A0A087YDH5_POEFO Loading...

Pyridoxal-dependent decarboxylase domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A087YDH5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 795 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	40.1	Very low	51.4	Low	212 Å²	212	91.3 Å²	91.3	100%	1.044	53%	0.529	S	S	*	.				0	-68.5	0	-135.3	-178.4	-84.5	0	0	110.5	D3 A4 A5	M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.47Å; M1-A4 PolarHBondContact O-N 3.42Å; M1-A4 VanDerWaalsContact O-N 3.16Å; M1-A5 PolarHBondContact O-N 2.88Å; M1-A5 VanDerWaalsContact O-N 3.12Å
2	V	41.1	Very low	52.2	Low	82 Å²	82	91.7 Å²	91.7	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-46.9	-50.5	175.4	-177.6	0	0	0	0	112.4	A4 A5 L6 Y99	V2-A4 PolarHBondContact O-N 3.04Å; V2-A5 WeakPolarHBondContact O-CB 3.39Å; V2-A5 PolarHBondContact O-N 2.72Å; V2-L6 PolarHBondContact O-N 3.34Å; V2-Y99 HydrophobicContact CG1-CE1 4.44Å; V2-Y99 PolarHBondContact O-OH 2.97Å
3	D	49.6	Very low	52.9	Low	134 Å²	134	88.8 Å²	88.8	72%	0.717	51%	0.509	S	S	*	.	H	α-helix	trans	-54.4	-46.7	-179.4	-154.8	18.5	0	0	0	113.7	M1 A5 L6 A7	M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.47Å; D3-A5 PolarHBondContact O-N 3.05Å; D3-L6 PolarHBondContact O-N 3.37Å; D3-A7 WeakPolarHBondContact O-CB 3.18Å; D3-A7 PolarHBondContact O-N 3.02Å
4	A	50.9	Low	53.5	Low	70 Å²	70	90.3 Å²	90.3	58%	0.579	51%	0.514	S	S	*	.	H	α-helix	trans	-69.7	-32.6	176.9	0	0	0	0	0	112.9	M1 V2 Q8	M1-A4 PolarHBondContact O-N 3.42Å; M1-A4 VanDerWaalsContact O-N 3.16Å; V2-A4 PolarHBondContact O-N 3.04Å; A4-Q8 WeakPolarHBondContact O-CB 3.44Å; A4-Q8 PolarHBondContact O-N 3.19Å
5	A	47.9	Very low	54.1	Low	43 Å²	43	90 Å²	90	36%	0.355	51%	0.507	S	S	.	.	H	α-helix	trans	-70.3	-40.9	174.1	0	0	0	0	0	111.4	M1 V2 D3 Q8 V9	M1-A5 PolarHBondContact O-N 2.88Å; M1-A5 VanDerWaalsContact O-N 3.12Å; V2-A5 WeakPolarHBondContact O-CB 3.39Å; V2-A5 PolarHBondContact O-N 2.72Å; D3-A5 PolarHBondContact O-N 3.05Å; A5-Q8 PolarHBondContact O-N 3.18Å; A5-V9 WeakPolarHBondContact O-CG2 3.19Å; A5-V9 PolarHBondContact O-N 3.23Å
6	L	52.7	Low	54.5	Low	75 Å²	75	85.8 Å²	85.8	39%	0.393	49%	0.486	S	S	.	.	H	α-helix	trans	-64.1	-43	175.7	-158.6	78.9	0	0	0	111.1	V2 D3 Q8 V9 G10 L96 Y99	V2-L6 PolarHBondContact O-N 3.34Å; D3-L6 PolarHBondContact O-N 3.37Å; L6-Q8 VanDerWaalsContact C-N 3.31Å; L6-Q8 PolarHBondContact O-N 3.1Å; L6-V9 PolarHBondContact O-N 3.07Å; L6-G10 PolarHBondContact O-N 2.98Å; L6-L96 HydrophobicContact CD1-CD2 4.46Å; L6-Y99 HydrophobicContact CD1-CD1 3.82Å; L6-Y99 HydrophobicContact CD1-CE1 3.6Å; L6-Y99 HydrophobicContact CD1-CE2 4.36Å; L6-Y99 HydrophobicContact CD1-CG 4.31Å
7	A	56	Low	54.9	Low	56 Å²	56	86.4 Å²	86.4	46%	0.463	49%	0.486	S	S	.	.	H	α-helix	trans	-63.4	-33.5	174	0	0	0	0	0	113.1	D3 K11	D3-A7 WeakPolarHBondContact O-CB 3.18Å; D3-A7 PolarHBondContact O-N 3.02Å; A7-K11 WeakPolarHBondContact O-CG 3.45Å; A7-K11 PolarHBondContact O-N 2.7Å; A7-K11 VanDerWaalsContact O-N 3.15Å
8	Q	54.1	Low	55.3	Low	97 Å²	97	87.8 Å²	87.8	45%	0.453	48%	0.482	S	S	.	.	H	α-helix	trans	-74.5	-39.1	174.3	-168.7	61.2	46.6	0	0	112.1	A4 A5 L6 G10 K11 N12	A4-Q8 WeakPolarHBondContact O-CB 3.44Å; A4-Q8 PolarHBondContact O-N 3.19Å; A5-Q8 PolarHBondContact O-N 3.18Å; L6-Q8 VanDerWaalsContact C-N 3.31Å; L6-Q8 PolarHBondContact O-N 3.1Å; Q8-G10 VanDerWaalsContact C-N 3.35Å; Q8-K11 PolarHBondContact O-N 3.26Å; Q8-N12 PolarHBondContact NE2-OD1 3.41Å; Q8-N12 WeakPolarHBondContact O-CB 3.47Å; Q8-N12 VanDerWaalsContact O-CG 3.27Å; Q8-N12 PolarHBondContact O-N 2.66Å; Q8-N12 PolarHBondContact O-OD1 3.36Å; Q8-N12 VanDerWaalsContact O-OD1 3.1Å
9	V	53.1	Low	55.6	Low	70 Å²	70	85.5 Å²	85.5	42%	0.424	47%	0.469	S	S	.	.	H	α-helix	trans	-61.4	-44.1	172.7	170.3	0	0	0	0	110.5	A5 L6 K11 N12 L13 Y99	A5-V9 WeakPolarHBondContact O-CG2 3.19Å; A5-V9 PolarHBondContact O-N 3.23Å; L6-V9 PolarHBondContact O-N 3.07Å; V9-K11 VanDerWaalsContact C-N 3.35Å; V9-K11 PolarHBondContact O-N 3.44Å; V9-N12 PolarHBondContact O-N 3.05Å; V9-L13 VanDerWaalsContact O-CB 3.31Å; V9-L13 WeakPolarHBondContact O-CB 3.2Å; V9-L13 PolarHBondContact O-N 3.29Å; V9-Y99 HydrophobicContact CG2-CD2 4.25Å; V9-Y99 HydrophobicContact CG2-CE2 4.28Å
10	G	55	Low	55.7	Low	29 Å²	29	83.9 Å²	83.9	30%	0.299	46%	0.459	S	S	.	.	H	α-helix	trans	-60.3	-39.8	175.3	0	0	0	0	0	113.4	L6 Q8 N14	L6-G10 PolarHBondContact O-N 2.98Å; Q8-G10 VanDerWaalsContact C-N 3.35Å; G10-N14 WeakPolarHBondContact O-CB 3.23Å; G10-N14 VanDerWaalsContact O-CG 3.23Å; G10-N14 PolarHBondContact O-N 2.93Å; G10-N14 PolarHBondContact O-OD1 3.2Å
11	K	64.8	Low	55.3	Low	136 Å²	136	82.6 Å²	82.6	59%	0.591	47%	0.465	S	S	*	.	H	α-helix	trans	-64.5	-46.9	172.7	-74.9	174.5	179.5	-176.7	0	112.5	A7 Q8 V9 L13 N14 E15	A7-K11 WeakPolarHBondContact O-CG 3.45Å; A7-K11 PolarHBondContact O-N 2.7Å; A7-K11 VanDerWaalsContact O-N 3.15Å; Q8-K11 PolarHBondContact O-N 3.26Å; V9-K11 VanDerWaalsContact C-N 3.35Å; V9-K11 PolarHBondContact O-N 3.44Å; K11-L13 VanDerWaalsContact C-N 3.31Å; K11-L13 PolarHBondContact O-N 2.95Å; K11-N14 PolarHBondContact O-N 2.92Å; K11-E15 WeakPolarHBondContact O-CB 3.41Å; K11-E15 PolarHBondContact O-N 2.9Å
12	N	60.8	Low	55.6	Low	96 Å²	96	76.3 Å²	76.3	51%	0.513	44%	0.436	S	S	.	.	H	α-helix	trans	-64.8	-36.9	179.6	-69.2	15.8	0	0	0	111.6	Q8 V9 A16	Q8-N12 PolarHBondContact NE2-OD1 3.41Å; Q8-N12 WeakPolarHBondContact O-CB 3.47Å; Q8-N12 VanDerWaalsContact O-CG 3.27Å; Q8-N12 PolarHBondContact O-N 2.66Å; Q8-N12 PolarHBondContact O-OD1 3.36Å; Q8-N12 VanDerWaalsContact O-OD1 3.1Å; V9-N12 PolarHBondContact O-N 3.05Å; N12-A16 WeakPolarHBondContact O-CB 3.39Å; N12-A16 PolarHBondContact O-N 3.23Å
13	L	61	Low	55.9	Low	55 Å²	55	75.7 Å²	75.7	29%	0.288	45%	0.446	S	S	.	.	H	α-helix	trans	-67.7	-47.3	176.2	-168.6	76.3	0	0	0	110.9	V9 K11 E15 A16 M17 L92	V9-L13 VanDerWaalsContact O-CB 3.31Å; V9-L13 WeakPolarHBondContact O-CB 3.2Å; V9-L13 PolarHBondContact O-N 3.29Å; K11-L13 VanDerWaalsContact C-N 3.31Å; K11-L13 PolarHBondContact O-N 2.95Å; L13-E15 VanDerWaalsContact C-N 3.3Å; L13-E15 PolarHBondContact O-N 3.25Å; L13-A16 PolarHBondContact O-N 2.68Å; L13-M17 HydrophobicContact CD2-SD 4.46Å; L13-M17 HydrophobicContact CG-SD 4.2Å; L13-M17 WeakPolarHBondContact O-CB 3.38Å; L13-M17 VanDerWaalsContact O-CG 3.31Å; L13-M17 WeakPolarHBondContact O-CG 3.41Å; L13-M17 PolarHBondContact O-N 3.38Å; L13-L92 HydrophobicContact CD2-CD2 4.22Å
14	N	61.5	Low	55.5	Low	109 Å²	109	78 Å²	78	58%	0.583	45%	0.453	S	S	*	.	H	α-helix	trans	-60.8	-39.2	176.1	-73.3	10.3	0	0	0	112	G10 K11 M17 R18	G10-N14 WeakPolarHBondContact O-CB 3.23Å; G10-N14 VanDerWaalsContact O-CG 3.23Å; G10-N14 PolarHBondContact O-N 2.93Å; G10-N14 PolarHBondContact O-OD1 3.2Å; K11-N14 PolarHBondContact O-N 2.92Å; N14-M17 PolarHBondContact O-N 3.04Å; N14-R18 WeakPolarHBondContact O-CB 3.33Å; N14-R18 PolarHBondContact O-N 3.2Å
15	E	62.3	Low	55.1	Low	86 Å²	86	81.6 Å²	81.6	40%	0.402	46%	0.459	S	S	.	.	H	α-helix	trans	-70	-39.9	177.5	-173.2	68.2	167.8	0	0	112	K11 L13 R18 I19	K11-E15 WeakPolarHBondContact O-CB 3.41Å; K11-E15 PolarHBondContact O-N 2.9Å; L13-E15 VanDerWaalsContact C-N 3.3Å; L13-E15 PolarHBondContact O-N 3.25Å; E15-R18 VanDerWaalsContact CD-NH2 3.26Å; E15-R18 WeakPolarHBondContact O-CB 3.32Å; E15-R18 PolarHBondContact O-N 2.9Å; E15-R18 IonicContact OE1-CZ 2.64Å; E15-R18 IonicContact OE1-NE 2.68Å; E15-R18 IonicContact OE1-NH2 3.43Å; E15-R18 PolarHBondContact OE1-NH2 2.94Å; E15-R18 IonicContact OE2-CZ 2.73Å; E15-R18 IonicContact OE2-NE 3.85Å; E15-R18 PolarHBondContact OE2-NE 2.81Å; E15-R18 IonicContact OE2-NH2 3.93Å; E15-R18 PolarHBondContact OE2-NH2 2.75Å; E15-I19 HydrophobicContact CG-CD1 4.11Å; E15-I19 VanDerWaalsContact O-CG1 3.3Å; E15-I19 WeakPolarHBondContact O-CG1 3.46Å; E15-I19 PolarHBondContact O-N 2.99Å
16	A	61.1	Low	54.4	Low	22 Å²	22	88 Å²	88	18%	0.182	48%	0.482	C	S	.	.	H	α-helix	trans	-65.2	-41.2	172.7	0	0	0	0	0	112	N12 L13 R18 I19 L20 L56	N12-A16 WeakPolarHBondContact O-CB 3.39Å; N12-A16 PolarHBondContact O-N 3.23Å; L13-A16 PolarHBondContact O-N 2.68Å; A16-R18 VanDerWaalsContact C-N 3.29Å; A16-R18 PolarHBondContact O-N 2.97Å; A16-I19 PolarHBondContact O-N 3.39Å; A16-L20 VanDerWaalsContact O-CB 3.32Å; A16-L20 WeakPolarHBondContact O-CB 3.22Å; A16-L20 VanDerWaalsContact O-CG 3.24Å; A16-L20 WeakPolarHBondContact O-CG 3.04Å; A16-L20 PolarHBondContact O-N 3.46Å; A16-L56 HydrophobicContact CB-CD1 4.4Å; A16-L56 HydrophobicContact CB-CD2 4.11Å
17	M	60.9	Low	53.6	Low	97 Å²	97	90.6 Å²	90.6	48%	0.478	50%	0.503	S	S	.	.	H	α-helix	trans	-65.4	-31.6	174.5	-74.1	179.4	66.7	0	0	112.5	L13 N14 G21	L13-M17 HydrophobicContact CD2-SD 4.46Å; L13-M17 HydrophobicContact CG-SD 4.2Å; L13-M17 WeakPolarHBondContact O-CB 3.38Å; L13-M17 VanDerWaalsContact O-CG 3.31Å; L13-M17 WeakPolarHBondContact O-CG 3.41Å; L13-M17 PolarHBondContact O-N 3.38Å; N14-M17 PolarHBondContact O-N 3.04Å; M17-G21 WeakPolarHBondContact O-CA 3.45Å; M17-G21 PolarHBondContact O-N 3.44Å
18	R	62.6	Low	52.4	Low	112 Å²	112	95.5 Å²	95.5	42%	0.423	52%	0.521	S	S	.	.	H	α-helix	trans	-67	-51.3	172.2	-169.4	170.8	73.2	90.6	-1.8	110.7	N14 E15 A16 L20 G21 D22	N14-R18 WeakPolarHBondContact O-CB 3.33Å; N14-R18 PolarHBondContact O-N 3.2Å; E15-R18 VanDerWaalsContact CD-NH2 3.26Å; E15-R18 WeakPolarHBondContact O-CB 3.32Å; E15-R18 PolarHBondContact O-N 2.9Å; E15-R18 IonicContact OE1-CZ 2.64Å; E15-R18 IonicContact OE1-NE 2.68Å; E15-R18 IonicContact OE1-NH2 3.43Å; E15-R18 PolarHBondContact OE1-NH2 2.94Å; E15-R18 IonicContact OE2-CZ 2.73Å; E15-R18 IonicContact OE2-NE 3.85Å; E15-R18 PolarHBondContact OE2-NE 2.81Å; E15-R18 IonicContact OE2-NH2 3.93Å; E15-R18 PolarHBondContact OE2-NH2 2.75Å; A16-R18 VanDerWaalsContact C-N 3.29Å; A16-R18 PolarHBondContact O-N 2.97Å; R18-L20 PolarHBondContact O-N 3.02Å; R18-G21 PolarHBondContact O-N 3.2Å; R18-G21 VanDerWaalsContact O-N 3.15Å; R18-D22 WeakPolarHBondContact CG-OD2 3.48Å; R18-D22 WeakPolarHBondContact O-CB 3.42Å; R18-D22 PolarHBondContact O-N 2.65Å
19	I	60.8	Low	51.6	Low	43 Å²	43	95.7 Å²	95.7	22%	0.221	54%	0.54	C	S	.	.	H	α-helix	trans	-61.1	-29	177.4	-68	164.4	0	0	0	112.6	E15 A16 L56 H60	E15-I19 HydrophobicContact CG-CD1 4.11Å; E15-I19 VanDerWaalsContact O-CG1 3.3Å; E15-I19 WeakPolarHBondContact O-CG1 3.46Å; E15-I19 PolarHBondContact O-N 2.99Å; A16-I19 PolarHBondContact O-N 3.39Å; I19-L56 HydrophobicContact CD1-CD1 3.87Å; I19-L56 HydrophobicContact CG2-CB 4.21Å; I19-H60 PolarHBondContact O-CD2 3.42Å
20	L	57.5	Low	50.8	Low	54 Å²	54	95.3 Å²	95.3	28%	0.283	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.3	-4.9	178.5	-66.1	169.9	0	0	0	114.4	A16 R18 V59 H60 I63	A16-L20 VanDerWaalsContact O-CB 3.32Å; A16-L20 WeakPolarHBondContact O-CB 3.22Å; A16-L20 VanDerWaalsContact O-CG 3.24Å; A16-L20 WeakPolarHBondContact O-CG 3.04Å; A16-L20 PolarHBondContact O-N 3.46Å; R18-L20 PolarHBondContact O-N 3.02Å; L20-V59 HydrophobicContact CD2-CG1 4.38Å; L20-H60 HydrophobicContact CD2-CB 4.05Å; L20-I63 HydrophobicContact CD2-CD1 4.25Å
21	G	47.8	Very low	49.8	Very low	57 Å²	57	100.6 Å²	100.6	59%	0.588	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	-29.6	-175.6	0	0	0	0	0	114.2	M17 R18 G23	M17-G21 WeakPolarHBondContact O-CA 3.45Å; M17-G21 PolarHBondContact O-N 3.44Å; R18-G21 PolarHBondContact O-N 3.2Å; R18-G21 VanDerWaalsContact O-N 3.15Å; G21-G23 VanDerWaalsContact C-N 3.31Å; G21-G23 PolarHBondContact O-N 3.12Å
22	D	47.2	Very low	48.3	Very low	79 Å²	79	102.3 Å²	102.3	42%	0.422	59%	0.587	S	S	.	*			trans	-76.7	80.7	173	-72.6	-26.2	0	0	0	109.8	R18 Q24	R18-D22 WeakPolarHBondContact CG-OD2 3.48Å; R18-D22 WeakPolarHBondContact O-CB 3.42Å; R18-D22 PolarHBondContact O-N 2.65Å; D22-Q24 PolarHBondContact O-N 3.01Å
23	G	45.7	Very low	46.9	Very low	69 Å²	69	103.4 Å²	103.4	71%	0.711	60%	0.602	S	S	*	*	S	Bend	trans	-62.3	10.8	172	0	0	0	0	0	115.2	G21	G21-G23 VanDerWaalsContact C-N 3.31Å; G21-G23 PolarHBondContact O-N 3.12Å
24	Q	42	Very low	45.6	Very low	183 Å²	183	110.3 Å²	110.3	86%	0.855	62%	0.624	S	S	*	*			trans	-140.2	114	166.8	-69.1	-170.1	-9.2	0	0	109.5	D22	D22-Q24 PolarHBondContact O-N 3.01Å
25	M	41.9	Very low	44.3	Very low	146 Å²	146	115.8 Å²	115.8	72%	0.719	64%	0.637	S	S	*	*			trans	-124.9	132.5	162.1	-88.9	-81.4	-74.7	0	0	107.9
26	E	34.5	Very low	43.2	Very low	178 Å²	178	120.3 Å²	120.3	83%	0.832	66%	0.656	S	S	*	*			trans	-62.1	148.1	176.6	-70.5	-163.8	138.3	0	0	110.9	D28	E26-D28 VanDerWaalsContact C-N 3.33Å; E26-D28 PolarHBondContact O-N 2.83Å
27	P	35.1	Very low	42.2	Very low	129 Å²	129	123.5 Å²	123.5	84%	0.838	68%	0.677	S	S	*	*			trans	-70.3	88.8	177.4	29.5	-34.8	0	0	0	110.3	A29	P27-A29 PolarHBondContact O-N 2.76Å
28	D	31.4	Very low	41.4	Very low	158 Å²	158	128.7 Å²	128.7	85%	0.845	69%	0.691	S	S	*	*			trans	-57.1	136.5	-175.9	-163.7	5.7	0	0	0	111.5	E26 G30	E26-D28 VanDerWaalsContact C-N 3.33Å; E26-D28 PolarHBondContact O-N 2.83Å; D28-G30 VanDerWaalsContact C-N 3.3Å; D28-G30 PolarHBondContact O-N 3.03Å
29	A	36.9	Very low	40.5	Very low	101 Å²	101	129.2 Å²	129.2	84%	0.835	71%	0.706	S	S	*	*	S	Bend	trans	-85.1	62.5	-145.3	0	0	0	0	0	114.5	P27	P27-A29 PolarHBondContact O-N 2.76Å
