18Å; D59-K311 IonicContact OD1-NZ 3.9Å; D59-K311 PolarHBondContact OD1-NZ 3.39Å; D59-K311 IonicContact OD2-NZ 2.66Å; D59-K311 PolarHBondContact OD2-NZ 2.79Å; M60-K311 WeakPolarHBondContact O-CE 3.39Å; I61-K311 HydrophobicContact CB-CD 4.01Å; I61-K311 HydrophobicContact CD1-CD 4.42Å; I61-K311 HydrophobicContact CG1-CD 4.03Å; D290-K311 IonicContact OD1-NZ 3.15Å; D290-K311 PolarHBondContact OD1-NZ 3.34Å; D290-K311 WeakPolarHBondContact OD2-CA 3.34Å; D290-K311 IonicContact OD2-NZ 2.84Å; K311-F313 HydrophobicContact CB-CD2 4.21Å; K311-F313 HydrophobicContact CB-CE2 3.47Å; K311-F313 VanDerWaalsContact CB-CE2 3.47Å; K311-F313 HydrophobicContact CB-CZ 3.71Å; K311-F313 HydrophobicContact CD-CE1 4.39Å; K311-F313 HydrophobicContact CD-CE2 4.1Å; K311-F313 HydrophobicContact CD-CZ 3.54Å; K311-F313 HydrophobicContact CG-CE2 4.44Å; K311-F313 HydrophobicContact CG-CZ 4.28Å; K311-Q320 HydrophobicContact CB-CB 4.24Å; K311-Q320 PolarHBondContact N-O 3.23Å; K311-Q320 PolarHBondContact O-N 3.03Å; K311-Y398 WeakPolarHBondContact CE-OH 3.4Å; K311-Y398 PolarHBondContact NZ-OH 3.48Å
312	I	98.2	Very high	96.7	Very high	22 Å²	22	42.8 Å²	42.8	11%	0.113	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.1	-178.6	-53.4	174.1	0	0	0	108.7	V260 W267 A269 D290 L319	V260-I312 HydrophobicContact CG1-CG2 4.14Å; W267-I312 HydrophobicContact CB-CB 4.28Å; W267-I312 HydrophobicContact CB-CD1 3.82Å; W267-I312 HydrophobicContact CB-CG2 3.82Å; W267-I312 HydrophobicContact CG-CG2 4.2Å; W267-I312 WeakPolarHBondContact O-CD1 2.78Å; A269-I312 HydrophobicContact CB-CD1 3.94Å; A269-I312 HydrophobicContact CB-CG1 4.43Å; D290-I312 PolarHBondContact OD2-N 3.29Å; I312-L319 HydrophobicContact CG1-CD1 4.25Å
313	F	96.8	Very high	97	Very high	60 Å²	60	35.1 Å²	35.1	26%	0.263	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	166.5	-177.4	-56.5	-80	0	0	0	111.7	I61 K311 N315 G316 K317 L318 Q320	I61-F313 HydrophobicContact CD1-CZ 4.21Å; K311-F313 HydrophobicContact CB-CD2 4.21Å; K311-F313 HydrophobicContact CB-CE2 3.47Å; K311-F313 VanDerWaalsContact CB-CE2 3.47Å; K311-F313 HydrophobicContact CB-CZ 3.71Å; K311-F313 HydrophobicContact CD-CE1 4.39Å; K311-F313 HydrophobicContact CD-CE2 4.1Å; K311-F313 HydrophobicContact CD-CZ 3.54Å; K311-F313 HydrophobicContact CG-CE2 4.44Å; K311-F313 HydrophobicContact CG-CZ 4.28Å; F313-N315 VanDerWaalsContact C-N 3.31Å; F313-N315 PolarHBondContact O-N 3.43Å; F313-G316 PolarHBondContact O-N 3.05Å; F313-K317 PolarHBondContact O-N 2.86Å; F313-L318 HydrophobicContact CB-CB 4.14Å; F313-L318 HydrophobicContact CB-CD2 4.19Å; F313-L318 HydrophobicContact CB-CG 4.42Å; F313-L318 HydrophobicContact CD2-CD2 4.12Å; F313-L318 HydrophobicContact CD2-CG 4.34Å; F313-L318 PolarHBondContact N-O 2.85Å; F313-L318 PolarHBondContact O-N 2.88Å; F313-Q320 HydrophobicContact CD2-CB 4.37Å; F313-Q320 HydrophobicContact CE2-CB 3.97Å
314	D	96.4	Very high	97.4	Very high	109 Å²	109	32.5 Å²	32.5	58%	0.583	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	41.4	170.9	-61.9	-20	0	0	0	114.3	K317	D314-K317 HydrophobicContact CB-CB 3.91Å; D314-K317 HydrophobicContact CB-CD 4.35Å; D314-K317 WeakPolarHBondContact O-CB 3.46Å; D314-K317 VanDerWaalsContact O-CD 3.32Å; D314-K317 WeakPolarHBondContact O-CD 3.31Å; D314-K317 WeakPolarHBondContact O-CG 3.45Å; D314-K317 PolarHBondContact O-N 2.83Å
315	N	95.9	Very high	97.4	Very high	119 Å²	119	32.6 Å²	32.6	64%	0.636	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	53.7	-177.5	-58.7	-47.5	0	0	0	111.9	W267 F313 K317	W267-N315 VanDerWaalsContact CE2-C 3.43Å; W267-N315 VanDerWaalsContact CH2-O 3.24Å; W267-N315 WeakPolarHBondContact CH2-O 3.21Å; W267-N315 HydrophobicContact CZ2-CB 3.96Å; W267-N315 WeakPolarHBondContact CZ2-O 3.45Å; F313-N315 VanDerWaalsContact C-N 3.31Å; F313-N315 PolarHBondContact O-N 3.43Å; N315-K317 VanDerWaalsContact C-N 3.26Å; N315-K317 PolarHBondContact O-N 3.08Å
316	G	96.9	Very high	97.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	6.7	178	0	0	0	0	0	115.2	M71 R106 F313	M71-G316 WeakPolarHBondContact CB-O 3.35Å; R106-G316 WeakPolarHBondContact CD-O 3.49Å; F313-G316 PolarHBondContact O-N 3.05Å
317	K	98.2	Very high	97.3	Very high	122 Å²	122	33 Å²	33	53%	0.53	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-24	179.1	-67.5	172.7	-172.4	173.1	0	112.9	M71 F313 D314 N315	M71-K317 WeakPolarHBondContact CB-O 3.38Å; M71-K317 PolarHBondContact N-O 3.42Å; F313-K317 PolarHBondContact O-N 2.86Å; D314-K317 HydrophobicContact CB-CB 3.91Å; D314-K317 HydrophobicContact CB-CD 4.35Å; D314-K317 WeakPolarHBondContact O-CB 3.46Å; D314-K317 VanDerWaalsContact O-CD 3.32Å; D314-K317 WeakPolarHBondContact O-CD 3.31Å; D314-K317 WeakPolarHBondContact O-CG 3.45Å; D314-K317 PolarHBondContact O-N 2.83Å; N315-K317 VanDerWaalsContact C-N 3.26Å; N315-K317 PolarHBondContact O-N 3.08Å
318	L	98.5	Very high	97.2	Very high	33 Å²	33	34.8 Å²	34.8	17%	0.173	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114	178.3	176.9	65.1	0	0	0	108.7	D68 F313	D68-L318 HydrophobicContact CB-CD1 4.03Å; F313-L318 HydrophobicContact CB-CB 4.14Å; F313-L318 HydrophobicContact CB-CD2 4.19Å; F313-L318 HydrophobicContact CB-CG 4.42Å; F313-L318 HydrophobicContact CD2-CD2 4.12Å; F313-L318 HydrophobicContact CD2-CG 4.34Å; F313-L318 PolarHBondContact N-O 2.85Å; F313-L318 PolarHBondContact O-N 2.88Å
319	L	98.8	Very high	97.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	138	165.4	170.7	65.6	0	0	0	107.5	V69 M71 C258 V260 A269 I271 V310 I312 I321	V69-L319 HydrophobicContact CB-CB 4.15Å; V69-L319 HydrophobicContact CB-CD2 4.46Å; V69-L319 HydrophobicContact CB-CG 4.49Å; V69-L319 PolarHBondContact N-O 3.29Å; V69-L319 PolarHBondContact O-N 2.73Å; M71-L319 HydrophobicContact CG-CB 3.81Å; M71-L319 HydrophobicContact SD-CB 3.88Å; M71-L319 HydrophobicContact SD-CD2 4.3Å; C258-L319 HydrophobicContact CB-CD2 3.71Å; V260-L319 HydrophobicContact CG2-CB 3.95Å; V260-L319 HydrophobicContact CG2-CD1 4.27Å; V260-L319 HydrophobicContact CG2-CD2 4.16Å; V260-L319 HydrophobicContact CG2-CG 4.36Å; A269-L319 HydrophobicContact CB-CD1 3.58Å; A269-L319 HydrophobicContact CB-CD2 4.4Å; I271-L319 HydrophobicContact CD1-CD2 4.28Å; V310-L319 HydrophobicContact CB-CD1 3.86Å; V310-L319 HydrophobicContact CG1-CD1 4.02Å; I312-L319 HydrophobicContact CG1-CD1 4.25Å; L319-I321 HydrophobicContact CD2-CD1 4.47Å; L319-I321 HydrophobicContact CD2-CG1 4.18Å; L319-I321 HydrophobicContact CG-CG1 4.23Å
320	Q	98.5	Very high	97.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120	168.9	-178	-179.8	88.8	0	0	108.9	D62 G67 D68 V310 K311 F313 V322	D62-Q320 HydrophobicContact CB-CG 4.06Å; D62-Q320 PolarHBondContact O-NE2 3.46Å; G67-Q320 WeakPolarHBondContact O-CA 3.1Å; D68-Q320 WeakPolarHBondContact OD1-CG 3.44Å; D68-Q320 PolarHBondContact OD1-NE2 3.23Å; V310-Q320 CarbonylContact C-O 3.59Å; V310-Q320 VanDerWaalsContact CA-O 3.26Å; V310-Q320 WeakPolarHBondContact CA-O 3.39Å; K311-Q320 HydrophobicContact CB-CB 4.24Å; K311-Q320 PolarHBondContact N-O 3.23Å; K311-Q320 PolarHBondContact O-N 3.03Å; F313-Q320 HydrophobicContact CD2-CB 4.37Å; F313-Q320 HydrophobicContact CE2-CB 3.97Å; Q320-V322 HydrophobicContact CG-CG2 4.02Å
321	I	98.8	Very high	96.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.4	175.7	-58.3	170.5	0	0	0	107.8	G67 V69 K110 L115 I271 F300 Y308 L319	G67-I321 WeakPolarHBondContact CA-O 3.17Å; G67-I321 PolarHBondContact O-N 3.03Å; V69-I321 HydrophobicContact CG2-CD1 3.96Å; V69-I321 HydrophobicContact CG2-CG1 4.33Å; K110-I321 HydrophobicContact CB-CD1 4.29Å; K110-I321 HydrophobicContact CG-CD1 4.27Å; L115-I321 HydrophobicContact CD1-CD1 4.12Å; L115-I321 HydrophobicContact CD1-CG2 4.35Å; L115-I321 HydrophobicContact CD2-CB 4.03Å; L115-I321 HydrophobicContact CD2-CG2 4.11Å; I271-I321 HydrophobicContact CD1-CD1 4.41Å; I271-I321 HydrophobicContact CD1-CG1 4.31Å; I271-I321 HydrophobicContact CG1-CD1 3.62Å; I271-I321 HydrophobicContact CG1-CG1 4.02Å; F300-I321 HydrophobicContact CZ-CG2 3.87Å; Y308-I321 HydrophobicContact CD2-CG2 3.96Å; Y308-I321 HydrophobicContact CG-CG2 4.12Å; L319-I321 HydrophobicContact CD2-CD1 4.47Å; L319-I321 HydrophobicContact CD2-CG1 4.18Å; L319-I321 HydrophobicContact CG-CG1 4.23Å
322	V	98.7	Very high	96.8	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	114.6	-174.4	-173.3	0	0	0	0	109.2	M60 D62 Y308 T309 Q320	M60-V322 HydrophobicContact CB-CG1 4.13Å; D62-V322 HydrophobicContact CB-CG1 4.34Å; D62-V322 HydrophobicContact CB-CG2 4.11Å; Y308-V322 CarbonylContact C-O 3.52Å; Y308-V322 VanDerWaalsContact CA-O 3.27Å; Y308-V322 WeakPolarHBondContact CA-O 3.46Å; T309-V322 PolarHBondContact N-O 3.4Å; T309-V322 PolarHBondContact O-N 3.46Å; Q320-V322 HydrophobicContact CG-CG2 4.02Å
323	T	97.9	Very high	96.8	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	154.9	178.1	-177	0	0	0	0	109.5	L115 L306 Y307 K377	L115-T323 HydrophobicContact CB-CG2 4.44Å; L115-T323 VanDerWaalsContact O-CG2 3.3Å; L115-T323 WeakPolarHBondContact O-CG2 3.13Å; L306-T323 VanDerWaalsContact CD1-OG1 3.27Å; L306-T323 WeakPolarHBondContact CD1-OG1 3.31Å; L306-T323 HydrophobicContact CD2-CG2 4.39Å; L306-T323 WeakPolarHBondContact CD2-OG1 3.42Å; L306-T323 VanDerWaalsContact CG-OG1 3.23Å; L306-T323 WeakPolarHBondContact CG-OG1 3.3Å; Y307-T323 PolarHBondContact O-OG1 3.46Å; Y307-T323 VanDerWaalsContact O-OG1 3.14Å; T323-K377 WeakPolarHBondContact O-CD 3.29Å; T323-K377 WeakPolarHBondContact O-CE 3.41Å
324	N	96.1	Very high	96.7	Very high	17 Å²	17	40.3 Å²	40.3	9%	0.091	22%	0.22	C	C	.	.			trans	-77.3	147.9	172.7	66.5	-54.4	0	0	0	111.7	T38 S326	T38-N324 WeakPolarHBondContact O-CA 3.49Å; N324-S326 PolarHBondContact ND2-O 2.89Å
325	N	94.6	Very high	96.6	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.048	21%	0.206	C	C	.	.	S	Bend	trans	-102.9	-12.7	-179.6	-172.6	28.3	0	0	0	112.4	T38 P117 S379 G384	T38-N325 PolarHBondContact O-N 3.03Å; P117-N325 WeakPolarHBondContact CB-O 3.48Å; P117-N325 WeakPolarHBondContact CG-O 3.3Å; N325-S379 VanDerWaalsContact CB-OG 3.28Å; N325-S379 WeakPolarHBondContact CB-OG 3.38Å; N325-S379 WeakPolarHBondContact ND2-CB 3.48Å; N325-S379 PolarHBondContact ND2-OG 2.93Å; N325-G384 PolarHBondContact ND2-O 3.02Å
326	S	94.1	Very high	96.5	Very high	42 Å²	42	33.3 Å²	33.3	29%	0.294	19%	0.186	S	C	.	.	S	Bend	trans	-157.2	171.5	177.9	-178.8	0	0	0	0	109.5	N324 H328	N324-S326 PolarHBondContact ND2-O 2.89Å; S326-H328 VanDerWaalsContact C-N 3.27Å; S326-H328 PolarHBondContact OG-N 3.29Å
327	S	93.4	Very high	96.4	Very high	90 Å²	90	33.3 Å²	33.3	63%	0.629	19%	0.186	S	C	*	.	S	Bend	trans	-78.2	-11.8	169.3	56.8	0	0	0	0	113.2	G329 T330 H331	S327-G329 PolarHBondContact O-N 2.97Å; S327-T330 PolarHBondContact O-N 3.39Å; S327-H331 WeakPolarHBondContact O-CB 3.4Å; S327-H331 PolarHBondContact O-N 2.88Å
328	H	95.5	Very high	96.2	Very high	97 Å²	97	27.6 Å²	27.6	45%	0.449	16%	0.161	S	C	.	.	H	α-helix	trans	-61.4	-46.7	-172	-172	-95.3	0	0	0	112.9	D37 S326 T330 H331 V332	D37-H328 IonicContact OD1-CE1 2.71Å; D37-H328 IonicContact OD1-CG 3.44Å; D37-H328 IonicContact OD1-ND1 3.7Å; D37-H328 PolarHBondContact OD1-ND1 3.31Å; D37-H328 IonicContact OD2-CE1 2.66Å; D37-H328 PolarHBondContact OD2-CE1 2.77Å; D37-H328 IonicContact OD2-ND1 3.15Å; D37-H328 PolarHBondContact OD2-ND1 2.92Å; S326-H328 VanDerWaalsContact C-N 3.27Å; S326-H328 PolarHBondContact OG-N 3.29Å; H328-T330 PolarHBondContact O-N 3.19Å; H328-H331 WeakPolarHBondContact O-CA 3.5Å; H328-H331 WeakPolarHBondContact O-CB 3.2Å; H328-H331 PolarHBondContact O-N 3.46Å; H328-H331 VanDerWaalsContact O-N 3.08Å; H328-V332 WeakPolarHBondContact O-CG2 3.19Å; H328-V332 PolarHBondContact O-N 2.89Å
329	G	97	Very high	96	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-39.4	-179.9	0	0	0	0	0	112.6	D37 T38 G39 S327 H331 V332 A333	D37-G329 WeakPolarHBondContact OD1-CA 3.4Å; D37-G329 PolarHBondContact OD1-N 3.24Å; D37-G329 VanDerWaalsContact OD1-N 3.12Å; T38-G329 PolarHBondContact OG1-N 2.98Å; G39-G329 WeakPolarHBondContact O-CA 3.48Å; S327-G329 PolarHBondContact O-N 2.97Å; G329-H331 VanDerWaalsContact C-N 3.32Å; G329-H331 PolarHBondContact O-N 3.37Å; G329-V332 PolarHBondContact O-N 3.43Å; G329-A333 WeakPolarHBondContact O-CB 3.45Å; G329-A333 PolarHBondContact O-N 2.9Å