30	G	36.6	Very low	40.1	Very low	63 Å²	63	129.6 Å²	129.6	65%	0.649	71%	0.713	S	S	*	*			trans	111.1	106.9	149.5	0	0	0	0	0	116.8	D28	D28-G30 VanDerWaalsContact C-N 3.3Å; D28-G30 PolarHBondContact O-N 3.03Å
31	T	33	Very low	40.3	Very low	139 Å²	139	133.6 Å²	133.6	85%	0.853	73%	0.733	S	S	*	*	S	Bend	trans	-141.9	138.1	133	-58.8	0	0	0	0	108.7
32	E	32.8	Very low	41	Very low	172 Å²	172	134.1 Å²	134.1	80%	0.804	73%	0.726	S	S	*	*			trans	6.2	109.6	177.7	-60.7	-169.1	158.9	0	0	119.1	R34	E32-R34 PolarHBondContact O-N 3.46Å
33	S	31.4	Very low	42	Very low	119 Å²	119	132.8 Å²	132.8	83%	0.832	73%	0.731	S	S	*	*			trans	-61.3	96.9	165.9	179.5	0	0	0	0	111.3
34	R	35.2	Very low	43.4	Very low	200 Å²	200	134.8 Å²	134.8	76%	0.755	73%	0.732	S	S	*	*			trans	-74.3	121	157.4	-76.4	-173.2	173.2	-172.5	-1.4	108.2	E32 F36	E32-R34 PolarHBondContact O-N 3.46Å; R34-F36 HydrophobicContact CB-CE2 4.47Å; R34-F36 WeakPolarHBondContact O-CD2 3.29Å; R34-F36 PolarHBondContact O-N 2.92Å
35	R	33.6	Very low	45.1	Very low	225 Å²	225	134.8 Å²	134.8	85%	0.849	74%	0.737	S	S	*	*			trans	-66.1	101.5	174.5	-66.8	174.6	176.1	171.3	-4.3	109.7	S37	R35-S37 PolarHBondContact O-N 3.32Å
36	F	39.5	Very low	46.8	Very low	181 Å²	181	134 Å²	134	79%	0.794	73%	0.731	S	S	*	*			trans	-77.5	92.9	162.1	-70	-83.4	0	0	0	107.9	R34	R34-F36 HydrophobicContact CB-CE2 4.47Å; R34-F36 WeakPolarHBondContact O-CD2 3.29Å; R34-F36 PolarHBondContact O-N 2.92Å
37	S	40.2	Very low	48.8	Very low	89 Å²	89	129.7 Å²	129.7	62%	0.622	74%	0.735	S	S	*	*			trans	-109.4	111.1	-176.5	57.6	0	0	0	0	111.5	R35 T39	R35-S37 PolarHBondContact O-N 3.32Å; S37-T39 PolarHBondContact O-N 3.35Å; S37-T39 VanDerWaalsContact O-N 3.15Å
38	R	43.3	Very low	51	Low	205 Å²	205	130.4 Å²	130.4	77%	0.774	73%	0.732	S	S	*	*	S	Bend	trans	35.8	58.2	166	-78.4	-169.8	165.2	-172.7	-5.5	115.7	D68	R38-D68 IonicContact CZ-OD2 2.7Å; R38-D68 IonicContact NE-OD2 3.69Å; R38-D68 IonicContact NH2-OD2 3.59Å; R38-D68 PolarHBondContact NH2-OD2 2.86Å
39	T	44.3	Very low	53.4	Low	123 Å²	123	126.9 Å²	126.9	76%	0.755	73%	0.733	S	S	*	*			trans	-144	81.7	152.4	56.4	0	0	0	0	108.1	S37	S37-T39 PolarHBondContact O-N 3.35Å; S37-T39 VanDerWaalsContact O-N 3.15Å
40	S	52.3	Low	55.6	Low	52 Å²	52	126.8 Å²	126.8	36%	0.364	72%	0.715	S	S	.	*			trans	-64.2	-47.4	-178.5	6.7	0	0	0	0	112.2	E65	S40-E65 WeakPolarHBondContact CB-OE1 3.16Å; S40-E65 WeakPolarHBondContact CB-OE2 3.34Å
41	I	60.6	Low	57.7	Low	138 Å²	138	127.7 Å²	127.7	71%	0.708	71%	0.705	S	S	*	*	S	Bend	trans	-55.3	122.1	173.2	-57.6	171.4	0	0	0	108.7	G43	I41-G43 PolarHBondContact O-N 3.33Å
42	P	63.4	Low	59.9	Low	68 Å²	68	126.1 Å²	126.1	44%	0.442	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-59.1	126.2	177.7	23.8	-34.6	0	0	0	109.6	L62	P42-L62 HydrophobicContact CG-CD1 4.16Å
43	G	68.1	Low	62.1	Low	51 Å²	51	121.5 Å²	121.5	53%	0.526	68%	0.678	S	S	.	*	P	Polyproline II helix	trans	-58.6	167.7	178.8	0	0	0	0	0	112.8	I41 L45	I41-G43 PolarHBondContact O-N 3.33Å; G43-L45 PolarHBondContact O-N 3.49Å
44	P	75.6	Confident	64.4	Low	111 Å²	111	118.4 Å²	118.4	72%	0.721	65%	0.654	S	S	*	*	S	Bend	trans	-52.3	142.3	-180	23.7	-34.8	0	0	0	111.3	Q46	P44-Q46 PolarHBondContact O-N 2.94Å; P44-Q46 VanDerWaalsContact O-N 3.12Å; P44-Q46 PolarHBondContact O-NE2 3.31Å
45	L	77	Confident	66.6	Low	182 Å²	182	112.6 Å²	112.6	95%	0.953	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-47.2	120.1	-176.5	-71.2	174.6	0	0	0	110.7	G43	G43-L45 PolarHBondContact O-N 3.49Å
46	Q	78.3	Confident	68.6	Low	129 Å²	129	103.3 Å²	103.3	60%	0.603	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-68.6	154.2	-177.8	-61.4	-61.8	-51.2	0	0	110.7	P44 D48	P44-Q46 PolarHBondContact O-N 2.94Å; P44-Q46 VanDerWaalsContact O-N 3.12Å; P44-Q46 PolarHBondContact O-NE2 3.31Å; Q46-D48 PolarHBondContact O-N 3.47Å
47	G	76.6	Confident	70.4	Confident	88 Å²	88	100.4 Å²	100.4	91%	0.907	59%	0.593	S	S	*	*	S	Bend	trans	-67.6	-25	178.2	0	0	0	0	0	113.8
48	D	80.9	Confident	72.3	Confident	145 Å²	145	98.5 Å²	98.5	78%	0.775	58%	0.576	S	S	*	*	S	Bend	trans	-107.1	146.5	176.3	-65.4	-54.4	0	0	0	110.9	Q46	Q46-D48 PolarHBondContact O-N 3.47Å
49	G	81.9	Confident	74	Confident	84 Å²	84	91.6 Å²	91.6	87%	0.866	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-73.5	141.9	179.1	0	0	0	0	0	113.2
50	Q	82.1	Confident	75.4	Confident	99 Å²	99	88.4 Å²	88.4	46%	0.463	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-87.1	159	172.6	-67.1	175.5	-12.3	0	0	111.6	I55 L58	Q50-I55 HydrophobicContact CB-CD1 4.14Å; Q50-I55 HydrophobicContact CB-CG1 3.91Å; Q50-L58 VanDerWaalsContact OE1-CD1 3.32Å
51	D	82.5	Confident	76.5	Confident	81 Å²	81	90.6 Å²	90.6	43%	0.433	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-77.7	157	171	66.4	-54.7	0	0	0	111.8	T53 T54 I55	D51-T53 PolarHBondContact O-N 2.96Å; D51-T53 VanDerWaalsContact OD2-CB 3.29Å; D51-T53 WeakPolarHBondContact OD2-CB 3.47Å; D51-T53 PolarHBondContact OD2-OG1 2.89Å; D51-T54 PolarHBondContact O-N 3.47Å; D51-T54 WeakPolarHBondContact OD1-CB 3.28Å; D51-T54 PolarHBondContact OD1-OG1 3.27Å; D51-T54 PolarHBondContact OD2-N 3.39Å; D51-I55 WeakPolarHBondContact O-CG1 3.3Å; D51-I55 PolarHBondContact O-N 2.86Å; D51-I55 VanDerWaalsContact O-N 3.08Å
52	V	78.2	Confident	77.3	Confident	107 Å²	107	88.1 Å²	88.1	65%	0.648	53%	0.525	S	S	*	.	H	α-helix	trans	-60.4	-34.2	-177.1	-178.6	0	0	0	0	111.6	I55 L56	V52-I55 PolarHBondContact O-N 3.3Å; V52-L56 HydrophobicContact CG1-CD1 4.04Å; V52-L56 HydrophobicContact CG1-CG 4.3Å; V52-L56 WeakPolarHBondContact O-CB 3.25Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 2.92Å
53	T	78.7	Confident	77.7	Confident	74 Å²	74	88.7 Å²	88.7	45%	0.454	52%	0.523	S	S	.	.	H	α-helix	trans	-65.2	-49.1	177.5	9.9	0	0	0	0	112.1	D51 I55 L56 H57	D51-T53 PolarHBondContact O-N 2.96Å; D51-T53 VanDerWaalsContact OD2-CB 3.29Å; D51-T53 WeakPolarHBondContact OD2-CB 3.47Å; D51-T53 PolarHBondContact OD2-OG1 2.89Å; T53-I55 VanDerWaalsContact C-N 3.3Å; T53-I55 PolarHBondContact O-N 3.34Å; T53-L56 PolarHBondContact O-N 3.08Å; T53-H57 PolarHBondContact O-CD2 3.33Å; T53-H57 PolarHBondContact O-N 3.14Å
54	T	80.4	Confident	77.6	Confident	54 Å²	54	90.7 Å²	90.7	33%	0.331	52%	0.519	S	S	.	.	H	α-helix	trans	-60.1	-39.7	172.7	-60.5	0	0	0	0	112.1	D51 H57 L58	D51-T54 PolarHBondContact O-N 3.47Å; D51-T54 WeakPolarHBondContact OD1-CB 3.28Å; D51-T54 PolarHBondContact OD1-OG1 3.27Å; D51-T54 PolarHBondContact OD2-N 3.39Å; T54-H57 PolarHBondContact O-N 2.78Å; T54-L58 HydrophobicContact CG2-CD1 4.1Å; T54-L58 HydrophobicContact CG2-CG 4.48Å; T54-L58 WeakPolarHBondContact O-CG 3.43Å; T54-L58 PolarHBondContact O-N 2.98Å
55	I	80.1	Confident	76.9	Confident	78 Å²	78	89 Å²	89	40%	0.4	50%	0.502	S	S	.	.	H	α-helix	trans	-65	-42.8	178.4	-64.9	165.5	0	0	0	111.1	Q50 D51 V52 T53 L58 V59	Q50-I55 HydrophobicContact CB-CD1 4.14Å; Q50-I55 HydrophobicContact CB-CG1 3.91Å; D51-I55 WeakPolarHBondContact O-CG1 3.3Å; D51-I55 PolarHBondContact O-N 2.86Å; D51-I55 VanDerWaalsContact O-N 3.08Å; V52-I55 PolarHBondContact O-N 3.3Å; T53-I55 VanDerWaalsContact C-N 3.3Å; T53-I55 PolarHBondContact O-N 3.34Å; I55-L58 PolarHBondContact O-N 3.33Å; I55-V59 WeakPolarHBondContact O-CG2 3.12Å; I55-V59 PolarHBondContact O-N 2.91Å
56	L	77.3	Confident	75.6	Confident	31 Å²	31	88.3 Å²	88.3	16%	0.162	49%	0.493	C	S	.	.	H	α-helix	trans	-65.5	-37.2	175.2	-73.9	172.9	0	0	0	112	A16 I19 V52 T53 V59 H60	A16-L56 HydrophobicContact CB-CD1 4.4Å; A16-L56 HydrophobicContact CB-CD2 4.11Å; I19-L56 HydrophobicContact CD1-CD1 3.87Å; I19-L56 HydrophobicContact CG2-CB 4.21Å; V52-L56 HydrophobicContact CG1-CD1 4.04Å; V52-L56 HydrophobicContact CG1-CG 4.3Å; V52-L56 WeakPolarHBondContact O-CB 3.25Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 2.92Å; T53-L56 PolarHBondContact O-N 3.08Å; L56-V59 PolarHBondContact O-N 2.93Å; L56-H60 WeakPolarHBondContact O-CB 3.45Å; L56-H60 PolarHBondContact O-N 3.35Å
57	H	75.9	Confident	74	Confident	119 Å²	119	91 Å²	91	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-67.2	-38	175.6	-72.6	-150.9	0	0	0	111.8	T53 T54 H60 H61	T53-H57 PolarHBondContact O-CD2 3.33Å; T53-H57 PolarHBondContact O-N 3.14Å; T54-H57 PolarHBondContact O-N 2.78Å; H57-H60 PolarHBondContact O-N 3.01Å; H57-H61 WeakPolarHBondContact O-CB 3.27Å; H57-H61 PolarHBondContact O-N 3.4Å
58	L	80.1	Confident	72.3	Confident	50 Å²	50	92.2 Å²	92.2	26%	0.262	49%	0.492	S	S	.	.	H	α-helix	trans	-64.2	-41.9	172.8	-74.7	166.2	0	0	0	111.8	Q50 T54 I55 H61 L62	Q50-L58 VanDerWaalsContact OE1-CD1 3.32Å; T54-L58 HydrophobicContact CG2-CD1 4.1Å; T54-L58 HydrophobicContact CG2-CG 4.48Å; T54-L58 WeakPolarHBondContact O-CG 3.43Å; T54-L58 PolarHBondContact O-N 2.98Å; I55-L58 PolarHBondContact O-N 3.33Å; L58-H61 PolarHBondContact O-N 3.38Å; L58-L62 WeakPolarHBondContact O-CG 3.31Å; L58-L62 PolarHBondContact O-N 3.11Å; L58-L62 VanDerWaalsContact O-N 3.08Å
59	V	79.9	Confident	70.3	Confident	60 Å²	60	93.6 Å²	93.6	36%	0.364	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-40.4	174.8	170.9	0	0	0	0	111.4	L20 I55 L56 L62 I63	L20-V59 HydrophobicContact CD2-CG1 4.38Å; I55-V59 WeakPolarHBondContact O-CG2 3.12Å; I55-V59 PolarHBondContact O-N 2.91Å; L56-V59 PolarHBondContact O-N 2.93Å; V59-L62 PolarHBondContact O-N 2.96Å; V59-I63 HydrophobicContact CG1-CD1 3.77Å; V59-I63 WeakPolarHBondContact O-CD1 3.38Å; V59-I63 VanDerWaalsContact O-CG1 3.26Å; V59-I63 WeakPolarHBondContact O-CG1 3.41Å; V59-I63 PolarHBondContact O-N 3.35Å
60	H	73.9	Confident	68.3	Low	55 Å²	55	99 Å²	99	26%	0.255	50%	0.496	S	S	.	.	H	α-helix	trans	-61.3	-43.6	174.5	-175.9	-63.5	0	0	0	111.6	I19 L20 L56 H57 I63 H64	I19-H60 PolarHBondContact O-CD2 3.42Å; L20-H60 HydrophobicContact CD2-CB 4.05Å; L56-H60 WeakPolarHBondContact O-CB 3.45Å; L56-H60 PolarHBondContact O-N 3.35Å; H57-H60 PolarHBondContact O-N 3.01Å; H60-I63 PolarHBondContact O-N 3.12Å; H60-H64 AromaticContact CD2-CE1 3.95Å; H60-H64 AromaticContact CE1-CE1 3.42Å; H60-H64 PolarHBondContact CE1-CE1 3.14Å; H60-H64 VanDerWaalsContact CE1-CE1 3.42Å; H60-H64 AromaticContact CE1-CG 3.78Å; H60-H64 AromaticContact CE1-ND1 3.22Å; H60-H64 PolarHBondContact CE1-ND1 3.4Å; H60-H64 AromaticContact CG-ND1 3.84Å; H60-H64 AromaticContact ND1-CE1 3.83Å; H60-H64 AromaticContact ND1-ND1 3.28Å; H60-H64 PolarHBondContact ND1-ND1 2.96Å; H60-H64 AromaticContact NE2-CE1 3.5Å; H60-H64 AromaticContact NE2-ND1 3.76Å; H60-H64 PolarHBondContact O-N 2.94Å; H60-H64 PolarHBondContact O-ND1 2.89Å
61	H	74.3	Confident	66.1	Low	98 Å²	98	101.3 Å²	101.3	45%	0.454	51%	0.512	S	S	.	.	H	α-helix	trans	-59.1	-50.7	176.9	-164.4	-72.9	0	0	0	110.7	H57 L58 I63 H64 E65	H57-H61 WeakPolarHBondContact O-CB 3.27Å; H57-H61 PolarHBondContact O-N 3.4Å; L58-H61 PolarHBondContact O-N 3.38Å; H61-I63 PolarHBondContact O-N 2.91Å; H61-H64 CarbonylContact O-C 3.59Å; H61-H64 PolarHBondContact O-N 3.01Å; H61-E65 IonicContact CE1-OE1 2.73Å; H61-E65 PolarHBondContact CE1-OE1 2.83Å; H61-E65 IonicContact CG-OE1 3.44Å; H61-E65 IonicContact ND1-OE1 3.58Å; H61-E65 PolarHBondContact ND1-OE1 2.83Å; H61-E65 WeakPolarHBondContact O-CG 3.4Å; H61-E65 PolarHBondContact O-N 3.23Å; H61-E65 VanDerWaalsContact O-N 3.11Å
62	L	78.1	Confident	64	Low	86 Å²	86	102 Å²	102	45%	0.45	54%	0.537	S	S	.	.	H	α-helix	trans	-63	-11.8	177.7	-71.9	168	0	0	0	115.3	P42 L58 V59	P42-L62 HydrophobicContact CG-CD1 4.16Å; L58-L62 WeakPolarHBondContact O-CG 3.31Å; L58-L62 PolarHBondContact O-N 3.11Å; L58-L62 VanDerWaalsContact O-N 3.08Å; V59-L62 PolarHBondContact O-N 2.96Å
63	I	71.3	Confident	62	Low	81 Å²	81	100.3 Å²	100.3	42%	0.415	53%	0.531	S	S	.	.	H	α-helix	trans	-96.7	-21.7	175.4	-69.8	165.8	0	0	0	111.7	L20 V59 H60 H61 I80	L20-I63 HydrophobicContact CD2-CD1 4.25Å; V59-I63 HydrophobicContact CG1-CD1 3.77Å; V59-I63 WeakPolarHBondContact O-CD1 3.38Å; V59-I63 VanDerWaalsContact O-CG1 3.26Å; V59-I63 WeakPolarHBondContact O-CG1 3.41Å; V59-I63 PolarHBondContact O-N 3.35Å; H60-I63 PolarHBondContact O-N 3.12Å; H61-I63 PolarHBondContact O-N 2.91Å; I63-I80 HydrophobicContact CG2-CD1 3.62Å; I63-I80 HydrophobicContact CG2-CG1 3.95Å
64	H	65.6	Low	59.9	Low	92 Å²	92	105 Å²	105	43%	0.426	55%	0.553	S	S	.	*	S	Bend	trans	-121	21.6	-173.1	-62.3	89.6	0	0	0	112.9	H60 H61 E66	H60-H64 AromaticContact CD2-CE1 3.95Å; H60-H64 AromaticContact CE1-CE1 3.42Å; H60-H64 PolarHBondContact CE1-CE1 3.14Å; H60-H64 VanDerWaalsContact CE1-CE1 3.42Å; H60-H64 AromaticContact CE1-CG 3.78Å; H60-H64 AromaticContact CE1-ND1 3.22Å; H60-H64 PolarHBondContact CE1-ND1 3.4Å; H60-H64 AromaticContact CG-ND1 3.84Å; H60-H64 AromaticContact ND1-CE1 3.83Å; H60-H64 AromaticContact ND1-ND1 3.28Å; H60-H64 PolarHBondContact ND1-ND1 2.96Å; H60-H64 AromaticContact NE2-CE1 3.5Å; H60-H64 AromaticContact NE2-ND1 3.76Å; H60-H64 PolarHBondContact O-N 2.94Å; H60-H64 PolarHBondContact O-ND1 2.89Å; H61-H64 CarbonylContact O-C 3.59Å; H61-H64 PolarHBondContact O-N 3.01Å; H64-E66 PolarHBondContact O-N 2.9Å
65	E	60.8	Low	57.7	Low	77 Å²	77	110.8 Å²	110.8	36%	0.36	57%	0.574	S	S	.	*			trans	-72.4	109.5	173.2	-89.9	167.2	-139.8	0	0	110.3	S40 H61	S40-E65 WeakPolarHBondContact CB-OE1 3.16Å; S40-E65 WeakPolarHBondContact CB-OE2 3.34Å; H61-E65 IonicContact CE1-OE1 2.73Å; H61-E65 PolarHBondContact CE1-OE1 2.83Å; H61-E65 IonicContact CG-OE1 3.44Å; H61-E65 IonicContact ND1-OE1 3.58Å; H61-E65 PolarHBondContact ND1-OE1 2.83Å; H61-E65 WeakPolarHBondContact O-CG 3.4Å; H61-E65 PolarHBondContact O-N 3.23Å; H61-E65 VanDerWaalsContact O-N 3.11Å
66	E	51.4	Low	55.5	Low	167 Å²	167	111.4 Å²	111.4	78%	0.78	59%	0.59	S	S	*	*			trans	-63.2	139.7	164.7	-63.1	168.9	151.5	0	0	109.1	H64 D68	H64-E66 PolarHBondContact O-N 2.9Å; E66-D68 PolarHBondContact O-N 3.38Å
67	E	43.9	Very low	53.6	Low	184 Å²	184	114.7 Å²	114.7	86%	0.86	62%	0.616	S	S	*	*			trans	-71.7	81.9	167.9	-71	-173.8	147.2	0	0	108.6	E69	E67-E69 PolarHBondContact O-N 3.24Å
68	D	40.9	Very low	51.8	Low	115 Å²	115	117.5 Å²	117.5	62%	0.615	63%	0.629	S	S	*	*			trans	-70.1	51.4	-179	-168	43.6	0	0	0	111.8	R38 E66	R38-D68 IonicContact CZ-OD2 2.7Å; R38-D68 IonicContact NE-OD2 3.69Å; R38-D68 IonicContact NH2-OD2 3.59Å; R38-D68 PolarHBondContact NH2-OD2 2.86Å; E66-D68 PolarHBondContact O-N 3.38Å
69	E	38.3	Very low	49.8	Very low	174 Å²	174	120.5 Å²	120.5	81%	0.813	65%	0.651	S	S	*	*			trans	-106.8	155.3	174.7	-62.9	-148.7	149.2	0	0	112.1	E67 D71	E67-E69 PolarHBondContact O-N 3.24Å; E69-D71 VanDerWaalsContact C-N 3.34Å; E69-D71 PolarHBondContact O-N 3.31Å; E69-D71 VanDerWaalsContact O-N 3.15Å
70	E	41.1	Very low	48.3	Very low	196 Å²	196	122.7 Å²	122.7	92%	0.916	66%	0.66	S	S	*	*	S	Bend	trans	-86.9	15	-150.3	-58.1	-177.7	126	0	0	115.9
71	D	34.7	Very low	47.2	Very low	149 Å²	149	126.6 Å²	126.6	80%	0.797	68%	0.678	S	S	*	*			trans	-103.8	127	-177.2	-84.1	-46.1	0	0	0	113.4	E69 S73	E69-D71 VanDerWaalsContact C-N 3.34Å; E69-D71 PolarHBondContact O-N 3.31Å; E69-D71 VanDerWaalsContact O-N 3.15Å; D71-S73 VanDerWaalsContact C-N 3.26Å; D71-S73 PolarHBondContact O-N 2.68Å
72	G	38.1	Very low	46	Very low	94 Å²	94	129 Å²	129	97%	0.969	70%	0.695	S	S	*	*			trans	-76.8	49.9	-169.7	0	0	0	0	0	116.5
73	S	36.8	Very low	45.1	Very low	73 Å²	73	126.8 Å²	126.8	51%	0.51	68%	0.684	S	S	.	*			trans	-101.1	119.2	168.6	69.5	0	0	0	0	110.9	D71 K75	D71-S73 VanDerWaalsContact C-N 3.26Å; D71-S73 PolarHBondContact O-N 2.68Å; S73-K75 PolarHBondContact O-N 2.85Å
74	D	34.1	Very low	44.7	Very low	173 Å²	173	125.1 Å²	125.1	93%	0.925	69%	0.688	S	S	*	*			trans	-69.2	68.3	172.6	-79.3	-44.9	0	0	0	111.5	A76	D74-A76 PolarHBondContact O-N 2.64Å
75	K	35.4	Very low	44.7	Very low	175 Å²	175	127.7 Å²	127.7	76%	0.761	70%	0.7	S	S	*	*			trans	-72.5	82.7	166.6	-76.6	-179.3	-178.1	169.4	0	108.4	S73 S77	S73-K75 PolarHBondContact O-N 2.85Å; K75-S77 PolarHBondContact O-N 2.74Å; K75-S77 VanDerWaalsContact O-N 3.13Å
76	A	34.2	Very low	45	Very low	90 Å²	90	127 Å²	127	74%	0.744	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-46.1	120.5	178.1	0	0	0	0	0	110.5	D74 Q78	D74-A76 PolarHBondContact O-N 2.64Å; A76-Q78 PolarHBondContact O-N 2.98Å; A76-Q78 VanDerWaalsContact O-N 3.13Å
77	S	37.1	Very low	46.1	Very low	101 Å²	101	119.2 Å²	119.2	71%	0.706	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-54.5	119.3	-177.2	43.1	0	0	0	0	109.9	K75 P79	K75-S77 PolarHBondContact O-N 2.74Å; K75-S77 VanDerWaalsContact O-N 3.13Å; S77-P79 WeakPolarHBondContact O-CD 3.45Å; S77-P79 VanDerWaalsContact O-N 3.1Å
78	Q	37.8	Very low	47.8	Very low	178 Å²	178	114 Å²	114	83%	0.832	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-61.8	116.8	174.4	-71.2	-166.6	3.9	0	0	107.6	A76	A76-Q78 PolarHBondContact O-N 2.98Å; A76-Q78 VanDerWaalsContact O-N 3.13Å
79	P	38	Very low	49.9	Very low	112 Å²	112	110.5 Å²	110.5	73%	0.727	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-61.3	156.7	178.6	-20.5	33.1	0	0	0	109.6	S77 Q81	S77-P79 WeakPolarHBondContact O-CD 3.45Å; S77-P79 VanDerWaalsContact O-N 3.1Å; P79-Q81 PolarHBondContact O-N 3.19Å
80	I	47.3	Very low	52.2	Low	107 Å²	107	102.2 Å²	102.2	55%	0.549	58%	0.578	S	S	.	*	S	Bend	trans	-46.4	114.2	162.6	-57.9	170.9	0	0	0	106.8	I63 N82	I63-I80 HydrophobicContact CG2-CD1 3.62Å; I63-I80 HydrophobicContact CG2-CG1 3.95Å; I80-N82 PolarHBondContact O-N 3.17Å
81	Q	51.7	Low	54.4	Low	136 Å²	136	96.3 Å²	96.3	64%	0.636	55%	0.553	S	S	*	*			trans	-47.2	117	-170.1	-79.4	-172.4	-16.2	0	0	109.5	P79 V83	P79-Q81 PolarHBondContact O-N 3.19Å; Q81-V83 WeakPolarHBondContact O-CG2 3.29Å; Q81-V83 PolarHBondContact O-N 3.39Å
82	N	49.8	Very low	56.9	Low	149 Å²	149	92.7 Å²	92.7	80%	0.797	53%	0.533	S	S	*	.			trans	-62.1	100.6	-164.9	-170.7	-1.5	0	0	0	110.1	I80 G84	I80-N82 PolarHBondContact O-N 3.17Å; N82-G84 VanDerWaalsContact C-N 3.35Å; N82-G84 PolarHBondContact O-N 3Å
83	V	59	Low	59.4	Low	39 Å²	39	88.2 Å²	88.2	24%	0.236	49%	0.487	C	S	.	.			trans	-75.3	90.7	-168.2	-172.8	0	0	0	0	108.5	Q81 G87 H88 L91 P304	Q81-V83 WeakPolarHBondContact O-CG2 3.29Å; Q81-V83 PolarHBondContact O-N 3.39Å; V83-G87 VanDerWaalsContact CG1-C 3.45Å; V83-H88 PolarHBondContact O-CE1 2.71Å; V83-H88 PolarHBondContact O-ND1 2.62Å; V83-H88 PolarHBondContact O-NE2 3.23Å; V83-L91 HydrophobicContact CG1-CD1 4.03Å; V83-L91 HydrophobicContact CG2-CD1 4.37Å; V83-P304 HydrophobicContact CG1-CG 4.23Å
84	G	62.6	Low	61.9	Low	47 Å²	47	88.1 Å²	88.1	49%	0.485	48%	0.478	S	S	.	.			trans	-52.1	155.3	172.4	0	0	0	0	0	111.4	N82 Q86 G87	N82-G84 VanDerWaalsContact C-N 3.35Å; N82-G84 PolarHBondContact O-N 3Å; G84-Q86 PolarHBondContact O-N 2.55Å; G84-G87 PolarHBondContact O-N 2.8Å
85	E	65.4	Low	64.5	Low	146 Å²	146	82.4 Å²	82.4	68%	0.682	45%	0.452	S	S	*	.	H	α-helix	trans	-44.4	-30.2	-169.1	-59	-172.2	158.7	0	0	115.7	H88 Y345	E85-H88 WeakPolarHBondContact O-CB 3.28Å; E85-H88 PolarHBondContact O-N 3.34Å; E85-Y345 PolarHBondContact OE2-OH 2.62Å
86	Q	67.6	Low	67.1	Low	62 Å²	62	77 Å²	77	29%	0.29	43%	0.431	S	S	.	.	H	α-helix	trans	-77.8	-30.5	-175.7	-38.4	-170	-23.5	0	0	112.2	G84 M89 L303 Y345 L346	G84-Q86 PolarHBondContact O-N 2.55Å; Q86-M89 WeakPolarHBondContact O-CB 3.46Å; Q86-M89 PolarHBondContact O-N 3.45Å; Q86-L303 HydrophobicContact CB-CD2 4.33Å; Q86-L303 WeakPolarHBondContact O-CD2 3.35Å; Q86-Y345 HydrophobicContact CB-CE1 4.16Å; Q86-Y345 HydrophobicContact CG-CE1 3.84Å; Q86-L346 HydrophobicContact CG-CD2 4.48Å
87	G	74.2	Confident	69.8	Low	3 Å²	3	73.5 Å²	73.5	3%	0.031	40%	0.402	C	S	.	.	H	α-helix	trans	-74.5	-29.8	172.3	0	0	0	0	0	112.7	V83 G84 M89 A90 L91 P304	V83-G87 VanDerWaalsContact CG1-C 3.45Å; G84-G87 PolarHBondContact O-N 2.8Å; G87-M89 PolarHBondContact O-N 2.71Å; G87-A90 WeakPolarHBondContact O-CB 3.44Å; G87-A90 PolarHBondContact O-N 2.98Å; G87-L91 PolarHBondContact O-N 3.06Å; G87-L91 VanDerWaalsContact O-N 3.08Å; G87-P304 VanDerWaalsContact CA-CD 3.45Å
88	H	79.1	Confident	72.3	Confident	74 Å²	74	71.7 Å²	71.7	34%	0.343	39%	0.393	S	S	.	.	H	α-helix	trans	-57.6	-34.3	169.3	-65.5	128.9	0	0	0	111.8	V83 E85 A90 L91 L92	V83-H88 PolarHBondContact O-CE1 2.71Å; V83-H88 PolarHBondContact O-ND1 2.62Å; V83-H88 PolarHBondContact O-NE2 3.23Å; E85-H88 WeakPolarHBondContact O-CB 3.28Å; E85-H88 PolarHBondContact O-N 3.34Å; H88-A90 VanDerWaalsContact C-N 3.33Å; H88-A90 PolarHBondContact O-N 3.5Å; H88-L91 PolarHBondContact O-N 3.47Å; H88-L92 VanDerWaalsContact O-CB 3.29Å; H88-L92 WeakPolarHBondContact O-CB 3.34Å; H88-L92 VanDerWaalsContact O-CG 3.22Å; H88-L92 WeakPolarHBondContact O-CG 3.4Å; H88-L92 PolarHBondContact O-N 3.08Å
89	M	85.5	Confident	74.7	Confident	42 Å²	42	65.8 Å²	65.8	21%	0.207	36%	0.364	C	S	.	.	H	α-helix	trans	-64.3	-34.3	174.7	-67.6	-59.3	-53.3	0	0	113.3	Q86 G87 L92 G93 L341 Y345	Q86-M89 WeakPolarHBondContact O-CB 3.46Å; Q86-M89 PolarHBondContact O-N 3.45Å; G87-M89 PolarHBondContact O-N 2.71Å; M89-L92 HydrophobicContact SD-CD1 4.24Å; M89-G93 PolarHBondContact O-N 3.24Å; M89-L341 HydrophobicContact CE-CB 4.19Å; M89-Y345 HydrophobicContact CG-CD1 4.26Å; M89-Y345 HydrophobicContact CG-CD2 3.71Å; M89-Y345 HydrophobicContact CG-CE2 4.25Å; M89-Y345 HydrophobicContact CG-CG 3.72Å; M89-Y345 HydrophobicContact SD-CD2 4.04Å; M89-Y345 HydrophobicContact SD-CG 4.49Å
90	A	87.6	Confident	77.2	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-70.3	-44.9	174.3	0	0	0	0	0	111.6	G87 H88 G93 H94 V306	G87-A90 WeakPolarHBondContact O-CB 3.44Å; G87-A90 PolarHBondContact O-N 2.98Å; H88-A90 VanDerWaalsContact C-N 3.33Å; H88-A90 PolarHBondContact O-N 3.5Å; A90-G93 WeakPolarHBondContact O-CA 3.47Å; A90-G93 PolarHBondContact O-N 2.91Å; A90-G93 VanDerWaalsContact O-N 3.09Å; A90-H94 PolarHBondContact O-CD2 3.17Å; A90-H94 VanDerWaalsContact O-CD2 3.31Å; A90-H94 PolarHBondContact O-N 2.94Å; A90-V306 HydrophobicContact CB-CG2 3.5Å
91	L	86.7	Confident	79.3	Confident	72 Å²	72	58.7 Å²	58.7	38%	0.377	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-41.2	176.9	-63.4	176.9	0	0	0	112.3	V83 G87 H88 G93 H94 S95	V83-L91 HydrophobicContact CG1-CD1 4.03Å; V83-L91 HydrophobicContact CG2-CD1 4.37Å; G87-L91 PolarHBondContact O-N 3.06Å; G87-L91 VanDerWaalsContact O-N 3.08Å; H88-L91 PolarHBondContact O-N 3.47Å; L91-G93 VanDerWaalsContact C-N 3.3Å; L91-G93 PolarHBondContact O-N 2.87Å; L91-H94 PolarHBondContact O-N 3.4Å; L91-S95 WeakPolarHBondContact O-CB 3.3Å; L91-S95 PolarHBondContact O-N 3.26Å; L91-S95 PolarHBondContact O-OG 3.35Å
92	L	86.3	Confident	81.1	Confident	73 Å²	73	58.1 Å²	58.1	38%	0.382	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-39.6	170.7	-74.9	170.5	0	0	0	111.1	L13 H88 M89 S95 L96	L13-L92 HydrophobicContact CD2-CD2 4.22Å; H88-L92 VanDerWaalsContact O-CB 3.29Å; H88-L92 WeakPolarHBondContact O-CB 3.34Å; H88-L92 VanDerWaalsContact O-CG 3.22Å; H88-L92 WeakPolarHBondContact O-CG 3.4Å; H88-L92 PolarHBondContact O-N 3.08Å; M89-L92 HydrophobicContact SD-CD1 4.24Å; L92-S95 PolarHBondContact O-N 2.97Å; L92-L96 VanDerWaalsContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CB 3.13Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 3.42Å
93	G	90.4	Very high	83	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-38	176.6	0	0	0	0	0	114.3	M89 A90 L91 A97 L341	M89-G93 PolarHBondContact O-N 3.24Å; A90-G93 WeakPolarHBondContact O-CA 3.47Å; A90-G93 PolarHBondContact O-N 2.91Å; A90-G93 VanDerWaalsContact O-N 3.09Å; L91-G93 VanDerWaalsContact C-N 3.3Å; L91-G93 PolarHBondContact O-N 2.87Å; G93-A97 WeakPolarHBondContact O-CB 3.5Å; G93-A97 PolarHBondContact O-N 2.93Å; G93-L341 VanDerWaalsContact CA-CD1 3.47Å
94	H	90.4	Very high	84.5	Confident	72 Å²	72	55.1 Å²	55.1	33%	0.333	31%	0.312	S	S	.	.	H	α-helix	trans	-65.9	-45.6	171.3	-76.9	-62.9	0	0	0	112	A90 L91 L96 A97 A98 A305	A90-H94 PolarHBondContact O-CD2 3.17Å; A90-H94 VanDerWaalsContact O-CD2 3.31Å; A90-H94 PolarHBondContact O-N 2.94Å; L91-H94 PolarHBondContact O-N 3.4Å; H94-L96 VanDerWaalsContact C-N 3.31Å; H94-L96 PolarHBondContact O-N 3.09Å; H94-A97 WeakPolarHBondContact O-CB 3.37Å; H94-A97 PolarHBondContact O-N 3.29Å; H94-A97 VanDerWaalsContact O-N 3.15Å; H94-A98 PolarHBondContact O-N 2.84Å; H94-A305 PolarHBondContact CE1-O 2.88Å; H94-A305 VanDerWaalsContact CE1-O 3.31Å; H94-A305 PolarHBondContact NE2-O 3.16Å
95	S	88.8	Confident	85.8	Confident	53 Å²	53	62.1 Å²	62.1	37%	0.371	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-42	176.5	-57.2	0	0	0	0	111.9	L91 L92 Y99	L91-S95 WeakPolarHBondContact O-CB 3.3Å; L91-S95 PolarHBondContact O-N 3.26Å; L91-S95 PolarHBondContact O-OG 3.35Å; L92-S95 PolarHBondContact O-N 2.97Å; S95-Y99 PolarHBondContact O-N 2.86Å
96	L	89.8	Confident	87.1	Confident	61 Å²	61	60.1 Å²	60.1	32%	0.319	31%	0.314	S	S	.	.	H	α-helix	trans	-70.8	-35.4	175.2	-72.5	169.9	0	0	0	112.3	L6 L92 H94 Y99 I100 L337 L341	L6-L96 HydrophobicContact CD1-CD2 4.46Å; L92-L96 VanDerWaalsContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CB 3.13Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 3.42Å; H94-L96 VanDerWaalsContact C-N 3.31Å; H94-L96 PolarHBondContact O-N 3.09Å; L96-Y99 PolarHBondContact O-N 2.86Å; L96-I100 HydrophobicContact CB-CD1 4.29Å; L96-I100 WeakPolarHBondContact O-CB 3.38Å; L96-I100 WeakPolarHBondContact O-CD1 3.47Å; L96-I100 WeakPolarHBondContact O-CG1 3.24Å; L96-I100 PolarHBondContact O-N 2.95Å; L96-L337 HydrophobicContact CB-CD2 4.09Å; L96-L341 HydrophobicContact CD1-CD1 3.95Å
97	A	91.5	Very high	88.2	Confident	16 Å²	16	65 Å²	65	13%	0.132	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-46	174.6	0	0	0	0	0	111.1	G93 H94 Y99 I100 S101 L334 L337	G93-A97 WeakPolarHBondContact O-CB 3.5Å; G93-A97 PolarHBondContact O-N 2.93Å; H94-A97 WeakPolarHBondContact O-CB 3.37Å; H94-A97 PolarHBondContact O-N 3.29Å; H94-A97 VanDerWaalsContact O-N 3.15Å; A97-Y99 PolarHBondContact O-N 3.46Å; A97-I100 PolarHBondContact O-N 2.92Å; A97-S101 PolarHBondContact O-N 3.32Å; A97-L334 HydrophobicContact CB-CB 4.09Å; A97-L334 WeakPolarHBondContact O-CD1 3.37Å; A97-L337 HydrophobicContact CB-CD2 4.09Å
98	A	89.7	Confident	89	Confident	64 Å²	64	65.3 Å²	65.3	53%	0.529	33%	0.331	S	S	.	.	H	α-helix	trans	-57	-48.8	174.6	0	0	0	0	0	111.7	H94 S101	H94-A98 PolarHBondContact O-N 2.84Å; A98-S101 PolarHBondContact O-N 2.86Å; A98-S101 PolarHBondContact O-OG 3.48Å
99	Y	86.9	Confident	89.6	Confident	54 Å²	54	68.4 Å²	68.4	21%	0.212	34%	0.339	C	S	.	.	H	α-helix	trans	-63.8	-44.3	177.4	-175.7	-92.3	0	0	0	113.1	V2 L6 V9 S95 L96 A97 S101 V102	V2-Y99 HydrophobicContact CG1-CE1 4.44Å; V2-Y99 PolarHBondContact O-OH 2.97Å; L6-Y99 HydrophobicContact CD1-CD1 3.82Å; L6-Y99 HydrophobicContact CD1-CE1 3.6Å; L6-Y99 HydrophobicContact CD1-CE2 4.36Å; L6-Y99 HydrophobicContact CD1-CG 4.31Å; V9-Y99 HydrophobicContact CG2-CD2 4.25Å; V9-Y99 HydrophobicContact CG2-CE2 4.28Å; S95-Y99 PolarHBondContact O-N 2.86Å; L96-Y99 PolarHBondContact O-N 2.86Å; A97-Y99 PolarHBondContact O-N 3.46Å; Y99-S101 VanDerWaalsContact C-N 3.26Å; Y99-S101 PolarHBondContact O-N 2.83Å; Y99-V102 PolarHBondContact O-N 2.89Å