330	T	97.5	Very high	95.6	Very high	23 Å²	23	31.3 Å²	31.3	14%	0.141	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-42.4	170.9	-51.8	0	0	0	0	111.5	D41 A44 L47 S327 H328 A333 A334	D41-T330 HydrophobicContact CB-CG2 4.27Å; D41-T330 PolarHBondContact N-OG1 3.49Å; A44-T330 HydrophobicContact CB-CG2 3.63Å; L47-T330 HydrophobicContact CD1-CG2 4.08Å; S327-T330 PolarHBondContact O-N 3.39Å; H328-T330 PolarHBondContact O-N 3.19Å; T330-A333 PolarHBondContact O-N 2.94Å; T330-A334 VanDerWaalsContact O-CB 3.3Å; T330-A334 WeakPolarHBondContact O-CB 3.45Å; T330-A334 PolarHBondContact O-N 2.95Å
331	H	95.7	Very high	94.9	Very high	101 Å²	101	34 Å²	34	47%	0.468	19%	0.192	S	C	.	.	H	α-helix	trans	-64.9	-45.2	178	179.3	-115.1	0	0	0	112.1	S327 H328 G329 A333 A334 I335	S327-H331 WeakPolarHBondContact O-CB 3.4Å; S327-H331 PolarHBondContact O-N 2.88Å; H328-H331 WeakPolarHBondContact O-CA 3.5Å; H328-H331 WeakPolarHBondContact O-CB 3.2Å; H328-H331 PolarHBondContact O-N 3.46Å; H328-H331 VanDerWaalsContact O-N 3.08Å; G329-H331 VanDerWaalsContact C-N 3.32Å; G329-H331 PolarHBondContact O-N 3.37Å; H331-A333 PolarHBondContact O-N 3.18Å; H331-A334 PolarHBondContact O-N 2.97Å; H331-I335 WeakPolarHBondContact CE1-CD1 3.49Å; H331-I335 WeakPolarHBondContact O-CG1 3.33Å; H331-I335 PolarHBondContact O-N 2.92Å
332	V	95.9	Very high	93.5	Very high	50 Å²	50	36.7 Å²	36.7	30%	0.303	21%	0.207	S	C	.	.	H	α-helix	trans	-59	-47.3	175.1	171.7	0	0	0	0	111	V35 H328 G329 A334 I335 A336	V35-V332 HydrophobicContact CG1-CB 4.38Å; V35-V332 HydrophobicContact CG1-CG1 4.02Å; H328-V332 WeakPolarHBondContact O-CG2 3.19Å; H328-V332 PolarHBondContact O-N 2.89Å; G329-V332 PolarHBondContact O-N 3.43Å; V332-A334 VanDerWaalsContact C-N 3.3Å; V332-A334 PolarHBondContact O-N 3.35Å; V332-I335 PolarHBondContact O-N 3.4Å; V332-A336 WeakPolarHBondContact O-CB 3.46Å; V332-A336 PolarHBondContact O-N 2.88Å
333	A	97.9	Very high	91.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-39.3	177.1	0	0	0	0	0	112.5	V35 I40 L47 G329 T330 H331 A336 S337 I373	V35-A333 HydrophobicContact CG2-CB 4.2Å; I40-A333 HydrophobicContact CD1-CB 3.43Å; I40-A333 VanDerWaalsContact CD1-CB 3.43Å; I40-A333 HydrophobicContact CG1-CB 3.92Å; L47-A333 HydrophobicContact CD1-CB 3.7Å; L47-A333 HydrophobicContact CD2-CB 4.33Å; G329-A333 WeakPolarHBondContact O-CB 3.45Å; G329-A333 PolarHBondContact O-N 2.9Å; T330-A333 PolarHBondContact O-N 2.94Å; H331-A333 PolarHBondContact O-N 3.18Å; A333-A336 PolarHBondContact O-N 3.34Å; A333-S337 PolarHBondContact O-N 3.32Å; A333-S337 PolarHBondContact O-OG 3.46Å; A333-I373 HydrophobicContact CB-CD1 3.8Å
334	A	95.3	Very high	88.8	Confident	30 Å²	30	50.9 Å²	50.9	25%	0.248	27%	0.272	C	S	.	.	H	α-helix	trans	-67.9	-45.9	178.1	0	0	0	0	0	112.3	T330 H331 V332 A336 S337 A338 G366	T330-A334 VanDerWaalsContact O-CB 3.3Å; T330-A334 WeakPolarHBondContact O-CB 3.45Å; T330-A334 PolarHBondContact O-N 2.95Å; H331-A334 PolarHBondContact O-N 2.97Å; V332-A334 VanDerWaalsContact C-N 3.3Å; V332-A334 PolarHBondContact O-N 3.35Å; A334-A336 PolarHBondContact O-N 3.22Å; A334-S337 PolarHBondContact O-N 3.36Å; A334-A338 HydrophobicContact CB-CB 4.05Å; A334-A338 WeakPolarHBondContact O-CB 3.26Å; A334-A338 PolarHBondContact O-N 2.95Å; A334-G366 WeakPolarHBondContact O-CA 3.48Å
335	I	92.9	Very high	86.1	Confident	57 Å²	57	53.2 Å²	53.2	29%	0.292	29%	0.29	S	S	.	.	H	α-helix	trans	-54.7	-45.1	172.8	-68.5	162.7	0	0	0	110.1	L9 H331 V332 G366 V367	L9-I335 HydrophobicContact CD2-CB 4.25Å; L9-I335 HydrophobicContact CD2-CG1 3.55Å; L9-I335 HydrophobicContact CD2-CG2 4.34Å; H331-I335 WeakPolarHBondContact CE1-CD1 3.49Å; H331-I335 WeakPolarHBondContact O-CG1 3.33Å; H331-I335 PolarHBondContact O-N 2.92Å; V332-I335 PolarHBondContact O-N 3.4Å; I335-G366 CarbonylContact O-C 3.56Å; I335-G366 WeakPolarHBondContact O-CA 3.48Å; I335-V367 PolarHBondContact O-N 3.45Å
336	A	93.8	Very high	83.5	Confident	25 Å²	25	62.3 Å²	62.3	21%	0.207	33%	0.332	C	S	.	.	H	α-helix	trans	-67.2	-46.6	-176.7	0	0	0	0	0	112.3	I33 V332 A333 A334 V367 A368	I33-A336 HydrophobicContact CD1-CB 4.07Å; V332-A336 WeakPolarHBondContact O-CB 3.46Å; V332-A336 PolarHBondContact O-N 2.88Å; A333-A336 PolarHBondContact O-N 3.34Å; A334-A336 PolarHBondContact O-N 3.22Å; A336-V367 PolarHBondContact O-N 3.47Å; A336-A368 PolarHBondContact O-N 3.32Å
337	S	95.2	Very high	80.7	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-155	18.8	-164	68.2	0	0	0	0	116.5	K56 A333 A334 Y339 A368 I373	K56-S337 WeakPolarHBondContact CE-O 3.37Å; K56-S337 PolarHBondContact NZ-O 2.98Å; A333-S337 PolarHBondContact O-N 3.32Å; A333-S337 PolarHBondContact O-OG 3.46Å; A334-S337 PolarHBondContact O-N 3.36Å; S337-Y339 PolarHBondContact O-N 2.93Å; S337-A368 VanDerWaalsContact CA-O 3.31Å; S337-A368 WeakPolarHBondContact CA-O 3.47Å; S337-A368 WeakPolarHBondContact CB-O 3.43Å; S337-I373 WeakPolarHBondContact OG-CD1 3.48Å; S337-I373 VanDerWaalsContact OG-CG1 3.31Å; S337-I373 WeakPolarHBondContact OG-CG1 3.3Å
338	A	94.5	Very high	77.9	Confident	2 Å²	2	65.9 Å²	65.9	2%	0.017	35%	0.352	C	S	.	.			trans	-53.4	146	173.2	0	0	0	0	0	111.2	G46 L47 A334 F340 D365 G366	G46-A338 CarbonylContact O-C 3.57Å; G46-A338 VanDerWaalsContact O-CA 3.25Å; G46-A338 WeakPolarHBondContact O-CA 3.36Å; L47-A338 HydrophobicContact CD2-CB 4.45Å; A334-A338 HydrophobicContact CB-CB 4.05Å; A334-A338 WeakPolarHBondContact O-CB 3.26Å; A334-A338 PolarHBondContact O-N 2.95Å; A338-F340 HydrophobicContact CB-CD2 4.5Å; A338-F340 HydrophobicContact CB-CE2 3.91Å; A338-D365 CarbonylContact O-C 3.08Å; A338-D365 WeakPolarHBondContact O-CA 3.32Å; A338-G366 PolarHBondContact O-N 3.44Å
339	Y	93.5	Very high	74.6	Confident	49 Å²	49	65.8 Å²	65.8	19%	0.192	36%	0.362	C	S	.	.			trans	-138.5	124.4	173.5	175.2	-117.5	0	0	0	109.3	G46 I49 P51 S337 P341 D365 P369	G46-Y339 PolarHBondContact O-N 3Å; I49-Y339 HydrophobicContact CG1-CD1 4.36Å; P51-Y339 HydrophobicContact CB-CE1 4.31Å; P51-Y339 HydrophobicContact CB-CE2 4.26Å; P51-Y339 HydrophobicContact CG-CD1 4.19Å; P51-Y339 HydrophobicContact CG-CD2 3.76Å; P51-Y339 HydrophobicContact CG-CE1 4.21Å; P51-Y339 HydrophobicContact CG-CE2 3.79Å; P51-Y339 HydrophobicContact CG-CG 3.96Å; S337-Y339 PolarHBondContact O-N 2.93Å; Y339-P341 HydrophobicContact CE1-CB 4.01Å; Y339-P341 HydrophobicContact CE1-CG 4.5Å; Y339-D365 WeakPolarHBondContact CA-OD1 3.34Å; Y339-P369 HydrophobicContact CD2-CB 4.07Å; Y339-P369 HydrophobicContact CG-CB 4.47Å