100	I	90.2	Very high	90	Very high	23 Å²	23	72.1 Å²	72.1	12%	0.118	36%	0.355	C	S	.	.	H	α-helix	trans	-66.2	-28.9	-177.9	-74.2	164.8	0	0	0	111.6	L96 A97 V102 L103 L108 L111 L334 L337	L96-I100 HydrophobicContact CB-CD1 4.29Å; L96-I100 WeakPolarHBondContact O-CB 3.38Å; L96-I100 WeakPolarHBondContact O-CD1 3.47Å; L96-I100 WeakPolarHBondContact O-CG1 3.24Å; L96-I100 PolarHBondContact O-N 2.95Å; A97-I100 PolarHBondContact O-N 2.92Å; I100-V102 PolarHBondContact O-N 3.16Å; I100-V102 VanDerWaalsContact O-N 3.11Å; I100-L103 HydrophobicContact CG1-CD1 4.45Å; I100-L103 HydrophobicContact CG2-CD1 4.15Å; I100-L103 WeakPolarHBondContact O-CB 3.14Å; I100-L103 WeakPolarHBondContact O-CG 3.28Å; I100-L103 PolarHBondContact O-N 3.3Å; I100-L108 HydrophobicContact CG2-CD1 3.77Å; I100-L111 HydrophobicContact CD1-CD2 4.24Å; I100-L111 HydrophobicContact CG1-CD2 4.42Å; I100-L111 HydrophobicContact CG2-CD2 3.79Å; I100-L334 HydrophobicContact CB-CD1 4.47Å; I100-L334 HydrophobicContact CB-CD2 4.34Å; I100-L334 HydrophobicContact CG2-CD1 4.1Å; I100-L334 HydrophobicContact CG2-CD2 3.54Å; I100-L334 HydrophobicContact CG2-CG 4.49Å; I100-L337 HydrophobicContact CD1-CD2 3.7Å
101	S	91.9	Very high	90.3	Very high	47 Å²	47	75.3 Å²	75.3	33%	0.329	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.8	175.9	79	0	0	0	0	114	A97 A98 Y99	A97-S101 PolarHBondContact O-N 3.32Å; A98-S101 PolarHBondContact O-N 2.86Å; A98-S101 PolarHBondContact O-OG 3.48Å; Y99-S101 VanDerWaalsContact C-N 3.26Å; Y99-S101 PolarHBondContact O-N 2.83Å
102	V	90.7	Very high	90.6	Very high	123 Å²	123	71.9 Å²	71.9	75%	0.745	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.6	-178.9	-166.8	0	0	0	0	112.6	Y99 I100	Y99-V102 PolarHBondContact O-N 2.89Å; I100-V102 PolarHBondContact O-N 3.16Å; I100-V102 VanDerWaalsContact O-N 3.11Å
103	L	88.4	Confident	91	Very high	52 Å²	52	71.7 Å²	71.7	27%	0.272	36%	0.355	S	S	.	.	S	Bend	trans	-68.9	158.7	177.2	-64	-178	0	0	0	112.6	I100 L108 L111	I100-L103 HydrophobicContact CG1-CD1 4.45Å; I100-L103 HydrophobicContact CG2-CD1 4.15Å; I100-L103 WeakPolarHBondContact O-CB 3.14Å; I100-L103 WeakPolarHBondContact O-CG 3.28Å; I100-L103 PolarHBondContact O-N 3.3Å; L103-L108 HydrophobicContact CB-CB 4.45Å; L103-L111 HydrophobicContact CD1-CD2 4.34Å
104	D	91.9	Very high	91.2	Very high	73 Å²	73	81.2 Å²	81.2	39%	0.39	39%	0.391	S	S	.	.			trans	-58.7	144.9	176.2	74.7	-109.9	0	0	0	112.1	E106 R107 L108	D104-E106 PolarHBondContact O-N 3.16Å; D104-E106 PolarHBondContact OD2-N 3.42Å; D104-E106 VanDerWaalsContact OD2-N 3.14Å; D104-R107 PolarHBondContact O-N 3.37Å; D104-R107 WeakPolarHBondContact OD1-CD 3.21Å; D104-R107 VanDerWaalsContact OD1-CG 3.27Å; D104-R107 WeakPolarHBondContact OD1-CG 3.29Å; D104-R107 IonicContact OD1-CZ 2.75Å; D104-R107 IonicContact OD1-NE 3.31Å; D104-R107 PolarHBondContact OD1-NE 3.15Å; D104-R107 IonicContact OD1-NH2 2.64Å; D104-R107 PolarHBondContact OD2-N 3.31Å; D104-L108 VanDerWaalsContact O-CB 3.26Å; D104-L108 WeakPolarHBondContact O-CB 2.93Å; D104-L108 PolarHBondContact O-N 3.03Å
105	R	90.1	Very high	91.4	Very high	194 Å²	194	78.1 Å²	78.1	73%	0.732	38%	0.377	S	S	*	.	H	α-helix	trans	-56.7	-25.7	-172.5	-178.8	175.4	168.2	117.3	-1.7	113.6	R109	R105-R109 WeakPolarHBondContact O-CB 3.02Å; R105-R109 PolarHBondContact O-N 3.41Å; R105-R109 VanDerWaalsContact O-N 3.17Å
106	E	91.1	Very high	91.6	Very high	105 Å²	105	77.4 Å²	77.4	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-83	-46.2	179.7	-154	-160.9	151.6	0	0	112.1	D104 R109 K110	D104-E106 PolarHBondContact O-N 3.16Å; D104-E106 PolarHBondContact OD2-N 3.42Å; D104-E106 VanDerWaalsContact OD2-N 3.14Å; E106-R109 PolarHBondContact O-N 2.83Å; E106-K110 WeakPolarHBondContact O-CG 3.44Å; E106-K110 PolarHBondContact O-N 2.87Å; E106-K110 WeakPolarHBondContact OE1-CE 3.5Å; E106-K110 IonicContact OE1-NZ 2.69Å; E106-K110 PolarHBondContact OE1-NZ 3.23Å
107	R	90.6	Very high	91.8	Very high	165 Å²	165	77.4 Å²	77.4	62%	0.623	37%	0.374	S	S	*	.	H	α-helix	trans	-62.5	-45.7	172.7	-70.8	-174.2	-139.7	-158.9	-0.6	111.3	D104 R109 K110 L111	D104-R107 PolarHBondContact O-N 3.37Å; D104-R107 WeakPolarHBondContact OD1-CD 3.21Å; D104-R107 VanDerWaalsContact OD1-CG 3.27Å; D104-R107 WeakPolarHBondContact OD1-CG 3.29Å; D104-R107 IonicContact OD1-CZ 2.75Å; D104-R107 IonicContact OD1-NE 3.31Å; D104-R107 PolarHBondContact OD1-NE 3.15Å; D104-R107 IonicContact OD1-NH2 2.64Å; D104-R107 PolarHBondContact OD2-N 3.31Å; R107-R109 PolarHBondContact O-N 3.14Å; R107-K110 PolarHBondContact O-N 2.61Å; R107-L111 WeakPolarHBondContact O-CB 3.07Å; R107-L111 PolarHBondContact O-N 3.06Å
108	L	92.1	Very high	92	Very high	8 Å²	8	78.9 Å²	78.9	4%	0.042	38%	0.38	C	S	.	.	H	α-helix	trans	-55.2	-52.5	176	178.3	61.4	0	0	0	110.3	I100 L103 D104 K110 L111 T112 P330 V331 L334	I100-L108 HydrophobicContact CG2-CD1 3.77Å; L103-L108 HydrophobicContact CB-CB 4.45Å; D104-L108 VanDerWaalsContact O-CB 3.26Å; D104-L108 WeakPolarHBondContact O-CB 2.93Å; D104-L108 PolarHBondContact O-N 3.03Å; L108-K110 PolarHBondContact O-N 3.07Å; L108-L111 PolarHBondContact O-N 3.39Å; L108-T112 HydrophobicContact CD1-CG2 3.58Å; L108-T112 HydrophobicContact CG-CG2 4.13Å; L108-T112 WeakPolarHBondContact O-CB 3.1Å; L108-T112 VanDerWaalsContact O-CG2 3.23Å; L108-T112 WeakPolarHBondContact O-CG2 3.32Å; L108-T112 PolarHBondContact O-N 3.12Å; L108-T112 PolarHBondContact O-OG1 3.02Å; L108-T112 VanDerWaalsContact O-OG1 3.05Å; L108-P330 HydrophobicContact CD2-CB 3.84Å; L108-P330 HydrophobicContact CG-CB 3.74Å; L108-V331 HydrophobicContact CD2-CG2 3.92Å; L108-L334 HydrophobicContact CD1-CD1 4.02Å; L108-L334 HydrophobicContact CD1-CD2 4.19Å; L108-L334 HydrophobicContact CD1-CG 4.33Å
109	R	92.4	Very high	92.3	Very high	139 Å²	139	75.9 Å²	75.9	53%	0.525	36%	0.355	S	S	.	.	H	α-helix	trans	-57.5	-42.9	177.3	-176.1	-177.2	70.8	103.8	-3.1	112.9	R105 E106 R107 T112 T113 P330	R105-R109 WeakPolarHBondContact O-CB 3.02Å; R105-R109 PolarHBondContact O-N 3.41Å; R105-R109 VanDerWaalsContact O-N 3.17Å; E106-R109 PolarHBondContact O-N 2.83Å; R107-R109 PolarHBondContact O-N 3.14Å; R109-T112 PolarHBondContact O-OG1 3.21Å; R109-T113 VanDerWaalsContact O-CB 3.25Å; R109-T113 WeakPolarHBondContact O-CB 3.32Å; R109-T113 PolarHBondContact O-N 3.45Å; R109-T113 VanDerWaalsContact O-N 3.12Å; R109-T113 PolarHBondContact O-OG1 3.06Å; R109-P330 HydrophobicContact CB-CG 4.33Å
110	K	92.9	Very high	92.7	Very high	121 Å²	121	74.3 Å²	74.3	53%	0.526	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-46.8	177.6	-73.7	171	-176.3	170	0	111.5	E106 R107 L108 R114	E106-K110 WeakPolarHBondContact O-CG 3.44Å; E106-K110 PolarHBondContact O-N 2.87Å; E106-K110 WeakPolarHBondContact OE1-CE 3.5Å; E106-K110 IonicContact OE1-NZ 2.69Å; E106-K110 PolarHBondContact OE1-NZ 3.23Å; R107-K110 PolarHBondContact O-N 2.61Å; L108-K110 PolarHBondContact O-N 3.07Å; K110-R114 PolarHBondContact O-N 2.84Å
111	L	93.7	Very high	92.9	Very high	67 Å²	67	78.5 Å²	78.5	35%	0.351	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-52	-179.8	-179.8	56.9	0	0	0	111.6	I100 L103 R107 L108 T113 R114 I115	I100-L111 HydrophobicContact CD1-CD2 4.24Å; I100-L111 HydrophobicContact CG1-CD2 4.42Å; I100-L111 HydrophobicContact CG2-CD2 3.79Å; L103-L111 HydrophobicContact CD1-CD2 4.34Å; R107-L111 WeakPolarHBondContact O-CB 3.07Å; R107-L111 PolarHBondContact O-N 3.06Å; L108-L111 PolarHBondContact O-N 3.39Å; L111-T113 VanDerWaalsContact C-N 3.31Å; L111-T113 PolarHBondContact O-N 3.14Å; L111-R114 PolarHBondContact O-N 2.69Å; L111-I115 HydrophobicContact CD1-CD1 3.77Å; L111-I115 HydrophobicContact CD1-CG1 4.26Å; L111-I115 HydrophobicContact CG-CD1 3.75Å; L111-I115 WeakPolarHBondContact O-CG1 3.11Å; L111-I115 PolarHBondContact O-N 2.85Å
112	T	94.1	Very high	93	Very high	0 Å²	0	79.5 Å²	79.5	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-62.1	-37.7	-179.1	60.4	0	0	0	0	112.3	L108 R109 L116 P330 K333 L334	L108-T112 HydrophobicContact CD1-CG2 3.58Å; L108-T112 HydrophobicContact CG-CG2 4.13Å; L108-T112 WeakPolarHBondContact O-CB 3.1Å; L108-T112 VanDerWaalsContact O-CG2 3.23Å; L108-T112 WeakPolarHBondContact O-CG2 3.32Å; L108-T112 PolarHBondContact O-N 3.12Å; L108-T112 PolarHBondContact O-OG1 3.02Å; L108-T112 VanDerWaalsContact O-OG1 3.05Å; R109-T112 PolarHBondContact O-OG1 3.21Å; T112-L116 WeakPolarHBondContact O-CB 3.39Å; T112-L116 PolarHBondContact O-N 3.05Å; T112-P330 VanDerWaalsContact CG2-O 3.26Å; T112-P330 WeakPolarHBondContact CG2-O 3.47Å; T112-K333 HydrophobicContact CG2-CB 4.4Å; T112-L334 HydrophobicContact CG2-CD2 3.56Å; T112-L334 HydrophobicContact CG2-CG 3.9Å
113	T	92.9	Very high	93.3	Very high	69 Å²	69	73.7 Å²	73.7	42%	0.423	33%	0.334	S	S	.	.	H	α-helix	trans	-69.3	-36.2	179.2	-53.2	0	0	0	0	111	R109 L111 S117	R109-T113 VanDerWaalsContact O-CB 3.25Å; R109-T113 WeakPolarHBondContact O-CB 3.32Å; R109-T113 PolarHBondContact O-N 3.45Å; R109-T113 VanDerWaalsContact O-N 3.12Å; R109-T113 PolarHBondContact O-OG1 3.06Å; L111-T113 VanDerWaalsContact C-N 3.31Å; L111-T113 PolarHBondContact O-N 3.14Å; T113-S117 WeakPolarHBondContact O-CB 3.3Å; T113-S117 PolarHBondContact O-N 3.01Å
114	R	94.5	Very high	93.6	Very high	200 Å²	200	71.9 Å²	71.9	76%	0.755	33%	0.326	S	S	*	.	H	α-helix	trans	-68.4	-47.7	174.6	-173.7	175	179.4	170.5	0	112	K110 L111 S117 D118	K110-R114 PolarHBondContact O-N 2.84Å; L111-R114 PolarHBondContact O-N 2.69Å; R114-S117 PolarHBondContact O-N 3.44Å; R114-D118 WeakPolarHBondContact O-CB 3.23Å; R114-D118 PolarHBondContact O-N 3.47Å
115	I	95	Very high	93.7	Very high	6 Å²	6	78.9 Å²	78.9	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-57.8	-52.2	176.6	-66.7	158.5	0	0	0	110.1	L111 S117 D118 T119 A336 L337 W340	L111-I115 HydrophobicContact CD1-CD1 3.77Å; L111-I115 HydrophobicContact CD1-CG1 4.26Å; L111-I115 HydrophobicContact CG-CD1 3.75Å; L111-I115 WeakPolarHBondContact O-CG1 3.11Å; L111-I115 PolarHBondContact O-N 2.85Å; I115-S117 PolarHBondContact O-N 2.93Å; I115-D118 PolarHBondContact O-N 3.11Å; I115-T119 WeakPolarHBondContact O-CB 3.42Å; I115-T119 PolarHBondContact O-N 3.16Å; I115-T119 PolarHBondContact O-OG1 3.23Å; I115-A336 HydrophobicContact CG2-CB 4.29Å; I115-L337 HydrophobicContact CD1-CD1 4.01Å; I115-W340 HydrophobicContact CG1-CD2 4.46Å; I115-W340 HydrophobicContact CG1-CE3 4.45Å; I115-W340 HydrophobicContact CG2-CB 3.87Å; I115-W340 HydrophobicContact CG2-CD2 4.22Å; I115-W340 HydrophobicContact CG2-CG 3.88Å
116	L	94.2	Very high	94	Very high	38 Å²	38	70.1 Å²	70.1	20%	0.199	32%	0.315	C	S	.	.	H	α-helix	trans	-60.1	-44.6	-178	-172.4	72.3	0	0	0	111.8	T112 T120 F136 K333 A336	T112-L116 WeakPolarHBondContact O-CB 3.39Å; T112-L116 PolarHBondContact O-N 3.05Å; L116-T120 WeakPolarHBondContact O-CB 3.4Å; L116-T120 PolarHBondContact O-N 2.69Å; L116-T120 PolarHBondContact O-OG1 1.8Å; L116-F136 HydrophobicContact CD1-CD2 3.61Å; L116-F136 HydrophobicContact CD1-CE2 3.34Å; L116-F136 HydrophobicContact CD1-CZ 4.24Å; L116-K333 HydrophobicContact CD2-CD 3.96Å; L116-K333 HydrophobicContact CD2-CG 4.15Å; L116-A336 HydrophobicContact CD1-CB 4.1Å
117	S	93.5	Very high	94.1	Very high	62 Å²	62	65.3 Å²	65.3	43%	0.434	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-48.4	179.3	-174.3	0	0	0	0	112.2	T113 R114 I115 T120 L121	T113-S117 WeakPolarHBondContact O-CB 3.3Å; T113-S117 PolarHBondContact O-N 3.01Å; R114-S117 PolarHBondContact O-N 3.44Å; I115-S117 PolarHBondContact O-N 2.93Å; S117-T120 PolarHBondContact O-N 2.71Å; S117-L121 WeakPolarHBondContact O-CB 3.48Å; S117-L121 WeakPolarHBondContact O-CG 3.5Å; S117-L121 PolarHBondContact O-N 2.62Å
118	D	95.4	Very high	94.3	Very high	47 Å²	47	61.5 Å²	61.5	25%	0.251	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-44.9	178.4	-170.3	50	0	0	0	111.2	R114 I115 T120 L121 W122 W340 Q344	R114-D118 WeakPolarHBondContact O-CB 3.23Å; R114-D118 PolarHBondContact O-N 3.47Å; I115-D118 PolarHBondContact O-N 3.11Å; D118-T120 VanDerWaalsContact C-N 3.34Å; D118-T120 PolarHBondContact O-N 3.37Å; D118-L121 PolarHBondContact O-N 3.12Å; D118-W122 PolarHBondContact O-N 2.84Å; D118-W122 PolarHBondContact OD1-NE1 3.24Å; D118-W122 VanDerWaalsContact OD1-NE1 3.08Å; D118-W340 PolarHBondContact OD2-NE1 2.78Å; D118-Q344 PolarHBondContact OD2-NE2 3.4Å; D118-Q344 VanDerWaalsContact OD2-NE2 3.11Å
119	T	95.6	Very high	94.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-43.3	175.3	-46.1	0	0	0	0	111.8	I115 W122 L123 F136 L339 W340 L343	I115-T119 WeakPolarHBondContact O-CB 3.42Å; I115-T119 PolarHBondContact O-N 3.16Å; I115-T119 PolarHBondContact O-OG1 3.23Å; T119-W122 PolarHBondContact O-N 3.35Å; T119-L123 HydrophobicContact CG2-CD1 4.08Å; T119-L123 HydrophobicContact CG2-CG 4.49Å; T119-L123 WeakPolarHBondContact O-CB 3.38Å; T119-L123 VanDerWaalsContact O-CG 3.3Å; T119-L123 WeakPolarHBondContact O-CG 3.48Å; T119-L123 PolarHBondContact O-N 2.81Å; T119-F136 HydrophobicContact CG2-CE1 3.61Å; T119-F136 HydrophobicContact CG2-CZ 3.68Å; T119-L339 HydrophobicContact CG2-CG 4.5Å; T119-W340 WeakPolarHBondContact OG1-CB 3.46Å; T119-L343 HydrophobicContact CG2-CD1 4.05Å
120	T	95.4	Very high	94.3	Very high	21 Å²	21	61.4 Å²	61.4	13%	0.129	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-48.6	176.9	-56.8	0	0	0	0	110.7	L116 S117 D118 W122 L123 C124 A134	L116-T120 WeakPolarHBondContact O-CB 3.4Å; L116-T120 PolarHBondContact O-N 2.69Å; L116-T120 PolarHBondContact O-OG1 1.8Å; S117-T120 PolarHBondContact O-N 2.71Å; D118-T120 VanDerWaalsContact C-N 3.34Å; D118-T120 PolarHBondContact O-N 3.37Å; T120-W122 VanDerWaalsContact C-N 3.34Å; T120-W122 PolarHBondContact O-N 2.88Å; T120-L123 PolarHBondContact O-N 3.31Å; T120-C124 VanDerWaalsContact O-CB 3.32Å; T120-C124 WeakPolarHBondContact O-CB 3.4Å; T120-C124 PolarHBondContact O-N 3.49Å; T120-C124 PolarHBondContact O-SG 2.95Å; T120-A134 HydrophobicContact CG2-CB 3.88Å
121	L	94.8	Very high	93.9	Very high	112 Å²	112	62.4 Å²	62.4	59%	0.586	30%	0.298	S	S	*	.	H	α-helix	trans	-62.5	-38.8	179.3	-71.7	168.8	0	0	0	112.5	S117 D118 R125	S117-L121 WeakPolarHBondContact O-CB 3.48Å; S117-L121 WeakPolarHBondContact O-CG 3.5Å; S117-L121 PolarHBondContact O-N 2.62Å; D118-L121 PolarHBondContact O-N 3.12Å; L121-R125 WeakPolarHBondContact O-CB 3.44Å; L121-R125 PolarHBondContact O-N 3.12Å
122	W	94.9	Very high	93.8	Very high	68 Å²	68	59.9 Å²	59.9	26%	0.258	29%	0.289	S	S	.	.	H	α-helix	trans	-65.5	-48.7	174.6	-79.9	51.8	0	0	0	111.5	D118 T119 T120 R125 I126 L343 Q344	D118-W122 PolarHBondContact O-N 2.84Å; D118-W122 PolarHBondContact OD1-NE1 3.24Å; D118-W122 VanDerWaalsContact OD1-NE1 3.08Å; T119-W122 PolarHBondContact O-N 3.35Å; T120-W122 VanDerWaalsContact C-N 3.34Å; T120-W122 PolarHBondContact O-N 2.88Å; W122-R125 PolarHBondContact O-N 3.03Å; W122-I126 HydrophobicContact CB-CD1 4.45Å; W122-I126 HydrophobicContact CE3-CD1 4.47Å; W122-I126 WeakPolarHBondContact O-CB 3.4Å; W122-I126 WeakPolarHBondContact O-CD1 3.32Å; W122-I126 WeakPolarHBondContact O-CG1 3.33Å; W122-I126 PolarHBondContact O-N 2.77Å; W122-L343 HydrophobicContact CE3-CB 4.17Å; W122-L343 HydrophobicContact CZ3-CB 4.36Å; W122-L343 WeakPolarHBondContact CZ3-O 3.19Å; W122-Q344 VanDerWaalsContact CZ2-NE2 3.33Å
123	L	95.7	Very high	93.8	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-48.2	-179.9	-68.8	173.3	0	0	0	111.7	T119 T120 R125 I126 F127 F136 V309 L311 L339 L343	T119-L123 HydrophobicContact CG2-CD1 4.08Å; T119-L123 HydrophobicContact CG2-CG 4.49Å; T119-L123 WeakPolarHBondContact O-CB 3.38Å; T119-L123 VanDerWaalsContact O-CG 3.3Å; T119-L123 WeakPolarHBondContact O-CG 3.48Å; T119-L123 PolarHBondContact O-N 2.81Å; T120-L123 PolarHBondContact O-N 3.31Å; L123-R125 VanDerWaalsContact C-N 3.29Å; L123-R125 PolarHBondContact O-N 3.12Å; L123-I126 PolarHBondContact O-N 3.33Å; L123-F127 HydrophobicContact CD2-CD2 4.18Å; L123-F127 HydrophobicContact CD2-CE2 3.78Å; L123-F127 WeakPolarHBondContact O-CD2 3.37Å; L123-F127 PolarHBondContact O-N 3.26Å; L123-F136 HydrophobicContact CD1-CE1 4.13Å; L123-F136 HydrophobicContact CD1-CZ 4.19Å; L123-V309 HydrophobicContact CD1-CB 4.21Å; L123-V309 HydrophobicContact CD1-CG1 3.82Å; L123-V309 HydrophobicContact CD1-CG2 4.01Å; L123-L311 HydrophobicContact CB-CD2 4.29Å; L123-L339 HydrophobicContact CD1-CD2 4.12Å; L123-L343 HydrophobicContact CD2-CD1 4.16Å; L123-L343 HydrophobicContact CG-CD1 4.38Å
124	C	95.6	Very high	93.8	Very high	15 Å²	15	58.2 Å²	58.2	10%	0.101	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-41.9	175.3	-70.8	0	0	0	0	111.9	T120 R128 Y129	T120-C124 VanDerWaalsContact O-CB 3.32Å; T120-C124 WeakPolarHBondContact O-CB 3.4Å; T120-C124 PolarHBondContact O-N 3.49Å; T120-C124 PolarHBondContact O-SG 2.95Å; C124-R128 PolarHBondContact O-N 2.88Å; C124-R128 VanDerWaalsContact O-N 3.17Å; C124-Y129 VanDerWaalsContact CB-O 3.27Å; C124-Y129 WeakPolarHBondContact CB-O 3.3Å; C124-Y129 PolarHBondContact O-N 2.89Å
125	R	94.3	Very high	93.9	Very high	219 Å²	219	50.1 Å²	50.1	83%	0.826	25%	0.25	S	C	*	.	H	α-helix	trans	-70.8	-39.2	177.6	-176.8	175.8	178.3	175	0.5	113.6	L121 W122 L123	L121-R125 WeakPolarHBondContact O-CB 3.44Å; L121-R125 PolarHBondContact O-N 3.12Å; W122-R125 PolarHBondContact O-N 3.03Å; L123-R125 VanDerWaalsContact C-N 3.29Å; L123-R125 PolarHBondContact O-N 3.12Å
126	I	94.4	Very high	93.9	Very high	11 Å²	11	50.3 Å²	50.3	6%	0.056	25%	0.25	C	S	.	.	H	α-helix	trans	-71.1	-45.9	-178.6	-70.9	165.5	0	0	0	110.3	W122 L123 R128 A276 I351	W122-I126 HydrophobicContact CB-CD1 4.45Å; W122-I126 HydrophobicContact CE3-CD1 4.47Å; W122-I126 WeakPolarHBondContact O-CB 3.4Å; W122-I126 WeakPolarHBondContact O-CD1 3.32Å; W122-I126 WeakPolarHBondContact O-CG1 3.33Å; W122-I126 PolarHBondContact O-N 2.77Å; L123-I126 PolarHBondContact O-N 3.33Å; I126-R128 VanDerWaalsContact C-N 3.32Å; I126-R128 PolarHBondContact O-N 2.97Å; I126-A276 HydrophobicContact CG2-CB 3.61Å; I126-A276 WeakPolarHBondContact O-CA 3.41Å; I126-I351 HydrophobicContact CD1-CD1 3.9Å; I126-I351 HydrophobicContact CG2-CG2 4.37Å
127	F	94.8	Very high	93.9	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.018	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	18.9	-176.8	-59.4	-74.8	0	0	0	113.4	L123 Y129 L275 A276 L295 W300	L123-F127 HydrophobicContact CD2-CD2 4.18Å; L123-F127 HydrophobicContact CD2-CE2 3.78Å; L123-F127 WeakPolarHBondContact O-CD2 3.37Å; L123-F127 PolarHBondContact O-N 3.26Å; F127-Y129 VanDerWaalsContact C-N 3.32Å; F127-Y129 PolarHBondContact O-N 2.83Å; F127-L275 HydrophobicContact CB-CB 4.41Å; F127-L275 HydrophobicContact CD1-CB 4.22Å; F127-A276 HydrophobicContact CD1-CB 4.42Å; F127-A276 HydrophobicContact CE1-CB 4.03Å; F127-L295 HydrophobicContact CB-CD1 4.31Å; F127-L295 HydrophobicContact CD1-CD2 4.46Å; F127-L295 HydrophobicContact CD2-CD1 3.53Å; F127-L295 HydrophobicContact CE2-CD1 4.04Å; F127-L295 HydrophobicContact CG-CD1 3.93Å; F127-L295 HydrophobicContact CG-CD2 4.27Å; F127-W300 HydrophobicContact CD1-CZ3 4.42Å; F127-W300 HydrophobicContact CE1-CE3 4.21Å; F127-W300 AromaticContact CE1-CZ3 3.74Å; F127-W300 HydrophobicContact CE1-CZ3 3.74Å; F127-W300 HydrophobicContact CZ-CE3 4.16Å; F127-W300 AromaticContact CZ-CZ3 3.86Å; F127-W300 HydrophobicContact CZ-CZ3 3.86Å
128	R	94.8	Very high	93.6	Very high	84 Å²	84	52.2 Å²	52.2	32%	0.317	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	39.8	171.5	-50.8	175.6	-178.4	-142	-9	113.9	C124 I126 L275 L277 A278 V280 M285 T288	C124-R128 PolarHBondContact O-N 2.88Å; C124-R128 VanDerWaalsContact O-N 3.17Å; I126-R128 VanDerWaalsContact C-N 3.32Å; I126-R128 PolarHBondContact O-N 2.97Å; R128-L275 WeakPolarHBondContact CD-O 3.4Å; R128-L275 PolarHBondContact NE-O 2.95Å; R128-L277 PolarHBondContact NH2-O 3.42Å; R128-A278 PolarHBondContact NH2-O 3.29Å; R128-V280 VanDerWaalsContact CZ-CG2 3.48Å; R128-M285 PolarHBondContact NH1-SD 2.99Å; R128-T288 HydrophobicContact CB-CG2 3.72Å; R128-T288 WeakPolarHBondContact O-CB 3.3Å; R128-T288 WeakPolarHBondContact O-CG2 3.26Å
129	Y	94.9	Very high	93.3	Very high	6 Å²	6	52.8 Å²	52.8	2%	0.024	25%	0.254	C	S	.	.			trans	-111.4	95.3	-174	-164.1	-105.9	0	0	0	111.6	C124 F127 S290 D291 M293 L311 R313	C124-Y129 VanDerWaalsContact CB-O 3.27Å; C124-Y129 WeakPolarHBondContact CB-O 3.3Å; C124-Y129 PolarHBondContact O-N 2.89Å; F127-Y129 VanDerWaalsContact C-N 3.32Å; F127-Y129 PolarHBondContact O-N 2.83Å; Y129-S290 VanDerWaalsContact CE2-O 3.25Å; Y129-S290 WeakPolarHBondContact CE2-O 3.46Å; Y129-S290 PolarHBondContact OH-O 3.08Å; Y129-D291 VanDerWaalsContact OH-C 3.24Å; Y129-D291 PolarHBondContact OH-O 3.09Å; Y129-D291 VanDerWaalsContact OH-O 3.14Å; Y129-M293 HydrophobicContact CD2-CE 3.59Å; Y129-M293 HydrophobicContact CD2-CG 4.5Å; Y129-M293 HydrophobicContact CD2-SD 4.2Å; Y129-M293 HydrophobicContact CE2-CE 4.05Å; Y129-M293 HydrophobicContact CG-CE 4.43Å; Y129-L311 HydrophobicContact CD1-CB 3.77Å; Y129-L311 HydrophobicContact CD1-CD1 3.95Å; Y129-L311 HydrophobicContact CD1-CG 4.47Å; Y129-L311 HydrophobicContact CE1-CB 3.97Å; Y129-L311 HydrophobicContact CG-CB 4.4Å; Y129-L311 HydrophobicContact CG-CD1 4.04Å; Y129-R313 PolarHBondContact OH-N 2.9Å
130	D	88.9	Confident	92.9	Very high	140 Å²	140	53.7 Å²	53.7	75%	0.749	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	137.8	-173.6	-71.7	-40.8	0	0	0	113.1	G132	D130-G132 PolarHBondContact O-N 2.89Å; D130-G132 VanDerWaalsContact O-N 3.16Å
131	N	84.3	Confident	92.7	Very high	142 Å²	142	57 Å²	57	76%	0.759	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	28.7	177.7	-56.6	-51.9	0	0	0	114.9	H314	N131-H314 WeakPolarHBondContact O-CB 3.37Å; N131-H314 PolarHBondContact O-N 3.06Å
132	G	91.1	Very high	92.6	Very high	14 Å²	14	53.3 Å²	53.3	14%	0.144	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	153.1	175.3	0	0	0	0	0	114.8	D130 Y312	D130-G132 PolarHBondContact O-N 2.89Å; D130-G132 VanDerWaalsContact O-N 3.16Å; G132-Y312 CarbonylContact C-O 3.52Å; G132-Y312 WeakPolarHBondContact CA-O 3.47Å
133	S	94	Very high	92.6	Very high	23 Å²	23	50.1 Å²	50.1	16%	0.161	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	154	164.2	-62.8	0	0	0	0	109.5	L311 Y312 H314	S133-L311 CarbonylContact O-C 3.58Å; S133-L311 WeakPolarHBondContact O-CA 3.39Å; S133-Y312 VanDerWaalsContact CB-CZ 3.5Å; S133-Y312 PolarHBondContact N-O 3Å; S133-Y312 VanDerWaalsContact O-CD1 3.25Å; S133-Y312 WeakPolarHBondContact O-CD1 3.04Å; S133-Y312 PolarHBondContact O-N 2.83Å; S133-H314 PolarHBondContact OG-ND1 3.12Å
134	A	94.8	Very high	92.6	Very high	10 Å²	10	50.1 Å²	50.1	8%	0.083	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.1	-175.4	0	0	0	0	0	112.6	T120 F136 V309 L311	T120-A134 HydrophobicContact CG2-CB 3.88Å; A134-F136 HydrophobicContact CB-CD2 4.39Å; A134-F136 HydrophobicContact CB-CE2 3.52Å; A134-F136 HydrophobicContact CB-CZ 3.87Å; A134-V309 HydrophobicContact CB-CG1 3.83Å; A134-L311 HydrophobicContact CB-CD2 3.66Å
135	Y	95.4	Very high	92.7	Very high	31 Å²	31	49.4 Å²	49.4	12%	0.122	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.5	169.1	-178.4	-112.2	0	0	0	110	H137 D142 K146 V309 T310 G324 L325	Y135-H137 HydrophobicContact CD1-CB 4.3Å; Y135-H137 AromaticContact CD1-CD2 3.72Å; Y135-H137 HydrophobicContact CE1-CB 3.94Å; Y135-H137 PolarHBondContact O-CD2 2.89Å; Y135-D142 PolarHBondContact OH-OD2 3.3Å; Y135-K146 HydrophobicContact CD1-CG 4.11Å; Y135-K146 HydrophobicContact CE1-CG 3.61Å; Y135-K146 WeakPolarHBondContact OH-CE 3.49Å; Y135-V309 CarbonylContact O-C 3.45Å; Y135-V309 WeakPolarHBondContact O-CA 3.42Å; Y135-T310 PolarHBondContact N-O 3.05Å; Y135-T310 PolarHBondContact O-N 2.81Å; Y135-G324 VanDerWaalsContact CE2-O 3.23Å; Y135-G324 WeakPolarHBondContact CE2-O 3.34Å; Y135-L325 HydrophobicContact CD1-CD2 4.29Å; Y135-L325 VanDerWaalsContact CD2-O 3.3Å; Y135-L325 WeakPolarHBondContact CD2-O 3.39Å; Y135-L325 HydrophobicContact CG-CD2 3.99Å
136	F	95	Very high	92.7	Very high	10 Å²	10	40.1 Å²	40.1	4%	0.044	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.3	-171.1	-62.9	-104.9	0	0	0	109.5	L116 T119 L123 A134 V309 R335 A336 L339	L116-F136 HydrophobicContact CD1-CD2 3.61Å; L116-F136 HydrophobicContact CD1-CE2 3.34Å; L116-F136 HydrophobicContact CD1-CZ 4.24Å; T119-F136 HydrophobicContact CG2-CE1 3.61Å; T119-F136 HydrophobicContact CG2-CZ 3.68Å; L123-F136 HydrophobicContact CD1-CE1 4.13Å; L123-F136 HydrophobicContact CD1-CZ 4.19Å; A134-F136 HydrophobicContact CB-CD2 4.39Å; A134-F136 HydrophobicContact CB-CE2 3.52Å; A134-F136 HydrophobicContact CB-CZ 3.87Å; F136-V309 HydrophobicContact CD1-CG1 4.31Å; F136-V309 HydrophobicContact CD1-CG2 3.54Å; F136-V309 HydrophobicContact CE1-CG1 4.13Å; F136-V309 HydrophobicContact CE1-CG2 3.67Å; F136-V309 HydrophobicContact CE2-CG1 4.46Å; F136-V309 HydrophobicContact CG-CG2 4.32Å; F136-V309 HydrophobicContact CZ-CG1 4.2Å; F136-R335 HydrophobicContact CB-CB 4.09Å; F136-R335 WeakPolarHBondContact O-CD 3.45Å; F136-A336 HydrophobicContact CD1-CB 3.78Å; F136-A336 HydrophobicContact CD2-CB 4.23Å; F136-A336 HydrophobicContact CE1-CB 3.71Å; F136-A336 HydrophobicContact CE2-CB 4.19Å; F136-A336 HydrophobicContact CG-CB 4.06Å; F136-A336 HydrophobicContact CZ-CB 3.94Å; F136-L339 HydrophobicContact CD1-CD2 4.49Å; F136-L339 HydrophobicContact CE1-CD2 4.12Å
137	H	93.4	Very high	92.8	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.5	-168.7	49.1	103.8	0	0	0	112.9	Y135 D139 D140 D142 T294 T307 A308	Y135-H137 HydrophobicContact CD1-CB 4.3Å; Y135-H137 AromaticContact CD1-CD2 3.72Å; Y135-H137 HydrophobicContact CE1-CB 3.94Å; Y135-H137 PolarHBondContact O-CD2 2.89Å; H137-D139 CovalentContact CE1-O 1.8Å; H137-D139 PolarHBondContact CE1-O 3.03Å; H137-D139 PolarHBondContact ND1-O 2.8Å; H137-D140 WeakPolarHBondContact CE1-CA 3.15Å; H137-D140 PolarHBondContact CE1-N 3.04Å; H137-D140 VanDerWaalsContact NE2-CA 3.26Å; H137-D140 WeakPolarHBondContact NE2-CA 3.27Å; H137-D140 PolarHBondContact NE2-O 3.14Å; H137-D142 HydrophobicContact CB-CB 4.3Å; H137-T294 VanDerWaalsContact NE2-CG2 3.25Å; H137-T294 WeakPolarHBondContact NE2-CG2 3.21Å; H137-T307 CarbonylContact O-C 3.58Å; H137-T307 VanDerWaalsContact O-CA 3.3Å; H137-T307 WeakPolarHBondContact O-CA 3.4Å; H137-T307 WeakPolarHBondContact O-CB 3.29Å; H137-A308 PolarHBondContact N-O 3.22Å; H137-A308 PolarHBondContact O-N 3.22Å