340	F	90.6	Very high	71.6	Confident	61 Å²	61	72.5 Å²	72.5	27%	0.268	41%	0.406	S	S	.	.			trans	-113.2	101.5	176.6	-67	-85.6	0	0	0	108.6	A45 G46 A338 N342 R364 D365	A45-F340 HydrophobicContact CB-CE1 4.27Å; G46-F340 VanDerWaalsContact CA-CZ 3.48Å; A338-F340 HydrophobicContact CB-CD2 4.5Å; A338-F340 HydrophobicContact CB-CE2 3.91Å; F340-N342 PolarHBondContact O-N 3.24Å; F340-R364 HydrophobicContact CD2-CB 3.58Å; F340-R364 HydrophobicContact CE2-CB 3.87Å; F340-R364 WeakPolarHBondContact CE2-O 3.35Å; F340-R364 HydrophobicContact CG-CB 4.28Å; F340-D365 PolarHBondContact N-OD1 3.31Å
341	P	84.8	Confident	68.4	Low	57 Å²	57	76.2 Å²	76.2	37%	0.37	43%	0.432	S	S	.	.			trans	-59.4	134.4	177.2	24.3	-32.5	0	0	0	109.7	I49 Y339 H343	I49-P341 HydrophobicContact CD1-CG 4.47Å; Y339-P341 HydrophobicContact CE1-CB 4.01Å; Y339-P341 HydrophobicContact CE1-CG 4.5Å; P341-H343 PolarHBondContact O-N 3.13Å
342	N	69.6	Low	65.4	Low	56 Å²	56	75.7 Å²	75.7	30%	0.299	44%	0.44	S	S	.	.			trans	-62.9	105.6	172.5	-75.2	-25.4	0	0	0	108.2	F340 H344 L361	F340-N342 PolarHBondContact O-N 3.24Å; N342-H344 PolarHBondContact O-N 3.04Å; N342-L361 WeakPolarHBondContact OD1-CB 3.3Å
343	H	51.3	Low	62.3	Low	179 Å²	179	77.8 Å²	77.8	83%	0.829	47%	0.472	S	S	*	.			trans	-67.5	81.1	160.6	-92.9	-65.7	0	0	0	107.7	P341 S345	P341-H343 PolarHBondContact O-N 3.13Å; H343-S345 PolarHBondContact O-N 3.43Å
344	H	45.4	Very low	59.3	Low	124 Å²	124	81.4 Å²	81.4	57%	0.574	49%	0.494	S	S	*	.			trans	-67.1	89	151.5	-73.4	-73.4	0	0	0	105.6	N342 E346 S358	N342-H344 PolarHBondContact O-N 3.04Å; H344-E346 PolarHBondContact O-N 3.38Å; H344-S358 PolarHBondContact CE1-OG 3.04Å; H344-S358 PolarHBondContact NE2-OG 3.46Å
345	S	40.3	Very low	56.6	Low	66 Å²	66	85.4 Å²	85.4	46%	0.462	52%	0.515	S	S	.	.			trans	-54.9	114.2	154.7	49.1	0	0	0	0	106	H343 T347 S348	H343-S345 PolarHBondContact O-N 3.43Å; S345-T347 PolarHBondContact O-N 2.78Å; S345-S348 PolarHBondContact O-N 2.98Å; S345-S348 PolarHBondContact O-OG 2.91Å; S345-S348 VanDerWaalsContact O-OG 3.09Å; S345-S348 PolarHBondContact OG-OG 3.4Å
346	E	39.5	Very low	54	Low	200 Å²	200	87 Å²	87	94%	0.935	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	0.1	179.4	-70.4	-178.5	153.2	0	0	113.9	H344	H344-E346 PolarHBondContact O-N 3.38Å
347	T	36	Very low	51.4	Low	127 Å²	127	91.5 Å²	91.5	78%	0.779	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	8.1	175.3	56.1	0	0	0	0	114.5	S345	S345-T347 PolarHBondContact O-N 2.78Å
348	S	33.5	Very low	48.8	Very low	80 Å²	80	93.9 Å²	93.9	56%	0.559	57%	0.565	S	S	*	*	S	Bend	trans	-111.8	90.4	-179.6	-22.8	0	0	0	0	110.3	S345	S345-S348 PolarHBondContact O-N 2.98Å; S345-S348 PolarHBondContact O-OG 2.91Å; S345-S348 VanDerWaalsContact O-OG 3.09Å; S345-S348 PolarHBondContact OG-OG 3.4Å
349	S	27.5	Very low	46.5	Very low	94 Å²	94	97.9 Å²	97.9	66%	0.657	59%	0.589	S	S	*	*			trans	-45.6	135.4	172.1	-49.4	0	0	0	0	111.6	S351	S349-S351 PolarHBondContact O-N 2.95Å
350	P	32.3	Very low	44.3	Very low	142 Å²	142	99.2 Å²	99.2	92%	0.922	60%	0.598	S	S	*	*	S	Bend	trans	-79.5	71	179.1	33.7	-32.7	0	0	0	109
351	S	31.1	Very low	42.2	Very low	100 Å²	100	98.6 Å²	98.6	70%	0.699	60%	0.597	S	S	*	*			trans	-138.4	61.4	-177.5	67.1	0	0	0	0	111.2	S349	S349-S351 PolarHBondContact O-N 2.95Å
352	S	31.8	Very low	40.9	Very low	91 Å²	91	98.7 Å²	98.7	64%	0.636	60%	0.599	S	S	*	*			trans	-174.5	122.8	150.2	-175.9	0	0	0	0	107.2	T354	S352-T354 PolarHBondContact O-N 3.03Å; S352-T354 PolarHBondContact OG-OG1 3.25Å
353	G	32.3	Very low	40.9	Very low	93 Å²	93	97.6 Å²	97.6	96%	0.959	59%	0.593	S	S	*	*			trans	-68.2	49.6	176.6	0	0	0	0	0	113.2
354	T	34.3	Very low	42.3	Very low	77 Å²	77	93.8 Å²	93.8	47%	0.472	57%	0.571	S	S	.	*			trans	-103.7	129.2	177.6	-36.1	0	0	0	0	107.2	S352 T356	S352-T354 PolarHBondContact O-N 3.03Å; S352-T354 PolarHBondContact OG-OG1 3.25Å; T354-T356 HydrophobicContact CG2-CG2 3.41Å; T354-T356 VanDerWaalsContact CG2-CG2 3.41Å; T354-T356 PolarHBondContact O-N 3.4Å; T354-T356 PolarHBondContact O-OG1 2.8Å
355	V	38.2	Very low	44.4	Very low	113 Å²	113	88.9 Å²	88.9	69%	0.685	55%	0.549	S	S	*	.			trans	-68.4	51.5	179.9	-173.8	0	0	0	0	110.4	T359	V355-T359 WeakPolarHBondContact CG1-OG1 3.48Å
356	T	38.3	Very low	46.8	Very low	90 Å²	90	85.8 Å²	85.8	55%	0.552	53%	0.528	S	S	*	.			trans	-118.8	110.1	-164.9	49.4	0	0	0	0	109.3	T354	T354-T356 HydrophobicContact CG2-CG2 3.41Å; T354-T356 VanDerWaalsContact CG2-CG2 3.41Å; T354-T356 PolarHBondContact O-N 3.4Å; T354-T356 PolarHBondContact O-OG1 2.8Å
357	N	38.8	Very low	49.2	Very low	120 Å²	120	78.8 Å²	78.8	64%	0.642	50%	0.499	S	S	*	.	S	Bend	trans	96.3	-49.5	168.3	-58	-7.5	0	0	0	118	T359 M360 L361	N357-T359 PolarHBondContact O-N 3.09Å; N357-M360 WeakPolarHBondContact O-CB 3.4Å; N357-M360 PolarHBondContact O-N 2.98Å; N357-M360 VanDerWaalsContact O-N 3.14Å; N357-L361 PolarHBondContact O-N 3.01Å
358	S	42.2	Very low	51.9	Low	51 Å²	51	73.8 Å²	73.8	36%	0.357	47%	0.47	S	S	.	.	H	α-helix	trans	-63.3	-47.9	-179.8	-80.3	0	0	0	0	112.5	H344 M360 L361 C362	H344-S358 PolarHBondContact CE1-OG 3.04Å; H344-S358 PolarHBondContact NE2-OG 3.46Å; S358-M360 PolarHBondContact O-N 3.25Å; S358-L361 PolarHBondContact O-N 3.09Å; S358-C362 PolarHBondContact O-N 3.49Å; S358-C362 PolarHBondContact O-SG 3.28Å
359	T	44.7	Very low	54.7	Low	85 Å²	85	70.5 Å²	70.5	52%	0.521	45%	0.447	S	S	.	.	H	α-helix	trans	-66.1	-23.9	175.4	11.3	0	0	0	0	113.1	V355 N357 D363	V355-T359 WeakPolarHBondContact CG1-OG1 3.48Å; N357-T359 PolarHBondContact O-N 3.09Å; T359-D363 PolarHBondContact O-N 3.37Å