138	E	88.2	Confident	92.8	Very high	136 Å²	136	39.4 Å²	39.4	64%	0.636	20%	0.196	S	C	*	.	S	Bend	trans	-86.8	-46.7	-177.9	-69.3	151.3	-136.6	0	0	111.1	T307 R335	E138-T307 HydrophobicContact CG-CG2 4.26Å; E138-R335 IonicContact OE1-CZ 3.81Å; E138-R335 IonicContact OE1-NE 2.62Å; E138-R335 PolarHBondContact OE1-NE 2.79Å; E138-R335 IonicContact OE1-NH2 2.62Å; E138-R335 PolarHBondContact OE1-NH2 2.87Å
139	D	89.4	Confident	92.8	Very high	59 Å²	59	39 Å²	39	32%	0.316	19%	0.194	S	C	.	.	S	Bend	trans	-81.5	121	166.6	-174.3	-38.3	0	0	0	109.1	H137 R141 D142	H137-D139 CovalentContact CE1-O 1.8Å; H137-D139 PolarHBondContact CE1-O 3.03Å; H137-D139 PolarHBondContact ND1-O 2.8Å; D139-R141 PolarHBondContact O-N 3.43Å; D139-R141 VanDerWaalsContact OD1-CB 3.28Å; D139-R141 WeakPolarHBondContact OD1-CB 3.42Å; D139-R141 WeakPolarHBondContact OD1-CG 3.34Å; D139-R141 IonicContact OD1-CZ 2.61Å; D139-R141 PolarHBondContact OD1-N 2.85Å; D139-R141 IonicContact OD1-NE 2.66Å; D139-R141 PolarHBondContact OD1-NE 2.96Å; D139-R141 IonicContact OD1-NH2 3.03Å; D139-R141 IonicContact OD2-CZ 2.71Å; D139-R141 IonicContact OD2-NE 3.22Å; D139-R141 PolarHBondContact OD2-NE 3.12Å; D139-R141 IonicContact OD2-NH2 3.06Å; D139-R141 PolarHBondContact OD2-NH2 2.95Å; D139-D142 HydrophobicContact CB-CB 4.48Å; D139-D142 PolarHBondContact O-N 2.83Å; D139-D142 VanDerWaalsContact O-N 3.12Å
140	D	86.1	Confident	92.8	Very high	20 Å²	20	38.8 Å²	38.8	11%	0.107	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-2.1	-175.5	67.7	15	0	0	0	114.6	H137 R181 T296 R299 A308	H137-D140 WeakPolarHBondContact CE1-CA 3.15Å; H137-D140 PolarHBondContact CE1-N 3.04Å; H137-D140 VanDerWaalsContact NE2-CA 3.26Å; H137-D140 WeakPolarHBondContact NE2-CA 3.27Å; H137-D140 PolarHBondContact NE2-O 3.14Å; D140-R181 IonicContact OD1-CZ 2.69Å; D140-R181 IonicContact OD1-NH1 3.64Å; D140-R181 PolarHBondContact OD1-NH1 3.28Å; D140-R181 IonicContact OD2-NH1 3.46Å; D140-R181 PolarHBondContact OD2-NH1 3.49Å; D140-T296 HydrophobicContact CB-CG2 4.28Å; D140-R299 IonicContact OD2-CZ 3.45Å; D140-R299 IonicContact OD2-NH1 3.86Å; D140-R299 PolarHBondContact OD2-NH1 2.77Å; D140-R299 IonicContact OD2-NH2 2.8Å; D140-R299 PolarHBondContact OD2-NH2 3.11Å; D140-A308 HydrophobicContact CB-CB 3.83Å
141	R	91.9	Very high	93.1	Very high	89 Å²	89	32.2 Å²	32.2	34%	0.336	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-23.7	173.6	-56.3	168.1	-72.2	-156.1	0.2	113.4	D139 G143 L144 V145 L184	D139-R141 PolarHBondContact O-N 3.43Å; D139-R141 VanDerWaalsContact OD1-CB 3.28Å; D139-R141 WeakPolarHBondContact OD1-CB 3.42Å; D139-R141 WeakPolarHBondContact OD1-CG 3.34Å; D139-R141 IonicContact OD1-CZ 2.61Å; D139-R141 PolarHBondContact OD1-N 2.85Å; D139-R141 IonicContact OD1-NE 2.66Å; D139-R141 PolarHBondContact OD1-NE 2.96Å; D139-R141 IonicContact OD1-NH2 3.03Å; D139-R141 IonicContact OD2-CZ 2.71Å; D139-R141 IonicContact OD2-NE 3.22Å; D139-R141 PolarHBondContact OD2-NE 3.12Å; D139-R141 IonicContact OD2-NH2 3.06Å; D139-R141 PolarHBondContact OD2-NH2 2.95Å; R141-G143 VanDerWaalsContact C-N 3.32Å; R141-G143 PolarHBondContact O-N 2.91Å; R141-L144 PolarHBondContact O-N 2.77Å; R141-L144 VanDerWaalsContact O-N 3.12Å; R141-V145 PolarHBondContact O-N 2.8Å; R141-V145 VanDerWaalsContact O-N 3.08Å; R141-L184 HydrophobicContact CB-CD1 4.18Å; R141-L184 HydrophobicContact CG-CD1 3.75Å
142	D	93.4	Very high	93.6	Very high	36 Å²	36	25.4 Å²	25.4	19%	0.193	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-32.5	-169.9	-171.5	51.6	0	0	0	113	Y135 H137 D139 L144 V145 K146	Y135-D142 PolarHBondContact OH-OD2 3.3Å; H137-D142 HydrophobicContact CB-CB 4.3Å; D139-D142 HydrophobicContact CB-CB 4.48Å; D139-D142 PolarHBondContact O-N 2.83Å; D139-D142 VanDerWaalsContact O-N 3.12Å; D142-L144 VanDerWaalsContact C-N 3.35Å; D142-L144 PolarHBondContact O-N 2.68Å; D142-V145 WeakPolarHBondContact O-CB 3.35Å; D142-V145 PolarHBondContact O-N 3.43Å; D142-K146 WeakPolarHBondContact O-CG 3.25Å; D142-K146 PolarHBondContact O-N 3.45Å; D142-K146 IonicContact OD1-NZ 2.85Å; D142-K146 PolarHBondContact OD1-NZ 3.21Å; D142-K146 WeakPolarHBondContact OD2-CE 3.26Å; D142-K146 IonicContact OD2-NZ 2.64Å; D142-K146 PolarHBondContact OD2-NZ 3.11Å
143	G	94.3	Very high	93.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.6	-39.1	173	0	0	0	0	0	113.2	R141 K146 V147 T310	R141-G143 VanDerWaalsContact C-N 3.32Å; R141-G143 PolarHBondContact O-N 2.91Å; G143-K146 PolarHBondContact O-N 3.42Å; G143-V147 WeakPolarHBondContact O-CG2 3.26Å; G143-V147 PolarHBondContact O-N 3.33Å; G143-T310 WeakPolarHBondContact CA-OG1 3.18Å
144	L	95.6	Very high	93.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.9	-38.9	172.7	-178.4	52.4	0	0	0	111.7	R141 D142 K146 V147 C148 L184 L188 L235 I237 H266	R141-L144 PolarHBondContact O-N 2.77Å; R141-L144 VanDerWaalsContact O-N 3.12Å; D142-L144 VanDerWaalsContact C-N 3.35Å; D142-L144 PolarHBondContact O-N 2.68Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 2.89Å; L144-V147 HydrophobicContact CD1-CB 4.42Å; L144-V147 HydrophobicContact CD1-CG1 4.42Å; L144-V147 PolarHBondContact O-N 2.84Å; L144-C148 PolarHBondContact O-N 3.39Å; L144-C148 PolarHBondContact O-SG 3.42Å; L144-L184 HydrophobicContact CD2-CD1 4.47Å; L144-L184 HydrophobicContact CD2-CD2 4.08Å; L144-L188 HydrophobicContact CB-CD2 4.33Å; L144-L188 HydrophobicContact CD2-CD1 3.92Å; L144-L188 HydrophobicContact CD2-CD2 4.29Å; L144-L188 HydrophobicContact CG-CD1 4.13Å; L144-L188 HydrophobicContact CG-CD2 3.91Å; L144-L235 HydrophobicContact CD1-CD2 4.41Å; L144-I237 HydrophobicContact CD2-CD1 3.89Å; L144-I237 HydrophobicContact CD2-CG1 4.19Å; L144-I237 HydrophobicContact CD2-CG2 4.46Å; L144-H266 HydrophobicContact CD1-CB 3.95Å
145	V	96.8	Very high	93.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-54.9	-45.6	170.4	173.8	0	0	0	0	110.8	R141 D142 C148 R149 L188 Q191 L192	R141-V145 PolarHBondContact O-N 2.8Å; R141-V145 VanDerWaalsContact O-N 3.08Å; D142-V145 WeakPolarHBondContact O-CB 3.35Å; D142-V145 PolarHBondContact O-N 3.43Å; V145-C148 PolarHBondContact O-N 2.7Å; V145-R149 WeakPolarHBondContact O-CG 3.25Å; V145-R149 PolarHBondContact O-N 2.89Å; V145-R149 VanDerWaalsContact O-N 3.09Å; V145-L188 HydrophobicContact CB-CD2 4.49Å; V145-L188 HydrophobicContact CG2-CD2 3.66Å; V145-Q191 HydrophobicContact CB-CB 4.45Å; V145-Q191 HydrophobicContact CG1-CB 3.74Å; V145-Q191 HydrophobicContact CG2-CB 3.75Å; V145-Q191 HydrophobicContact CG2-CG 4.13Å; V145-L192 HydrophobicContact CG1-CD2 4.19Å
146	K	95.6	Very high	93.2	Very high	25 Å²	25	30.7 Å²	30.7	11%	0.109	14%	0.143	C	C	.	.	H	α-helix	trans	-67.8	-38.8	177.9	-49.1	-37.2	-171.2	-145.4	0	112.2	Y135 D142 G143 L144 R149 L150 L325	Y135-K146 HydrophobicContact CD1-CG 4.11Å; Y135-K146 HydrophobicContact CE1-CG 3.61Å; Y135-K146 WeakPolarHBondContact OH-CE 3.49Å; D142-K146 WeakPolarHBondContact O-CG 3.25Å; D142-K146 PolarHBondContact O-N 3.45Å; D142-K146 IonicContact OD1-NZ 2.85Å; D142-K146 PolarHBondContact OD1-NZ 3.21Å; D142-K146 WeakPolarHBondContact OD2-CE 3.26Å; D142-K146 IonicContact OD2-NZ 2.64Å; D142-K146 PolarHBondContact OD2-NZ 3.11Å; G143-K146 PolarHBondContact O-N 3.42Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 2.89Å; K146-R149 WeakPolarHBondContact O-CB 3.45Å; K146-R149 PolarHBondContact O-N 3.24Å; K146-R149 VanDerWaalsContact O-N 3.16Å; K146-L150 PolarHBondContact O-N 3.25Å; K146-L325 HydrophobicContact CB-CD2 3.44Å; K146-L325 VanDerWaalsContact CB-CD2 3.44Å; K146-L325 HydrophobicContact CB-CG 3.64Å; K146-L325 HydrophobicContact CG-CD2 4.24Å
147	V	96.1	Very high	92.8	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-42.6	174.4	165.8	0	0	0	0	111.4	G143 L144 R149 L150 A151 L235 W264 S292 T310 L325	G143-V147 WeakPolarHBondContact O-CG2 3.26Å; G143-V147 PolarHBondContact O-N 3.33Å; L144-V147 HydrophobicContact CD1-CB 4.42Å; L144-V147 HydrophobicContact CD1-CG1 4.42Å; L144-V147 PolarHBondContact O-N 2.84Å; V147-R149 VanDerWaalsContact C-N 3.3Å; V147-R149 PolarHBondContact O-N 3.26Å; V147-L150 WeakPolarHBondContact O-CB 3.41Å; V147-L150 PolarHBondContact O-N 2.73Å; V147-L150 VanDerWaalsContact O-N 3.14Å; V147-A151 PolarHBondContact O-N 2.79Å; V147-L235 HydrophobicContact CG1-CD1 3.87Å; V147-W264 HydrophobicContact CG1-CZ2 4.27Å; V147-W264 VanDerWaalsContact CG1-NE1 3.27Å; V147-S292 WeakPolarHBondContact CG1-OG 3.23Å; V147-T310 HydrophobicContact CG2-CG2 3.7Å; V147-L325 HydrophobicContact CG2-CD2 4.34Å
148	C	95.6	Very high	92.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-39.6	173.1	-66.8	0	0	0	0	111.7	L144 V145 A151 I152 L192	L144-C148 PolarHBondContact O-N 3.39Å; L144-C148 PolarHBondContact O-SG 3.42Å; V145-C148 PolarHBondContact O-N 2.7Å; C148-A151 PolarHBondContact O-N 3.27Å; C148-I152 VanDerWaalsContact O-CG1 3.3Å; C148-I152 WeakPolarHBondContact O-CG1 3.41Å; C148-I152 PolarHBondContact O-N 3.04Å; C148-L192 HydrophobicContact CB-CD1 3.52Å; C148-L192 HydrophobicContact CB-CD2 3.98Å; C148-L192 HydrophobicContact CB-CG 4.37Å
149	R	94.6	Very high	92.7	Very high	76 Å²	76	40.5 Å²	40.5	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-65.1	-37.1	173.4	-66	175.1	-173.1	179.9	2.4	112.5	V145 K146 V147 I152 N153 Q191 L192 A323	V145-R149 WeakPolarHBondContact O-CG 3.25Å; V145-R149 PolarHBondContact O-N 2.89Å; V145-R149 VanDerWaalsContact O-N 3.09Å; K146-R149 WeakPolarHBondContact O-CB 3.45Å; K146-R149 PolarHBondContact O-N 3.24Å; K146-R149 VanDerWaalsContact O-N 3.16Å; V147-R149 VanDerWaalsContact C-N 3.3Å; V147-R149 PolarHBondContact O-N 3.26Å; R149-I152 PolarHBondContact O-N 3.2Å; R149-N153 WeakPolarHBondContact O-CB 3.46Å; R149-N153 PolarHBondContact O-N 3.44Å; R149-N153 PolarHBondContact O-ND2 3.11Å; R149-Q191 PolarHBondContact NH2-O 2.79Å; R149-L192 HydrophobicContact CG-CD2 3.43Å; R149-L192 VanDerWaalsContact CG-CD2 3.43Å; R149-A323 HydrophobicContact CB-CB 4.16Å
150	L	94.6	Very high	92.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-48.4	173.4	180	65.6	0	0	0	110.9	K146 V147 I152 N153 A154 W264 Y312 E315 L319 A323 L325	K146-L150 PolarHBondContact O-N 3.25Å; V147-L150 WeakPolarHBondContact O-CB 3.41Å; V147-L150 PolarHBondContact O-N 2.73Å; V147-L150 VanDerWaalsContact O-N 3.14Å; L150-I152 VanDerWaalsContact C-N 3.32Å; L150-I152 PolarHBondContact O-N 2.67Å; L150-N153 PolarHBondContact O-N 3.23Å; L150-A154 WeakPolarHBondContact O-CB 3.5Å; L150-A154 PolarHBondContact O-N 3.35Å; L150-W264 HydrophobicContact CD2-CH2 3.57Å; L150-W264 HydrophobicContact CD2-CZ2 4.1Å; L150-W264 HydrophobicContact CD2-CZ3 4.25Å; L150-W264 HydrophobicContact CG-CH2 4.33Å; L150-Y312 HydrophobicContact CD2-CD2 4.17Å; L150-E315 HydrophobicContact CD1-CB 4.13Å; L150-E315 HydrophobicContact CD1-CG 4.41Å; L150-E315 HydrophobicContact CD2-CB 4.16Å; L150-E315 HydrophobicContact CD2-CG 4Å; L150-E315 HydrophobicContact CG-CG 4.43Å; L150-L319 HydrophobicContact CD1-CB 3.74Å; L150-A323 HydrophobicContact CB-CB 3.82Å; L150-A323 HydrophobicContact CD1-CB 4.4Å; L150-L325 HydrophobicContact CB-CD1 3.85Å; L150-L325 HydrophobicContact CD2-CD1 3.57Å; L150-L325 HydrophobicContact CG-CD1 4.2Å
151	A	94.7	Very high	92.7	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-38.7	176.8	0	0	0	0	0	112.3	V147 C148 R155 L234 W264	V147-A151 PolarHBondContact O-N 2.79Å; C148-A151 PolarHBondContact O-N 3.27Å; A151-R155 VanDerWaalsContact O-CB 3.29Å; A151-R155 WeakPolarHBondContact O-CB 3.28Å; A151-R155 WeakPolarHBondContact O-CG 3.4Å; A151-R155 PolarHBondContact O-N 3.04Å; A151-L234 HydrophobicContact CB-CD1 4.03Å; A151-L234 HydrophobicContact CB-CG 4.21Å; A151-W264 HydrophobicContact CB-CB 4.33Å; A151-W264 HydrophobicContact CB-CE3 4.5Å; A151-W264 HydrophobicContact CB-CG 4.45Å
152	I	94	Very high	92.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-53.1	172.8	-66.6	168	0	0	0	110.5	C148 R149 L150 A154 R155 Y156 Y159 L167 L234	C148-I152 VanDerWaalsContact O-CG1 3.3Å; C148-I152 WeakPolarHBondContact O-CG1 3.41Å; C148-I152 PolarHBondContact O-N 3.04Å; R149-I152 PolarHBondContact O-N 3.2Å; L150-I152 VanDerWaalsContact C-N 3.32Å; L150-I152 PolarHBondContact O-N 2.67Å; I152-A154 PolarHBondContact O-N 3.22Å; I152-R155 PolarHBondContact O-N 3.46Å; I152-Y156 HydrophobicContact CB-CD2 4.49Å; I152-Y156 HydrophobicContact CG2-CD2 3.91Å; I152-Y156 PolarHBondContact O-N 3.33Å; I152-Y159 HydrophobicContact CG2-CD1 3.53Å; I152-Y159 HydrophobicContact CG2-CD2 3.77Å; I152-Y159 HydrophobicContact CG2-CE1 3.66Å; I152-Y159 HydrophobicContact CG2-CE2 3.9Å; I152-Y159 HydrophobicContact CG2-CG 3.59Å; I152-L167 HydrophobicContact CG2-CD2 3.99Å; I152-L234 HydrophobicContact CD1-CD2 4.46Å; I152-L234 HydrophobicContact CG1-CD2 3.67Å
153	N	92.3	Very high	92.4	Very high	14 Å²	14	47.3 Å²	47.3	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-56.4	-35.6	179.7	-72	-21.2	0	0	0	112.6	R149 L150 Y159 L319 A323	R149-N153 WeakPolarHBondContact O-CB 3.46Å; R149-N153 PolarHBondContact O-N 3.44Å; R149-N153 PolarHBondContact O-ND2 3.11Å; L150-N153 PolarHBondContact O-N 3.23Å; N153-Y159 WeakPolarHBondContact OD1-CD1 3.25Å; N153-L319 HydrophobicContact CB-CD2 4.08Å; N153-A323 PolarHBondContact ND2-N 2.7Å
154	A	91.8	Very high	92.1	Very high	47 Å²	47	53.4 Å²	53.4	39%	0.388	26%	0.263	S	S	.	.	H	α-helix	trans	-80.9	-14.5	179.5	0	0	0	0	0	114.4	L150 I152 L319	L150-A154 WeakPolarHBondContact O-CB 3.5Å; L150-A154 PolarHBondContact O-N 3.35Å; I152-A154 PolarHBondContact O-N 3.22Å; A154-L319 HydrophobicContact CB-CD1 4.24Å
155	R	92.3	Very high	91.9	Very high	113 Å²	113	56.1 Å²	56.1	43%	0.426	29%	0.285	S	S	.	.	H	α-helix	trans	-116.4	-12.2	-175	-62.3	-75.8	-83.3	-171.9	-8.5	114	A151 I152 L232 L234 G262	A151-R155 VanDerWaalsContact O-CB 3.29Å; A151-R155 WeakPolarHBondContact O-CB 3.28Å; A151-R155 WeakPolarHBondContact O-CG 3.4Å; A151-R155 PolarHBondContact O-N 3.04Å; I152-R155 PolarHBondContact O-N 3.46Å; R155-L232 HydrophobicContact CB-CD2 4.08Å; R155-L234 HydrophobicContact CB-CD1 4.13Å; R155-L234 HydrophobicContact CG-CD1 4.03Å; R155-G262 PolarHBondContact NH2-O 3Å
156	Y	92.3	Very high	91.6	Very high	14 Å²	14	57 Å²	57	6%	0.055	29%	0.291	C	S	.	.			trans	-130.5	90	177.9	-63.7	-91.3	0	0	0	109.7	I152 E158 Y159 V166 L167 R170 P172 L232	I152-Y156 HydrophobicContact CB-CD2 4.49Å; I152-Y156 HydrophobicContact CG2-CD2 3.91Å; I152-Y156 PolarHBondContact O-N 3.33Å; Y156-E158 VanDerWaalsContact C-N 3.31Å; Y156-E158 PolarHBondContact O-N 3.35Å; Y156-Y159 WeakPolarHBondContact O-CB 3.42Å; Y156-Y159 PolarHBondContact O-N 2.8Å; Y156-V166 HydrophobicContact CD1-CG1 3.94Å; Y156-L167 HydrophobicContact CD1-CD2 3.96Å; Y156-L167 HydrophobicContact CD2-CD2 3.83Å; Y156-L167 HydrophobicContact CE1-CD2 3.88Å; Y156-L167 HydrophobicContact CE2-CD2 3.76Å; Y156-L167 HydrophobicContact CG-CD2 3.92Å; Y156-R170 WeakPolarHBondContact CE1-O 3.35Å; Y156-R170 PolarHBondContact OH-O 3.38Å; Y156-P172 HydrophobicContact CE2-CB 4.33Å; Y156-P172 WeakPolarHBondContact OH-CA 3.34Å; Y156-P172 WeakPolarHBondContact OH-CB 3.4Å; Y156-P172 WeakPolarHBondContact OH-CD 3.25Å; Y156-L232 HydrophobicContact CD2-CD2 4.41Å; Y156-L232 HydrophobicContact CE1-CD2 4.29Å; Y156-L232 HydrophobicContact CE2-CD2 3.59Å; Y156-L232 WeakPolarHBondContact OH-CD2 3.37Å
157	E	85.9	Confident	91.4	Very high	185 Å²	185	56.2 Å²	56.2	86%	0.864	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-44	-171.5	-61.1	177.8	-172.5	0	0	113.5	Y159	E157-Y159 VanDerWaalsContact C-N 3.33Å; E157-Y159 PolarHBondContact O-N 2.88Å
158	E	88.4	Confident	90.9	Very high	124 Å²	124	60.8 Å²	60.8	58%	0.579	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.1	-178.3	-61.6	-178.2	155.6	0	0	114	Y156 T160 T161 E162 V166	Y156-E158 VanDerWaalsContact C-N 3.31Å; Y156-E158 PolarHBondContact O-N 3.35Å; E158-T160 PolarHBondContact O-N 3.22Å; E158-T161 PolarHBondContact O-N 3.37Å; E158-T161 PolarHBondContact O-OG1 3.43Å; E158-E162 PolarHBondContact O-N 2.89Å; E158-V166 HydrophobicContact CB-CG2 3.98Å
159	Y	91.1	Very high	90.5	Very high	47 Å²	47	65 Å²	65	18%	0.184	35%	0.349	C	S	.	.	H	α-helix	trans	-62.6	-27.2	-176.2	178.5	-99.3	0	0	0	112.8	I152 N153 Y156 E157 T161 G163 L167	I152-Y159 HydrophobicContact CG2-CD1 3.53Å; I152-Y159 HydrophobicContact CG2-CD2 3.77Å; I152-Y159 HydrophobicContact CG2-CE1 3.66Å; I152-Y159 HydrophobicContact CG2-CE2 3.9Å; I152-Y159 HydrophobicContact CG2-CG 3.59Å; N153-Y159 WeakPolarHBondContact OD1-CD1 3.25Å; Y156-Y159 WeakPolarHBondContact O-CB 3.42Å; Y156-Y159 PolarHBondContact O-N 2.8Å; E157-Y159 VanDerWaalsContact C-N 3.33Å; E157-Y159 PolarHBondContact O-N 2.88Å; Y159-T161 VanDerWaalsContact C-N 3.26Å; Y159-T161 PolarHBondContact O-N 3.47Å; Y159-G163 WeakPolarHBondContact CD2-O 3.2Å; Y159-G163 WeakPolarHBondContact O-CA 3.37Å; Y159-G163 PolarHBondContact O-N 2.96Å; Y159-L167 HydrophobicContact CD2-CD1 4.25Å; Y159-L167 HydrophobicContact CD2-CD2 3.88Å; Y159-L167 HydrophobicContact CD2-CG 3.94Å; Y159-L167 HydrophobicContact CE2-CD1 3.69Å; Y159-L167 HydrophobicContact CE2-CD2 4.14Å; Y159-L167 HydrophobicContact CE2-CG 3.89Å
160	T	86.6	Confident	90.3	Very high	92 Å²	92	66.5 Å²	66.5	56%	0.564	36%	0.355	S	S	*	.	H	α-helix	trans	-71.4	-17.4	176.4	61.6	0	0	0	0	114	E158	E158-T160 PolarHBondContact O-N 3.22Å
161	T	89	Confident	90.3	Very high	108 Å²	108	69 Å²	69	66%	0.663	37%	0.366	S	S	*	.	H	α-helix	trans	-112.4	-44.5	-179.2	49.4	0	0	0	0	113.2	E158 Y159	E158-T161 PolarHBondContact O-N 3.37Å; E158-T161 PolarHBondContact O-OG1 3.43Å; Y159-T161 VanDerWaalsContact C-N 3.26Å; Y159-T161 PolarHBondContact O-N 3.47Å
162	E	89.6	Confident	90.4	Very high	124 Å²	124	69 Å²	69	58%	0.579	37%	0.366	S	S	*	.	H	α-helix	trans	-98.3	-10.3	-177.1	-64.3	-63.2	146.4	0	0	112.7	E158 Y164 A165 V166	E158-E162 PolarHBondContact O-N 2.89Å; E162-Y164 PolarHBondContact O-N 3.14Å; E162-A165 PolarHBondContact O-N 3.41Å; E162-V166 HydrophobicContact CB-CG2 3.59Å
163	G	88.9	Confident	90.5	Very high	23 Å²	23	69 Å²	69	24%	0.237	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	-134.7	174.4	0	0	0	0	0	113.6	Y159 A165 V166	Y159-G163 WeakPolarHBondContact CD2-O 3.2Å; Y159-G163 WeakPolarHBondContact O-CA 3.37Å; Y159-G163 PolarHBondContact O-N 2.96Å; G163-A165 PolarHBondContact O-N 3.17Å; G163-V166 PolarHBondContact O-N 2.92Å
164	Y	88.4	Confident	90.8	Very high	128 Å²	128	68.3 Å²	68.3	50%	0.502	36%	0.363	S	S	.	.	H	α-helix	trans	-56.7	-25.8	-175.7	-174.3	-93.6	0	0	0	114.1	E162 V166 L167 G193	E162-Y164 PolarHBondContact O-N 3.14Å; Y164-V166 VanDerWaalsContact C-N 3.25Å; Y164-V166 PolarHBondContact O-N 2.96Å; Y164-L167 HydrophobicContact CD2-CD1 4.14Å; Y164-L167 WeakPolarHBondContact O-CB 3.21Å; Y164-L167 PolarHBondContact O-N 3.44Å; Y164-L167 VanDerWaalsContact O-N 3.1Å; Y164-G193 VanDerWaalsContact CE2-O 3.23Å; Y164-G193 WeakPolarHBondContact CE2-O 3.4Å
165	A	90.4	Very high	91.1	Very high	56 Å²	56	66.1 Å²	66.1	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-58	-38.3	-179.6	0	0	0	0	0	112.3	E162 G163 L167 S168	E162-A165 PolarHBondContact O-N 3.41Å; G163-A165 PolarHBondContact O-N 3.17Å; A165-L167 VanDerWaalsContact C-N 3.27Å; A165-L167 PolarHBondContact O-N 3.34Å; A165-S168 PolarHBondContact O-N 3.2Å; A165-S168 PolarHBondContact O-OG 3.48Å
166	V	91.4	Very high	91.2	Very high	20 Å²	20	61.8 Å²	61.8	12%	0.121	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-36	179.6	-163.4	0	0	0	0	111.2	Y156 E158 E162 G163 Y164 S168 S169	Y156-V166 HydrophobicContact CD1-CG1 3.94Å; E158-V166 HydrophobicContact CB-CG2 3.98Å; E162-V166 HydrophobicContact CB-CG2 3.59Å; G163-V166 PolarHBondContact O-N 2.92Å; Y164-V166 VanDerWaalsContact C-N 3.25Å; Y164-V166 PolarHBondContact O-N 2.96Å; V166-S168 PolarHBondContact O-N 3.06Å; V166-S169 WeakPolarHBondContact O-CB 3.16Å; V166-S169 PolarHBondContact O-N 3.08Å; V166-S169 PolarHBondContact O-OG 2.96Å
167	L	91.2	Very high	91.1	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-68.4	-16.7	-179.1	-52.8	-174.7	0	0	0	113.6	I152 Y156 Y159 Y164 A165 S169 R170 L194	I152-L167 HydrophobicContact CG2-CD2 3.99Å; Y156-L167 HydrophobicContact CD1-CD2 3.96Å; Y156-L167 HydrophobicContact CD2-CD2 3.83Å; Y156-L167 HydrophobicContact CE1-CD2 3.88Å; Y156-L167 HydrophobicContact CE2-CD2 3.76Å; Y156-L167 HydrophobicContact CG-CD2 3.92Å; Y159-L167 HydrophobicContact CD2-CD1 4.25Å; Y159-L167 HydrophobicContact CD2-CD2 3.88Å; Y159-L167 HydrophobicContact CD2-CG 3.94Å; Y159-L167 HydrophobicContact CE2-CD1 3.69Å; Y159-L167 HydrophobicContact CE2-CD2 4.14Å; Y159-L167 HydrophobicContact CE2-CG 3.89Å; Y164-L167 HydrophobicContact CD2-CD1 4.14Å; Y164-L167 WeakPolarHBondContact O-CB 3.21Å; Y164-L167 PolarHBondContact O-N 3.44Å; Y164-L167 VanDerWaalsContact O-N 3.1Å; A165-L167 VanDerWaalsContact C-N 3.27Å; A165-L167 PolarHBondContact O-N 3.34Å; L167-S169 VanDerWaalsContact C-N 3.34Å; L167-R170 CarbonylContact O-C 3.17Å; L167-R170 VanDerWaalsContact O-O 3.14Å; L167-L194 HydrophobicContact CD1-CD2 3.66Å
168	S	85.6	Confident	91.2	Very high	97 Å²	97	54 Å²	54	68%	0.678	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.8	171.8	73.9	0	0	0	0	113.9	A165 V166	A165-S168 PolarHBondContact O-N 3.2Å; A165-S168 PolarHBondContact O-OG 3.48Å; V166-S168 PolarHBondContact O-N 3.06Å
169	S	86.4	Confident	91	Very high	88 Å²	88	49.4 Å²	49.4	62%	0.615	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-37.4	178.8	70.4	0	0	0	0	112.2	V166 L167	V166-S169 WeakPolarHBondContact O-CB 3.16Å; V166-S169 PolarHBondContact O-N 3.08Å; V166-S169 PolarHBondContact O-OG 2.96Å; L167-S169 VanDerWaalsContact C-N 3.34Å
170	R	91.4	Very high	90.7	Very high	108 Å²	108	47.6 Å²	47.6	41%	0.408	28%	0.275	S	S	.	.	S	Bend	trans	-145.3	113.2	170.1	-65.3	-172.8	68	-170.3	-0.4	108.2	Y156 L167 G230 K231 L232	Y156-R170 WeakPolarHBondContact CE1-O 3.35Å; Y156-R170 PolarHBondContact OH-O 3.38Å; L167-R170 CarbonylContact O-C 3.17Å; L167-R170 VanDerWaalsContact O-O 3.14Å; R170-G230 PolarHBondContact NE-O 3.48Å; R170-K231 PolarHBondContact NH2-O 2.89Å; R170-L232 HydrophobicContact CB-CB 4.39Å
171	Q	94	Very high	90.7	Very high	51 Å²	51	45.6 Å²	45.6	24%	0.238	26%	0.257	C	S	.	.			trans	-63.9	125.8	-179.8	-180	168.9	18.2	0	0	110.6	S197 S198 K231 L232	Q171-S197 PolarHBondContact NE2-O 2.9Å; Q171-S197 PolarHBondContact NE2-OG 2.79Å; Q171-S198 VanDerWaalsContact CG-OG 3.22Å; Q171-S198 WeakPolarHBondContact CG-OG 2.88Å; Q171-S198 VanDerWaalsContact NE2-N 3.2Å; Q171-S198 PolarHBondContact NE2-OG 2.98Å; Q171-K231 HydrophobicContact CB-CG 4.41Å; Q171-K231 CarbonylContact O-C 3.52Å; Q171-K231 WeakPolarHBondContact O-CA 3.21Å; Q171-K231 WeakPolarHBondContact O-CB 3.45Å; Q171-L232 PolarHBondContact O-N 3.3Å
172	P	96.5	Very high	90.6	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.013	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	146.8	173.1	27.7	-33.3	0	0	0	110.7	Y156 L194 S198 L232 L234	Y156-P172 HydrophobicContact CE2-CB 4.33Å; Y156-P172 WeakPolarHBondContact OH-CA 3.34Å; Y156-P172 WeakPolarHBondContact OH-CB 3.4Å; Y156-P172 WeakPolarHBondContact OH-CD 3.25Å; P172-L194 HydrophobicContact CG-CD1 4.33Å; P172-L194 HydrophobicContact CG-CD2 3.74Å; P172-S198 WeakPolarHBondContact O-CA 3.36Å; P172-S198 WeakPolarHBondContact O-CB 3.43Å; P172-S198 PolarHBondContact O-OG 3.28Å; P172-L232 CarbonylContact C-O 3.4Å; P172-L232 WeakPolarHBondContact CA-O 3.15Å; P172-L234 HydrophobicContact CB-CB 4.28Å; P172-L234 HydrophobicContact CB-CD2 3.79Å
173	V	97.6	Very high	90.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.5	173	-172.3	0	0	0	0	110.6	Y175 S198 C200 D226 K231 L232 L234 L235	V173-Y175 HydrophobicContact CB-CE2 4.02Å; V173-Y175 HydrophobicContact CG1-CD1 4.35Å; V173-Y175 HydrophobicContact CG1-CD2 4.26Å; V173-Y175 HydrophobicContact CG1-CE1 3.87Å; V173-Y175 HydrophobicContact CG1-CE2 3.76Å; V173-S198 CarbonylContact C-O 3.34Å; V173-S198 WeakPolarHBondContact CA-O 3.2Å; V173-C200 HydrophobicContact CG1-CB 3.76Å; V173-D226 HydrophobicContact CG2-CB 4.37Å; V173-K231 HydrophobicContact CG2-CB 3.81Å; V173-K231 HydrophobicContact CG2-CD 3.47Å; V173-K231 VanDerWaalsContact CG2-CD 3.47Å; V173-K231 HydrophobicContact CG2-CG 4.31Å; V173-L232 PolarHBondContact N-O 2.92Å; V173-L234 WeakPolarHBondContact O-CB 3.37Å; V173-L234 PolarHBondContact O-N 3.42Å; V173-L235 PolarHBondContact O-N 3.22Å
174	I	97.8	Very high	90.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121	171.8	-56.9	176	0	0	0	107.5	L192 L194 S198 C200 L235 I237	I174-L192 HydrophobicContact CD1-CD1 3.95Å; I174-L194 HydrophobicContact CD1-CD1 4.02Å; I174-S198 PolarHBondContact N-O 3.22Å; I174-C200 PolarHBondContact O-N 2.67Å; I174-L235 WeakPolarHBondContact CA-O 3.35Å; I174-L235 HydrophobicContact CG2-CD2 4.05Å; I174-I237 HydrophobicContact CG2-CD1 3.97Å; I174-I237 HydrophobicContact CG2-CG1 4.36Å
175	Y	97.5	Very high	90.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.2	176.6	-57.8	-91	0	0	0	109.9	V173 C200 V202 L219 L222 I223 D226 P233 L235 L236 I237	V173-Y175 HydrophobicContact CB-CE2 4.02Å; V173-Y175 HydrophobicContact CG1-CD1 4.35Å; V173-Y175 HydrophobicContact CG1-CD2 4.26Å; V173-Y175 HydrophobicContact CG1-CE1 3.87Å; V173-Y175 HydrophobicContact CG1-CE2 3.76Å; Y175-C200 WeakPolarHBondContact CA-O 3.26Å; Y175-C200 HydrophobicContact CD1-CB 3.57Å; Y175-C200 HydrophobicContact CE1-CB 3.83Å; Y175-C200 HydrophobicContact CG-CB 4.33Å; Y175-V202 HydrophobicContact CD1-CG2 4.23Å; Y175-L219 HydrophobicContact CD1-CD1 3.77Å; Y175-L219 HydrophobicContact CE1-CD1 4.37Å; Y175-L219 HydrophobicContact CG-CD1 3.97Å; Y175-L222 HydrophobicContact CE1-CB 4.34Å; Y175-I223 HydrophobicContact CE1-CG1 4.1Å; Y175-I223 HydrophobicContact CE2-CG1 4.12Å; Y175-D226 PolarHBondContact OH-OD2 3.48Å; Y175-P233 HydrophobicContact CE2-CB 3.88Å; Y175-L235 PolarHBondContact N-O 3.34Å; Y175-L236 VanDerWaalsContact CB-CD1 3.49Å; Y175-I237 PolarHBondContact O-N 3.47Å