360	M	47	Very low	57.9	Low	77 Å²	77	66.1 Å²	66.1	38%	0.379	42%	0.417	S	S	.	.	H	α-helix	trans	-73.7	-32.2	-178.9	-72	-84.7	172.3	0	0	112.7	N3 N357 S358 D363	N3-M360 HydrophobicContact CB-CE 4.29Å; N3-M360 HydrophobicContact CB-SD 4.28Å; N3-M360 PolarHBondContact ND2-SD 2.88Å; N3-M360 PolarHBondContact OD1-SD 3.28Å; N3-M360 VanDerWaalsContact OD1-SD 3.39Å; N357-M360 WeakPolarHBondContact O-CB 3.4Å; N357-M360 PolarHBondContact O-N 2.98Å; N357-M360 VanDerWaalsContact O-N 3.14Å; S358-M360 PolarHBondContact O-N 3.25Å; M360-D363 WeakPolarHBondContact O-CB 3.32Å
361	L	48.3	Very low	61	Low	48 Å²	48	59.4 Å²	59.4	25%	0.251	37%	0.373	S	S	.	.	H	α-helix	trans	-85.4	-41.2	-178.7	-72.8	177.5	0	0	0	112.4	N342 N357 S358 D363 R364	N342-L361 WeakPolarHBondContact OD1-CB 3.3Å; N357-L361 PolarHBondContact O-N 3.01Å; S358-L361 PolarHBondContact O-N 3.09Å; L361-D363 PolarHBondContact O-N 2.88Å; L361-D363 VanDerWaalsContact O-N 3.08Å; L361-R364 WeakPolarHBondContact O-CB 3.38Å; L361-R364 PolarHBondContact O-N 2.86Å
362	C	56	Low	64.2	Low	60 Å²	60	56.4 Å²	56.4	41%	0.405	35%	0.348	S	S	.	.	H	α-helix	trans	-56.8	-26.8	172.2	-47.4	0	0	0	0	111.8	K11 S358 R364 D365	K11-C362 PolarHBondContact NZ-O 3Å; S358-C362 PolarHBondContact O-N 3.49Å; S358-C362 PolarHBondContact O-SG 3.28Å; C362-R364 PolarHBondContact O-N 3.41Å; C362-D365 PolarHBondContact O-N 2.95Å
363	D	69.8	Low	67.4	Low	33 Å²	33	52 Å²	52	18%	0.176	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.4	175.3	-143.4	-9.6	0	0	0	112.6	N3 S6 K11 T359 M360 L361	N3-D363 PolarHBondContact ND2-OD2 3.38Å; S6-D363 WeakPolarHBondContact CA-OD1 3.5Å; S6-D363 WeakPolarHBondContact CA-OD2 3.36Å; S6-D363 WeakPolarHBondContact CB-OD1 3.49Å; S6-D363 WeakPolarHBondContact CB-OD2 3.41Å; S6-D363 PolarHBondContact N-OD2 2.97Å; K11-D363 PolarHBondContact NZ-O 3.46Å; T359-D363 PolarHBondContact O-N 3.37Å; M360-D363 WeakPolarHBondContact O-CB 3.32Å; L361-D363 PolarHBondContact O-N 2.88Å; L361-D363 VanDerWaalsContact O-N 3.08Å
364	R	81.4	Confident	70.5	Confident	99 Å²	99	48.8 Å²	48.8	37%	0.374	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.2	-179.1	-60	-175.9	175.6	-178.7	-1.1	114.6	F340 L361 C362	F340-R364 HydrophobicContact CD2-CB 3.58Å; F340-R364 HydrophobicContact CE2-CB 3.87Å; F340-R364 WeakPolarHBondContact CE2-O 3.35Å; F340-R364 HydrophobicContact CG-CB 4.28Å; L361-R364 WeakPolarHBondContact O-CB 3.38Å; L361-R364 PolarHBondContact O-N 2.86Å; C362-R364 PolarHBondContact O-N 3.41Å
365	D	88.5	Confident	73.6	Confident	20 Å²	20	45.1 Å²	45.1	11%	0.107	26%	0.256	C	S	.	.	S	Bend	trans	-61.2	161.5	179.4	-71.4	-15.6	0	0	0	111.2	L9 K11 A338 Y339 F340 C362 P369	L9-D365 WeakPolarHBondContact CD1-O 3.4Å; K11-D365 WeakPolarHBondContact CE-O 3.42Å; K11-D365 PolarHBondContact NZ-O 2.9Å; A338-D365 CarbonylContact O-C 3.08Å; A338-D365 WeakPolarHBondContact O-CA 3.32Å; Y339-D365 WeakPolarHBondContact CA-OD1 3.34Å; F340-D365 PolarHBondContact N-OD1 3.31Å; C362-D365 PolarHBondContact O-N 2.95Å; D365-P369 HydrophobicContact CB-CB 4.2Å; D365-P369 HydrophobicContact CB-CG 4.45Å
366	G	90.9	Very high	76.5	Confident	1 Å²	1	40 Å²	40	1%	0.01	23%	0.225	C	C	.	.			trans	-71.9	-179.8	167.4	0	0	0	0	0	111.4	A334 I335 A338 A368	A334-G366 WeakPolarHBondContact O-CA 3.48Å; I335-G366 CarbonylContact O-C 3.56Å; I335-G366 WeakPolarHBondContact O-CA 3.48Å; A338-G366 PolarHBondContact O-N 3.44Å; G366-A368 VanDerWaalsContact C-N 3.3Å
367	V	90.4	Very high	79.3	Confident	54 Å²	54	35.7 Å²	35.7	33%	0.327	20%	0.199	S	C	.	.	S	Bend	trans	-66	-34.7	174.4	176.7	0	0	0	0	111.6	I14 I335 A336	I14-V367 HydrophobicContact CD1-CG2 4.09Å; I335-V367 PolarHBondContact O-N 3.45Å; A336-V367 PolarHBondContact O-N 3.47Å
368	A	92.5	Very high	82.1	Confident	22 Å²	22	30.8 Å²	30.8	18%	0.182	17%	0.172	C	C	.	.			trans	-127.8	73.9	179.9	0	0	0	0	0	110.8	N27 A336 S337 G366 G370 A371	N27-A368 CarbonylContact O-C 3.52Å; N27-A368 VanDerWaalsContact O-CA 3.23Å; N27-A368 WeakPolarHBondContact O-CA 3.41Å; A336-A368 PolarHBondContact O-N 3.32Å; S337-A368 VanDerWaalsContact CA-O 3.31Å; S337-A368 WeakPolarHBondContact CA-O 3.47Å; S337-A368 WeakPolarHBondContact CB-O 3.43Å; G366-A368 VanDerWaalsContact C-N 3.3Å; A368-G370 PolarHBondContact O-N 3.46Å; A368-G370 VanDerWaalsContact O-N 3.13Å; A368-A371 HydrophobicContact CB-CB 4.09Å; A368-A371 WeakPolarHBondContact O-CB 3.4Å; A368-A371 PolarHBondContact O-N 2.93Å
369	P	92.7	Very high	84.7	Confident	11 Å²	11	28.4 Å²	28.4	7%	0.071	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.4	-175.5	25.9	-33.4	0	0	0	113.6	N27 P51 K56 Y339 D365	N27-P369 HydrophobicContact CB-CG 4.31Å; P51-P369 WeakPolarHBondContact CD-O 3.34Å; P51-P369 HydrophobicContact CG-CB 4.33Å; K56-P369 PolarHBondContact NZ-O 3.4Å; Y339-P369 HydrophobicContact CD2-CB 4.07Å; Y339-P369 HydrophobicContact CG-CB 4.47Å; D365-P369 HydrophobicContact CB-CB 4.2Å; D365-P369 HydrophobicContact CB-CG 4.45Å
370	G	94.7	Very high	87.2	Confident	2 Å²	2	24.7 Å²	24.7	2%	0.021	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-23.3	171.9	0	0	0	0	0	114	N27 G28 C29 A368	N27-G370 VanDerWaalsContact O-CA 3.29Å; N27-G370 WeakPolarHBondContact O-CA 3.44Å; N27-G370 PolarHBondContact O-N 3.06Å; G28-G370 CarbonylContact O-C 3.27Å; C29-G370 WeakPolarHBondContact CA-O 2.94Å; A368-G370 PolarHBondContact O-N 3.46Å; A368-G370 VanDerWaalsContact O-N 3.13Å
371	A	97.5	Very high	89.4	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.			trans	-69	147.1	-172.6	0	0	0	0	0	112.7	G28 T31 I33 K56 A368	G28-A371 WeakPolarHBondContact O-CA 3.45Å; G28-A371 PolarHBondContact O-N 3.11Å; T31-A371 WeakPolarHBondContact O-CA 3.13Å; I33-A371 HydrophobicContact CD1-CB 3.8Å; I33-A371 HydrophobicContact CG1-CB 4.16Å; K56-A371 VanDerWaalsContact CD-O 3.22Å; K56-A371 WeakPolarHBondContact CD-O 3.42Å; K56-A371 WeakPolarHBondContact CE-O 3.31Å; K56-A371 PolarHBondContact NZ-O 3.25Å; A368-A371 HydrophobicContact CB-CB 4.09Å; A368-A371 WeakPolarHBondContact O-CB 3.4Å; A368-A371 PolarHBondContact O-N 2.93Å
372	Q	98.2	Very high	91.5	Very high	37 Å²	37	24 Å²	24	17%	0.173	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	156.8	170	-70.4	-175.1	-49.7	0	0	110.8	T31 R32 I33 T50 R55 K56 V58	T31-Q372 PolarHBondContact O-N 3.4Å; R32-Q372 CarbonylContact C-O 3.38Å; R32-Q372 WeakPolarHBondContact CA-O 3.34Å; R32-Q372 HydrophobicContact CG-CB 4.12Å; I33-Q372 PolarHBondContact N-O 2.94Å; T50-Q372 HydrophobicContact CG2-CG 3.94Å; R55-Q372 PolarHBondContact O-NE2 2.91Å; K56-Q372 CarbonylContact O-C 3.3Å; K56-Q372 WeakPolarHBondContact O-CA 3.48Å; K56-Q372 WeakPolarHBondContact O-CB 3.49Å; V58-Q372 HydrophobicContact CG1-CB 3.89Å; V58-Q372 HydrophobicContact CG1-CG 4.02Å
373	I	98.6	Very high	93.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136	-174	-65.4	159.3	0	0	0	112.2	I33 V35 I40 L47 K56 I57 V58 A333 S337	I33-I373 CarbonylContact O-C 3.46Å; I33-I373 VanDerWaalsContact O-CA 3.25Å; I33-I373 WeakPolarHBondContact O-CA 3.45Å; V35-I373 HydrophobicContact CB-CG2 4.36Å; V35-I373 HydrophobicContact CG2-CG2 3.81Å; I40-I373 HydrophobicContact CD1-CG2 3.53Å; L47-I373 HydrophobicContact CD2-CD1 3.75Å; K56-I373 HydrophobicContact CD-CD1 4.21Å; K56-I373 HydrophobicContact CG-CD1 4.31Å; K56-I373 PolarHBondContact O-N 3.23Å; I57-I373 CarbonylContact C-O 3.59Å; I57-I373 VanDerWaalsContact C-O 3.25Å; I57-I373 VanDerWaalsContact CA-O 3.22Å; I57-I373 WeakPolarHBondContact CA-O 3.48Å; I57-I373 HydrophobicContact CG1-CB 4.46Å; I57-I373 WeakPolarHBondContact CG2-O 3.4Å; V58-I373 WeakPolarHBondContact CG2-O 3.5Å; V58-I373 PolarHBondContact N-O 3.21Å; A333-I373 HydrophobicContact CB-CD1 3.8Å; S337-I373 WeakPolarHBondContact OG-CD1 3.48Å; S337-I373 VanDerWaalsContact OG-CG1 3.31Å; S337-I373 WeakPolarHBondContact OG-CG1 3.3Å
374	V	98.3	Very high	94	Very high	25 Å²	25	23.9 Å²	23.9	15%	0.152	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119	159.7	178	0	0	0	0	107.9	I33 A34 V35 V58 D59 I376 Y398	I33-V374 PolarHBondContact O-N 3.37Å; A34-V374 CarbonylContact C-O 3.49Å; A34-V374 WeakPolarHBondContact CA-O 3.43Å; V35-V374 PolarHBondContact N-O 3.21Å; V58-V374 HydrophobicContact CG2-CG2 3.66Å; D59-V374 HydrophobicContact CB-CG1 4.18Å; D59-V374 HydrophobicContact CB-CG2 4.4Å; V374-I376 HydrophobicContact CG1-CD1 4.05Å; V374-I376 HydrophobicContact CG1-CG1 3.86Å; V374-Y398 HydrophobicContact CG1-CE1 4.44Å
375	S	98.6	Very high	94.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.3	174.6	-164.1	0	0	0	0	109.9	I40 D59 M60 I61	I40-S375 WeakPolarHBondContact CB-OG 3.22Å; I40-S375 WeakPolarHBondContact CG1-OG 3.36Å; I40-S375 PolarHBondContact N-OG 3.01Å; D59-S375 PolarHBondContact O-N 2.85Å; M60-S375 WeakPolarHBondContact CA-O 3.44Å; I61-S375 PolarHBondContact N-O 3.03Å
376	I	98.4	Very high	94.2	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	98.7	175.6	-57.2	-177.4	0	0	0	107.1	A34 V35 W36 D37 I61 A63 V374 I378 A395 Y398	A34-I376 HydrophobicContact CB-CD1 4.32Å; V35-I376 PolarHBondContact O-N 3.06Å; W36-I376 WeakPolarHBondContact CA-O 3.49Å; W36-I376 HydrophobicContact CG-CB 4.32Å; W36-I376 VanDerWaalsContact NE1-CD1 3.27Å; D37-I376 PolarHBondContact N-O 3.11Å; I61-I376 HydrophobicContact CG2-CB 4.11Å; I61-I376 HydrophobicContact CG2-CG1 3.73Å; I61-I376 HydrophobicContact CG2-CG2 4Å; A63-I376 HydrophobicContact CB-CG2 3.81Å; V374-I376 HydrophobicContact CG1-CD1 4.05Å; V374-I376 HydrophobicContact CG1-CG1 3.86Å; I376-I378 HydrophobicContact CG2-CG2 4.3Å; I376-I378 PolarHBondContact O-N 3.46Å; I376-A395 HydrophobicContact CG2-CB 3.48Å; I376-A395 VanDerWaalsContact CG2-CB 3.48Å; I376-Y398 HydrophobicContact CD1-CD1 4.22Å
377	K	98.4	Very high	94.3	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	111.6	176.9	169.9	173.3	166.3	-67.1	0	109.4	D37 I61 D62 A63 S64 S66 T323 S379	D37-K377 CarbonylContact O-C 3.49Å; D37-K377 WeakPolarHBondContact O-CA 3.48Å; I61-K377 PolarHBondContact O-N 3.09Å; D62-K377 VanDerWaalsContact CG-NZ 3.29Å; D62-K377 IonicContact OD1-NZ 3.2Å; D62-K377 PolarHBondContact OD1-NZ 3.21Å; D62-K377 VanDerWaalsContact OD1-NZ 3.15Å; D62-K377 IonicContact OD2-NZ 2.92Å; D62-K377 PolarHBondContact OD2-NZ 2.85Å; A63-K377 WeakPolarHBondContact CA-O 3.34Å; A63-K377 WeakPolarHBondContact CB-O 3.42Å; A63-K377 PolarHBondContact N-O 3.43Å; S64-K377 PolarHBondContact N-O 3.29Å; S64-K377 PolarHBondContact OG-NZ 3.11Å; S66-K377 PolarHBondContact OG-NZ 2.93Å; T323-K377 WeakPolarHBondContact O-CD 3.29Å; T323-K377 WeakPolarHBondContact O-CE 3.41Å; K377-S379 WeakPolarHBondContact CE-O 3.38Å; K377-S379 WeakPolarHBondContact CG-O 3.41Å; K377-S379 PolarHBondContact NZ-O 3.1Å
378	I	98	Very high	94.6	Very high	17 Å²	17	32.4 Å²	32.4	9%	0.087	17%	0.169	C	C	.	.			trans	-96.9	-23.1	173.8	58	168.9	0	0	0	111.8	W36 D37 A63 I376 E387 S391 L392 A395	W36-I378 HydrophobicContact CB-CD1 4.27Å; W36-I378 HydrophobicContact CB-CG2 4.29Å; D37-I378 WeakPolarHBondContact O-CG1 2.9Å; D37-I378 PolarHBondContact O-N 3.42Å; A63-I378 HydrophobicContact CB-CG2 4.47Å; I376-I378 HydrophobicContact CG2-CG2 4.3Å; I376-I378 PolarHBondContact O-N 3.46Å; I378-E387 HydrophobicContact CB-CB 4.11Å; I378-E387 HydrophobicContact CD1-CB 3.94Å; I378-E387 HydrophobicContact CD1-CG 4.29Å; I378-E387 HydrophobicContact CG1-CB 4.02Å; I378-E387 WeakPolarHBondContact O-CA 3.39Å; I378-S391 VanDerWaalsContact O-CB 3.25Å; I378-S391 WeakPolarHBondContact O-CB 3.5Å; I378-S391 PolarHBondContact O-OG 3.32Å; I378-L392 HydrophobicContact CB-CD2 4.34Å; I378-L392 HydrophobicContact CD1-CD2 3.77Å; I378-L392 HydrophobicContact CG2-CD2 4.16Å; I378-A395 HydrophobicContact CG2-CB 3.8Å
379	S	97	Very high	94.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-66.7	137.3	176.6	76.3	0	0	0	0	111.6	D37 T38 S64 N325 K377 P385 M386	D37-S379 PolarHBondContact O-N 3.32Å; T38-S379 VanDerWaalsContact CA-OG 3.31Å; T38-S379 WeakPolarHBondContact CA-OG 3.12Å; S64-S379 WeakPolarHBondContact CB-O 3.39Å; S64-S379 PolarHBondContact OG-O 3.3Å; N325-S379 VanDerWaalsContact CB-OG 3.28Å; N325-S379 WeakPolarHBondContact CB-OG 3.38Å; N325-S379 WeakPolarHBondContact ND2-CB 3.48Å; N325-S379 PolarHBondContact ND2-OG 2.93Å; K377-S379 WeakPolarHBondContact CE-O 3.38Å; K377-S379 WeakPolarHBondContact CG-O 3.41Å; K377-S379 PolarHBondContact NZ-O 3.1Å; S379-P385 VanDerWaalsContact CB-O 3.29Å; S379-P385 WeakPolarHBondContact CB-O 3.38Å; S379-M386 WeakPolarHBondContact CA-O 3.48Å
380	D	95.8	Very high	94.8	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.032	21%	0.21	C	C	.	.			trans	-102.3	107.9	177.8	-171.4	-23.6	0	0	0	110.7	S66 R382 L383 G384 M386 T388	S66-D380 WeakPolarHBondContact CB-OD1 3.34Å; D380-R382 PolarHBondContact O-N 2.81Å; D380-R382 WeakPolarHBondContact OD1-CB 3.34Å; D380-R382 WeakPolarHBondContact OD1-CG 3.11Å; D380-R382 IonicContact OD1-CZ 3.21Å; D380-R382 PolarHBondContact OD1-N 3.21Å; D380-R382 IonicContact OD1-NE 3.93Å; D380-R382 PolarHBondContact OD1-NE 3.41Å; D380-R382 IonicContact OD1-NH2 2.86Å; D380-R382 IonicContact OD2-CZ 2.85Å; D380-R382 VanDerWaalsContact OD2-CZ 3.27Å; D380-R382 IonicContact OD2-NE 3.64Å; D380-R382 PolarHBondContact OD2-NE 3.24Å; D380-R382 VanDerWaalsContact OD2-NE 3.1Å; D380-R382 IonicContact OD2-NH2 2.75Å; D380-R382 PolarHBondContact OD2-NH2 3.5Å; D380-L383 HydrophobicContact CB-CB 4.4Å; D380-L383 HydrophobicContact CB-CD1 4.47Å; D380-L383 HydrophobicContact CB-CG 4.44Å; D380-L383 CarbonylContact O-C 3.58Å; D380-L383 WeakPolarHBondContact O-CA 3.44Å; D380-L383 PolarHBondContact O-N 3.26Å; D380-G384 CarbonylContact C-O 3.36Å; D380-G384 PolarHBondContact O-N 3.1Å; D380-M386 PolarHBondContact N-O 3.48Å; D380-T388 HydrophobicContact CB-CG2 4.47Å
381	S	93.2	Very high	94.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-27	-179	28.1	0	0	0	0	113.7	S66 E114 L383 G384	S66-S381 WeakPolarHBondContact CB-OG 3.37Å; S66-S381 PolarHBondContact OG-OG 3.31Å; E114-S381 PolarHBondContact O-OG 3.24Å; S381-L383 PolarHBondContact O-N 3.08Å; S381-G384 PolarHBondContact O-N 2.98Å
382	R	92.7	Very high	94.9	Very high	110 Å²	110	41.6 Å²	41.6	42%	0.415	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-34.5	173.8	-58.8	171.8	-69.3	-161.9	-0.7	111.6	S64 E114 K118 D380	S64-R382 PolarHBondContact O-NH2 3.1Å; E114-R382 HydrophobicContact CB-CG 4.16Å; E114-R382 HydrophobicContact CG-CG 3.89Å; K118-R382 WeakPolarHBondContact CE-O 3.29Å; D380-R382 PolarHBondContact O-N 2.81Å; D380-R382 WeakPolarHBondContact OD1-CB 3.34Å; D380-R382 WeakPolarHBondContact OD1-CG 3.11Å; D380-R382 IonicContact OD1-CZ 3.21Å; D380-R382 PolarHBondContact OD1-N 3.21Å; D380-R382 IonicContact OD1-NE 3.93Å; D380-R382 PolarHBondContact OD1-NE 3.41Å; D380-R382 IonicContact OD1-NH2 2.86Å; D380-R382 IonicContact OD2-CZ 2.85Å; D380-R382 VanDerWaalsContact OD2-CZ 3.27Å; D380-R382 IonicContact OD2-NE 3.64Å; D380-R382 PolarHBondContact OD2-NE 3.24Å; D380-R382 VanDerWaalsContact OD2-NE 3.1Å; D380-R382 IonicContact OD2-NH2 2.75Å; D380-R382 PolarHBondContact OD2-NH2 3.5Å
383	L	91.5	Very high	94.9	Very high	89 Å²	89	45.5 Å²	45.5	47%	0.466	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-2.5	-178.4	-56.5	-179.2	0	0	0	112.8	K118 D380 S381 T388	K118-L383 PolarHBondContact NZ-O 3.48Å; D380-L383 HydrophobicContact CB-CB 4.4Å; D380-L383 HydrophobicContact CB-CD1 4.47Å; D380-L383 HydrophobicContact CB-CG 4.44Å; D380-L383 CarbonylContact O-C 3.58Å; D380-L383 WeakPolarHBondContact O-CA 3.44Å; D380-L383 PolarHBondContact O-N 3.26Å; S381-L383 PolarHBondContact O-N 3.08Å; L383-T388 HydrophobicContact CD1-CG2 3.74Å
384	G	86.3	Confident	94.8	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.021	26%	0.261	C	S	.	.	S	Bend	trans	91.1	-149.1	-173.9	0	0	0	0	0	109.9	N325 D380 S381 M386	N325-G384 PolarHBondContact ND2-O 3.02Å; D380-G384 CarbonylContact C-O 3.36Å; D380-G384 PolarHBondContact O-N 3.1Å; S381-G384 PolarHBondContact O-N 2.98Å; G384-M386 PolarHBondContact O-N 3.36Å; G384-M386 VanDerWaalsContact O-N 3.11Å
385	P	84.6	Confident	94.7	Very high	88 Å²	88	48.1 Å²	48.1	57%	0.571	25%	0.254	S	S	*	.	S	Bend	trans	-73.8	1.5	-177	31.4	-35.5	0	0	0	114.3	T38 S379	T38-P385 HydrophobicContact CG2-CB 4.22Å; S379-P385 VanDerWaalsContact CB-O 3.29Å; S379-P385 WeakPolarHBondContact CB-O 3.38Å
386	M	91.2	Very high	94.6	Very high	120 Å²	120	52.9 Å²	52.9	59%	0.591	28%	0.282	S	S	*	.			trans	-75	137.7	-175.3	-64.8	178.6	69.1	0	0	112.5	S379 D380 G384	S379-M386 WeakPolarHBondContact CA-O 3.48Å; D380-M386 PolarHBondContact N-O 3.48Å; G384-M386 PolarHBondContact O-N 3.36Å; G384-M386 VanDerWaalsContact O-N 3.11Å
387	E	92.9	Very high	94.4	Very high	107 Å²	107	57.8 Å²	57.8	50%	0.5	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-82	165.4	167.4	75.6	-74.4	-178.7	0	0	112.3	I378 L392	I378-E387 HydrophobicContact CB-CB 4.11Å; I378-E387 HydrophobicContact CD1-CB 3.94Å; I378-E387 HydrophobicContact CD1-CG 4.29Å; I378-E387 HydrophobicContact CG1-CB 4.02Å; I378-E387 WeakPolarHBondContact O-CA 3.39Å; E387-L392 HydrophobicContact CG-CD1 4.42Å; E387-L392 HydrophobicContact CG-CD2 4.43Å; E387-L392 HydrophobicContact CG-CG 4.45Å
388	T	95.1	Very high	94	Very high	37 Å²	37	63.5 Å²	63.5	23%	0.227	34%	0.339	C	S	.	.			trans	-127.1	156.4	174.5	66.9	0	0	0	0	111.1	D380 L383 I390 S391 L392	D380-T388 HydrophobicContact CB-CG2 4.47Å; L383-T388 HydrophobicContact CD1-CG2 3.74Å; T388-I390 PolarHBondContact O-N 3.4Å; T388-S391 PolarHBondContact N-OG 3.45Å; T388-S391 WeakPolarHBondContact O-CB 3.47Å; T388-S391 PolarHBondContact O-N 3.01Å; T388-S391 PolarHBondContact O-OG 2.87Å; T388-S391 WeakPolarHBondContact OG1-CB 2.91Å; T388-S391 PolarHBondContact OG1-N 3.05Å; T388-S391 VanDerWaalsContact OG1-N 3.11Å; T388-S391 PolarHBondContact OG1-OG 3.07Å; T388-L392 PolarHBondContact O-N 3.02Å; T388-L392 VanDerWaalsContact O-N 3.08Å
389	G	95.7	Very high	93.8	Very high	53 Å²	53	65.8 Å²	65.8	55%	0.546	35%	0.352	S	S	.	.	H	α-helix	trans	-55.4	-36.2	174.8	0	0	0	0	0	113	L392 L393	G389-L392 PolarHBondContact O-N 3.37Å; G389-L393 WeakPolarHBondContact O-CG 3.33Å; G389-L393 PolarHBondContact O-N 2.79Å
390	I	95.2	Very high	93.6	Very high	112 Å²	112	69.2 Å²	69.2	57%	0.574	37%	0.37	S	S	*	.	H	α-helix	trans	-66.8	-40.6	175.4	-59.1	-58.1	0	0	0	111.6	T388 L392 L393 R394	T388-I390 PolarHBondContact O-N 3.4Å; I390-L392 VanDerWaalsContact C-N 3.3Å; I390-L392 PolarHBondContact O-N 2.92Å; I390-L393 HydrophobicContact CD1-CD1 4.5Å; I390-L393 PolarHBondContact O-N 2.97Å; I390-R394 WeakPolarHBondContact O-CG 3.41Å; I390-R394 PolarHBondContact O-N 2.94Å
391	S	96.6	Very high	93.5	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-62.4	-38.8	177	72.2	0	0	0	0	112.4	A63 I378 T388 R394 A395	A63-S391 WeakPolarHBondContact CB-O 3.16Å; A63-S391 WeakPolarHBondContact O-CA 3.24Å; I378-S391 VanDerWaalsContact O-CB 3.25Å; I378-S391 WeakPolarHBondContact O-CB 3.5Å; I378-S391 PolarHBondContact O-OG 3.32Å; T388-S391 PolarHBondContact N-OG 3.45Å; T388-S391 WeakPolarHBondContact O-CB 3.47Å; T388-S391 PolarHBondContact O-N 3.01Å; T388-S391 PolarHBondContact O-OG 2.87Å; T388-S391 WeakPolarHBondContact OG1-CB 2.91Å; T388-S391 PolarHBondContact OG1-N 3.05Å; T388-S391 VanDerWaalsContact OG1-N 3.11Å; T388-S391 PolarHBondContact OG1-OG 3.07Å; S391-R394 PolarHBondContact O-N 2.76Å; S391-A395 WeakPolarHBondContact O-CB 3.45Å; S391-A395 PolarHBondContact O-N 3.19Å
392	L	97.4	Very high	93.5	Very high	64 Å²	64	76.9 Å²	76.9	34%	0.335	41%	0.411	S	S	.	.	H	α-helix	trans	-67.7	-42.1	176.4	-64.4	175.8	0	0	0	111.1	W36 I378 E387 T388 G389 I390 R394 A395 V396	W36-L392 HydrophobicContact CE3-CD2 4.44Å; I378-L392 HydrophobicContact CB-CD2 4.34Å; I378-L392 HydrophobicContact CD1-CD2 3.77Å; I378-L392 HydrophobicContact CG2-CD2 4.16Å; E387-L392 HydrophobicContact CG-CD1 4.42Å; E387-L392 HydrophobicContact CG-CD2 4.43Å; E387-L392 HydrophobicContact CG-CG 4.45Å; T388-L392 PolarHBondContact O-N 3.02Å; T388-L392 VanDerWaalsContact O-N 3.08Å; G389-L392 PolarHBondContact O-N 3.37Å; I390-L392 VanDerWaalsContact C-N 3.3Å; I390-L392 PolarHBondContact O-N 2.92Å; L392-R394 VanDerWaalsContact C-N 3.35Å; L392-R394 PolarHBondContact O-N 2.79Å; L392-A395 WeakPolarHBondContact O-CB 3.39Å; L392-A395 PolarHBondContact O-N 3.41Å; L392-V396 VanDerWaalsContact O-CG2 3.28Å; L392-V396 WeakPolarHBondContact O-CG2 3.48Å; L392-V396 PolarHBondContact O-N 3.44Å
393	L	97.4	Very high	93.6	Very high	118 Å²	118	74.9 Å²	74.9	62%	0.618	41%	0.411	S	S	*	.	H	α-helix	trans	-63.2	-40.8	175.8	-70.7	172.8	0	0	0	112.2	G389 I390 A395 V396 S397	G389-L393 WeakPolarHBondContact O-CG 3.33Å; G389-L393 PolarHBondContact O-N 2.79Å; I390-L393 HydrophobicContact CD1-CD1 4.5Å; I390-L393 PolarHBondContact O-N 2.97Å; L393-A395 VanDerWaalsContact C-N 3.32Å; L393-V396 PolarHBondContact O-N 2.95Å; L393-S397 WeakPolarHBondContact O-CB 3.45Å; L393-S397 PolarHBondContact O-N 2.89Å
394	R	96.1	Very high	93.7	Very high	81 Å²	81	73.9 Å²	73.9	31%	0.306	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-37.5	173.8	-75.3	178.4	64.3	162.7	3.2	111.8	A63 G65 D68 I390 S391 L392 S397 Y398	A63-R394 HydrophobicContact CB-CB 3.96Å; A63-R394 WeakPolarHBondContact O-CB 3.49Å; A63-R394 WeakPolarHBondContact O-CD 3.47Å; A63-R394 PolarHBondContact O-NE 2.75Å; G65-R394 VanDerWaalsContact CA-NH1 3.26Å; D68-R394 IonicContact OD1-NH2 3.8Å; D68-R394 PolarHBondContact OD1-NH2 3.5Å; D68-R394 IonicContact OD2-CZ 2.86Å; D68-R394 VanDerWaalsContact OD2-CZ 3.31Å; D68-R394 IonicContact OD2-NH1 2.66Å; D68-R394 PolarHBondContact OD2-NH1 3.49Å; D68-R394 IonicContact OD2-NH2 3.84Å; D68-R394 PolarHBondContact OD2-NH2 3.42Å; I390-R394 WeakPolarHBondContact O-CG 3.41Å; I390-R394 PolarHBondContact O-N 2.94Å; S391-R394 PolarHBondContact O-N 2.76Å; L392-R394 VanDerWaalsContact C-N 3.35Å; L392-R394 PolarHBondContact O-N 2.79Å; R394-S397 PolarHBondContact O-N 3.07Å; R394-Y398 PolarHBondContact O-N 3.45Å
395	A	96.8	Very high	94.3	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-66.7	-42	176	0	0	0	0	0	112.6	W36 A63 I376 I378 S391 L392 L393 S397 Y398	W36-A395 HydrophobicContact CD2-CB 3.92Å; W36-A395 HydrophobicContact CE3-CB 3.89Å; W36-A395 HydrophobicContact CH2-CB 4.02Å; W36-A395 HydrophobicContact CZ2-CB 4.01Å; W36-A395 WeakPolarHBondContact CZ2-O 3.47Å; W36-A395 HydrophobicContact CZ3-CB 3.95Å; A63-A395 HydrophobicContact CB-CB 3.95Å; I376-A395 HydrophobicContact CG2-CB 3.48Å; I376-A395 VanDerWaalsContact CG2-CB 3.48Å; I378-A395 HydrophobicContact CG2-CB 3.8Å; S391-A395 WeakPolarHBondContact O-CB 3.45Å; S391-A395 PolarHBondContact O-N 3.19Å; L392-A395 WeakPolarHBondContact O-CB 3.39Å; L392-A395 PolarHBondContact O-N 3.41Å; L393-A395 VanDerWaalsContact C-N 3.32Å; A395-S397 VanDerWaalsContact C-N 3.34Å; A395-Y398 PolarHBondContact O-N 3.28Å
396	V	96.4	Very high	95	Very high	99 Å²	99	78.4 Å²	78.4	60%	0.6	43%	0.425	S	S	*	.	H	α-helix	trans	-66	-37.4	175.6	174.8	0	0	0	0	111.6	W36 L392 L393 Y398	W36-V396 HydrophobicContact CH2-CB 4.06Å; W36-V396 HydrophobicContact CH2-CG2 3.4Å; W36-V396 HydrophobicContact CZ3-CG2 3.76Å; L392-V396 VanDerWaalsContact O-CG2 3.28Å; L392-V396 WeakPolarHBondContact O-CG2 3.48Å; L392-V396 PolarHBondContact O-N 3.44Å; L393-V396 PolarHBondContact O-N 2.95Å; V396-Y398 VanDerWaalsContact C-N 3.29Å
397	S	93.6	Very high	95.3	Very high	107 Å²	107	74.9 Å²	74.9	75%	0.748	41%	0.411	S	S	*	.	H	α-helix	trans	-75.4	-18.4	-177.6	-175.5	0	0	0	0	113.7	L393 R394 A395	L393-S397 WeakPolarHBondContact O-CB 3.45Å; L393-S397 PolarHBondContact O-N 2.89Å; R394-S397 PolarHBondContact O-N 3.07Å; A395-S397 VanDerWaalsContact C-N 3.34Å
398	Y	91	Very high	95.6	Very high	121 Å²	121	72 Å²	72	48%	0.475	40%	0.403	S	S	.	.			trans	-86.5	0	176.8	-169.8	-101	0	0	0	110	D59 I61 K311 V374 I376 R394 A395 V396	D59-Y398 PolarHBondContact OD2-OH 3.44Å; I61-Y398 HydrophobicContact CB-CE1 4.38Å; I61-Y398 HydrophobicContact CD1-CD1 4.23Å; I61-Y398 HydrophobicContact CD1-CD2 3.27Å; I61-Y398 HydrophobicContact CD1-CE1 4.4Å; I61-Y398 HydrophobicContact CD1-CE2 3.48Å; I61-Y398 VanDerWaalsContact CD1-CE2 3.48Å; I61-Y398 HydrophobicContact CD1-CG 3.67Å; I61-Y398 HydrophobicContact CG2-CD1 3.88Å; I61-Y398 HydrophobicContact CG2-CE1 3.99Å; I61-Y398 HydrophobicContact CG2-CG 4.29Å; K311-Y398 WeakPolarHBondContact CE-OH 3.4Å; K311-Y398 PolarHBondContact NZ-OH 3.48Å; V374-Y398 HydrophobicContact CG1-CE1 4.44Å; I376-Y398 HydrophobicContact CD1-CD1 4.22Å; R394-Y398 PolarHBondContact O-N 3.45Å; A395-Y398 PolarHBondContact O-N 3.28Å; V396-Y398 VanDerWaalsContact C-N 3.29Å

Retrieved 398 of 398 residues in 272.1 ms (Link to these results)

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