176	Q	95.1	Very high	91.1	Very high	23 Å²	23	36.2 Å²	36.2	11%	0.107	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.4	175	64.3	174.7	18.9	0	0	110.3	C180 L199 C200 T201 V202 I237	Q176-C180 HydrophobicContact CB-CB 4.48Å; Q176-L199 HydrophobicContact CG-CD1 4.13Å; Q176-C200 PolarHBondContact N-O 2.9Å; Q176-T201 PolarHBondContact NE2-OG1 3.19Å; Q176-V202 WeakPolarHBondContact O-CB 3.32Å; Q176-V202 PolarHBondContact O-N 2.78Å; Q176-I237 HydrophobicContact CB-CB 4.4Å; Q176-I237 HydrophobicContact CB-CD1 4.27Å
177	S	90.6	Very high	91.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	152.2	167.1	175	0	0	0	0	111.1	S179 C180 V202 C204 N239	S177-S179 PolarHBondContact OG-N 3.28Å; S177-S179 VanDerWaalsContact OG-N 3.15Å; S177-C180 WeakPolarHBondContact O-CB 3.47Å; S177-C180 PolarHBondContact O-N 3.4Å; S177-V202 CarbonylContact C-O 3.55Å; S177-C204 PolarHBondContact OG-SG 3.38Å; S177-N239 VanDerWaalsContact CB-ND2 3.27Å; S177-N239 WeakPolarHBondContact CB-ND2 3.37Å; S177-N239 PolarHBondContact OG-ND2 2.91Å
178	A	87.9	Confident	91.4	Very high	36 Å²	36	36.6 Å²	36.6	30%	0.298	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-46.6	165.4	0	0	0	0	0	111.2	C180 T201 V202	A178-C180 PolarHBondContact O-N 2.94Å; A178-T201 HydrophobicContact CB-CG2 4.03Å; A178-V202 PolarHBondContact N-O 2.61Å
179	S	83.6	Confident	91.9	Very high	26 Å²	26	32 Å²	32	18%	0.182	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	36.2	175.9	-43.9	0	0	0	0	113.3	S177 C204 N239 T242 P243	S177-S179 PolarHBondContact OG-N 3.28Å; S177-S179 VanDerWaalsContact OG-N 3.15Å; S179-C204 PolarHBondContact OG-SG 3.38Å; S179-N239 PolarHBondContact O-ND2 3.26Å; S179-N239 VanDerWaalsContact O-ND2 3.08Å; S179-T242 WeakPolarHBondContact O-CG2 3.45Å; S179-P243 WeakPolarHBondContact O-CD 3.13Å
180	C	85.8	Confident	92.3	Very high	10 Å²	10	33 Å²	33	7%	0.068	18%	0.184	C	C	.	.	S	Bend	trans	-96.4	165.7	174.4	-162.2	0	0	0	0	110.5	Q176 S177 A178	Q176-C180 HydrophobicContact CB-CB 4.48Å; S177-C180 WeakPolarHBondContact O-CB 3.47Å; S177-C180 PolarHBondContact O-N 3.4Å; A178-C180 PolarHBondContact O-N 2.94Å
181	R	86.1	Confident	92.5	Very high	49 Å²	49	32.1 Å²	32.1	19%	0.185	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-55.4	125.7	-173.9	-70.4	-173.8	-72.4	159	-5.8	111.9	D140 G183 L184 P243 E268	D140-R181 IonicContact OD1-CZ 2.69Å; D140-R181 IonicContact OD1-NH1 3.64Å; D140-R181 PolarHBondContact OD1-NH1 3.28Å; D140-R181 IonicContact OD2-NH1 3.46Å; D140-R181 PolarHBondContact OD2-NH1 3.49Å; R181-G183 PolarHBondContact O-N 2.81Å; R181-L184 HydrophobicContact CB-CB 4.16Å; R181-L184 WeakPolarHBondContact O-CB 3.06Å; R181-L184 PolarHBondContact O-N 2.8Å; R181-P243 HydrophobicContact CB-CG 4.28Å; R181-P243 HydrophobicContact CG-CB 4.04Å; R181-P243 HydrophobicContact CG-CG 3.32Å; R181-E268 IonicContact CZ-OE1 2.81Å; R181-E268 IonicContact CZ-OE2 3.18Å; R181-E268 IonicContact NE-OE1 2.88Å; R181-E268 PolarHBondContact NE-OE1 2.92Å; R181-E268 IonicContact NE-OE2 3.37Å; R181-E268 IonicContact NH2-OE1 3.56Å; R181-E268 PolarHBondContact NH2-OE1 2.66Å; R181-E268 IonicContact NH2-OE2 2.71Å; R181-E268 PolarHBondContact NH2-OE2 2.73Å
182	P	85.9	Confident	92.4	Very high	109 Å²	109	30.4 Å²	30.4	71%	0.708	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	129.1	179.6	-32.2	36.7	0	0	0	113.1	L184	P182-L184 VanDerWaalsContact C-N 3.27Å; P182-L184 PolarHBondContact O-N 3.38Å
183	G	89.5	Confident	92.3	Very high	51 Å²	51	32.6 Å²	32.6	53%	0.526	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	1.9	-179.1	0	0	0	0	0	116.4	R181 Q186 H187	R181-G183 PolarHBondContact O-N 2.81Å; G183-Q186 PolarHBondContact O-N 2.71Å; G183-H187 WeakPolarHBondContact O-CB 3.21Å; G183-H187 PolarHBondContact O-N 2.98Å
184	L	92.3	Very high	92.1	Very high	2 Å²	2	33 Å²	33	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-55.3	-179.5	-177.1	66.3	0	0	0	112	R141 L144 R181 P182 Q186 H187 L188 I237	R141-L184 HydrophobicContact CB-CD1 4.18Å; R141-L184 HydrophobicContact CG-CD1 3.75Å; L144-L184 HydrophobicContact CD2-CD1 4.47Å; L144-L184 HydrophobicContact CD2-CD2 4.08Å; R181-L184 HydrophobicContact CB-CB 4.16Å; R181-L184 WeakPolarHBondContact O-CB 3.06Å; R181-L184 PolarHBondContact O-N 2.8Å; P182-L184 VanDerWaalsContact C-N 3.27Å; P182-L184 PolarHBondContact O-N 3.38Å; L184-Q186 VanDerWaalsContact C-N 3.29Å; L184-Q186 PolarHBondContact O-N 2.92Å; L184-H187 WeakPolarHBondContact O-CA 3.36Å; L184-H187 WeakPolarHBondContact O-CB 3.39Å; L184-H187 PolarHBondContact O-N 3.16Å; L184-L188 HydrophobicContact CG-CD1 4.29Å; L184-L188 HydrophobicContact CG-CG 4.46Å; L184-L188 WeakPolarHBondContact O-CG 3.45Å; L184-L188 PolarHBondContact O-N 2.92Å; L184-I237 HydrophobicContact CD2-CD1 4.3Å; L184-I237 HydrophobicContact CD2-CG2 4.41Å
185	G	92.4	Very high	91.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-57.6	-37.8	178.2	0	0	0	0	0	113.9	L188 C189	G185-L188 PolarHBondContact O-N 3.08Å; G185-C189 WeakPolarHBondContact O-CB 3.21Å; G185-C189 PolarHBondContact O-N 3.42Å; G185-C189 PolarHBondContact O-SG 3.1Å; G185-C189 VanDerWaalsContact O-SG 3.35Å
186	Q	93.6	Very high	91.7	Very high	80 Å²	80	39.6 Å²	39.6	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-63.8	-43.7	173.5	176.7	70.9	73.4	0	0	111.7	G183 L184 C189 N190	G183-Q186 PolarHBondContact O-N 2.71Å; L184-Q186 VanDerWaalsContact C-N 3.29Å; L184-Q186 PolarHBondContact O-N 2.92Å; Q186-C189 PolarHBondContact O-N 2.85Å; Q186-N190 PolarHBondContact NE2-ND2 2.72Å; Q186-N190 PolarHBondContact NE2-OD1 3.08Å; Q186-N190 WeakPolarHBondContact O-CB 3.33Å; Q186-N190 PolarHBondContact O-N 2.79Å; Q186-N190 PolarHBondContact O-ND2 2.71Å; Q186-N190 PolarHBondContact O-OD1 2.95Å
187	H	95.3	Very high	91.6	Very high	34 Å²	34	42 Å²	42	16%	0.157	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-45.1	175.5	176	107	0	0	0	111.1	G183 L184 N190 Q191	G183-H187 WeakPolarHBondContact O-CB 3.21Å; G183-H187 PolarHBondContact O-N 2.98Å; L184-H187 WeakPolarHBondContact O-CA 3.36Å; L184-H187 WeakPolarHBondContact O-CB 3.39Å; L184-H187 PolarHBondContact O-N 3.16Å; H187-N190 PolarHBondContact O-N 3Å; H187-Q191 WeakPolarHBondContact O-CB 3.24Å; H187-Q191 WeakPolarHBondContact O-CG 3.35Å; H187-Q191 PolarHBondContact O-N 3.23Å
188	L	95.8	Very high	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-49.6	176	-64.5	178.4	0	0	0	111.1	L144 V145 L184 G185 N190 Q191 L192 I237	L144-L188 HydrophobicContact CB-CD2 4.33Å; L144-L188 HydrophobicContact CD2-CD1 3.92Å; L144-L188 HydrophobicContact CD2-CD2 4.29Å; L144-L188 HydrophobicContact CG-CD1 4.13Å; L144-L188 HydrophobicContact CG-CD2 3.91Å; V145-L188 HydrophobicContact CB-CD2 4.49Å; V145-L188 HydrophobicContact CG2-CD2 3.66Å; L184-L188 HydrophobicContact CG-CD1 4.29Å; L184-L188 HydrophobicContact CG-CG 4.46Å; L184-L188 WeakPolarHBondContact O-CG 3.45Å; L184-L188 PolarHBondContact O-N 2.92Å; G185-L188 PolarHBondContact O-N 3.08Å; L188-N190 VanDerWaalsContact C-N 3.34Å; L188-N190 PolarHBondContact O-N 3.19Å; L188-Q191 PolarHBondContact O-N 3.3Å; L188-L192 HydrophobicContact CB-CD1 4.37Å; L188-L192 VanDerWaalsContact O-CB 3.27Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 WeakPolarHBondContact O-CD1 3.35Å; L188-L192 WeakPolarHBondContact O-CG 3.38Å; L188-L192 PolarHBondContact O-N 2.77Å; L188-I237 HydrophobicContact CD1-CD1 3.56Å
189	C	94.8	Very high	92.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-55.6	-48.2	176	-74	0	0	0	0	111.8	G185 Q186 Q191 L192 G193 L194 L196	G185-C189 WeakPolarHBondContact O-CB 3.21Å; G185-C189 PolarHBondContact O-N 3.42Å; G185-C189 PolarHBondContact O-SG 3.1Å; G185-C189 VanDerWaalsContact O-SG 3.35Å; Q186-C189 PolarHBondContact O-N 2.85Å; C189-Q191 PolarHBondContact O-N 3.15Å; C189-L192 PolarHBondContact O-N 3.2Å; C189-G193 PolarHBondContact O-N 2.78Å; C189-L194 HydrophobicContact CB-CB 4.49Å; C189-L194 WeakPolarHBondContact CB-O 3.21Å; C189-L194 PolarHBondContact O-N 3.07Å; C189-L196 HydrophobicContact CB-CD2 4.06Å
190	N	95	Very high	92.9	Very high	108 Å²	108	41.9 Å²	41.9	58%	0.578	25%	0.253	S	S	*	.	H	α-helix	trans	-61.8	-43.7	178.7	-68.9	-4.8	0	0	0	112.6	Q186 H187 L188 L192	Q186-N190 PolarHBondContact NE2-ND2 2.72Å; Q186-N190 PolarHBondContact NE2-OD1 3.08Å; Q186-N190 WeakPolarHBondContact O-CB 3.33Å; Q186-N190 PolarHBondContact O-N 2.79Å; Q186-N190 PolarHBondContact O-ND2 2.71Å; Q186-N190 PolarHBondContact O-OD1 2.95Å; H187-N190 PolarHBondContact O-N 3Å; L188-N190 VanDerWaalsContact C-N 3.34Å; L188-N190 PolarHBondContact O-N 3.19Å; N190-L192 VanDerWaalsContact C-N 3.31Å; N190-L192 PolarHBondContact O-N 3.28Å
191	Q	95.1	Very high	93.3	Very high	91 Å²	91	44.9 Å²	44.9	43%	0.425	27%	0.271	S	S	.	.	H	α-helix	trans	-77.7	-13	-178.9	-68.8	-63.2	-22	0	0	114.1	V145 R149 H187 L188 C189	V145-Q191 HydrophobicContact CB-CB 4.45Å; V145-Q191 HydrophobicContact CG1-CB 3.74Å; V145-Q191 HydrophobicContact CG2-CB 3.75Å; V145-Q191 HydrophobicContact CG2-CG 4.13Å; R149-Q191 PolarHBondContact NH2-O 2.79Å; H187-Q191 WeakPolarHBondContact O-CB 3.24Å; H187-Q191 WeakPolarHBondContact O-CG 3.35Å; H187-Q191 PolarHBondContact O-N 3.23Å; L188-Q191 PolarHBondContact O-N 3.3Å; C189-Q191 PolarHBondContact O-N 3.15Å
192	L	93.2	Very high	93.6	Very high	14 Å²	14	42.6 Å²	42.6	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-105.1	-9.8	176.1	-61.6	168.8	0	0	0	112.7	V145 C148 R149 I174 L188 C189 N190 L194	V145-L192 HydrophobicContact CG1-CD2 4.19Å; C148-L192 HydrophobicContact CB-CD1 3.52Å; C148-L192 HydrophobicContact CB-CD2 3.98Å; C148-L192 HydrophobicContact CB-CG 4.37Å; R149-L192 HydrophobicContact CG-CD2 3.43Å; R149-L192 VanDerWaalsContact CG-CD2 3.43Å; I174-L192 HydrophobicContact CD1-CD1 3.95Å; L188-L192 HydrophobicContact CB-CD1 4.37Å; L188-L192 VanDerWaalsContact O-CB 3.27Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 WeakPolarHBondContact O-CD1 3.35Å; L188-L192 WeakPolarHBondContact O-CG 3.38Å; L188-L192 PolarHBondContact O-N 2.77Å; C189-L192 PolarHBondContact O-N 3.2Å; N190-L192 VanDerWaalsContact C-N 3.31Å; N190-L192 PolarHBondContact O-N 3.28Å; L192-L194 VanDerWaalsContact C-N 3.26Å; L192-L194 HydrophobicContact CB-CD1 3.95Å; L192-L194 HydrophobicContact CB-CG 3.74Å; L192-L194 HydrophobicContact CD1-CD1 3.83Å
193	G	93.1	Very high	93.8	Very high	48 Å²	48	40.2 Å²	40.2	50%	0.495	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	20.2	-171.9	0	0	0	0	0	113.7	Y164 C189	Y164-G193 VanDerWaalsContact CE2-O 3.23Å; Y164-G193 WeakPolarHBondContact CE2-O 3.4Å; C189-G193 PolarHBondContact O-N 2.78Å
194	L	93.9	Very high	93.5	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.058	23%	0.225	C	C	.	.			trans	-85.9	145.4	-179.2	-61.5	177.5	0	0	0	111.3	L167 P172 I174 C189 L192	L167-L194 HydrophobicContact CD1-CD2 3.66Å; P172-L194 HydrophobicContact CG-CD1 4.33Å; P172-L194 HydrophobicContact CG-CD2 3.74Å; I174-L194 HydrophobicContact CD1-CD1 4.02Å; C189-L194 HydrophobicContact CB-CB 4.49Å; C189-L194 WeakPolarHBondContact CB-O 3.21Å; C189-L194 PolarHBondContact O-N 3.07Å; L192-L194 VanDerWaalsContact C-N 3.26Å; L192-L194 HydrophobicContact CB-CD1 3.95Å; L192-L194 HydrophobicContact CB-CG 3.74Å; L192-L194 HydrophobicContact CD1-CD1 3.83Å
195	P	93.3	Very high	92.6	Very high	48 Å²	48	39.9 Å²	39.9	31%	0.312	23%	0.234	S	C	.	.			trans	-70.2	153.4	170.1	32.4	-36.2	0	0	0	110.8	S197 S198	P195-S197 PolarHBondContact O-N 2.98Å; P195-S197 VanDerWaalsContact O-N 3.11Å; P195-S198 VanDerWaalsContact O-CB 3.28Å; P195-S198 WeakPolarHBondContact O-CB 3.18Å; P195-S198 PolarHBondContact O-N 3.47Å
196	L	93.8	Very high	91	Very high	90 Å²	90	44.2 Å²	44.2	47%	0.471	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-63.3	-18.5	179.1	-72	171.4	0	0	0	114.3	C189 S198 L199	C189-L196 HydrophobicContact CB-CD2 4.06Å; L196-S198 PolarHBondContact O-N 3.13Å; L196-L199 WeakPolarHBondContact O-CB 3.34Å; L196-L199 PolarHBondContact O-N 3.3Å
197	S	93.5	Very high	89	Confident	72 Å²	72	46.1 Å²	46.1	50%	0.503	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-69.9	-5.8	170.5	52.4	0	0	0	0	114.3	Q171 P195	Q171-S197 PolarHBondContact NE2-O 2.9Å; Q171-S197 PolarHBondContact NE2-OG 2.79Å; P195-S197 PolarHBondContact O-N 2.98Å; P195-S197 VanDerWaalsContact O-N 3.11Å
198	S	95.2	Very high	86.2	Confident	1 Å²	1	52 Å²	52	1%	0.007	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-87.2	-0.9	166.8	-77.1	0	0	0	0	113.4	Q171 P172 V173 I174 P195 L196	Q171-S198 VanDerWaalsContact CG-OG 3.22Å; Q171-S198 WeakPolarHBondContact CG-OG 2.88Å; Q171-S198 VanDerWaalsContact NE2-N 3.2Å; Q171-S198 PolarHBondContact NE2-OG 2.98Å; P172-S198 WeakPolarHBondContact O-CA 3.36Å; P172-S198 WeakPolarHBondContact O-CB 3.43Å; P172-S198 PolarHBondContact O-OG 3.28Å; V173-S198 CarbonylContact C-O 3.34Å; V173-S198 WeakPolarHBondContact CA-O 3.2Å; I174-S198 PolarHBondContact N-O 3.22Å; P195-S198 VanDerWaalsContact O-CB 3.28Å; P195-S198 WeakPolarHBondContact O-CB 3.18Å; P195-S198 PolarHBondContact O-N 3.47Å; L196-S198 PolarHBondContact O-N 3.13Å
199	L	96.4	Very high	83.7	Confident	40 Å²	40	54.2 Å²	54.2	21%	0.209	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.4	173.8	-171.2	68.1	0	0	0	109.9	Q176 L196	Q176-L199 HydrophobicContact CG-CD1 4.13Å; L196-L199 WeakPolarHBondContact O-CB 3.34Å; L196-L199 PolarHBondContact O-N 3.3Å
200	C	96.1	Very high	81.6	Confident	20 Å²	20	56.2 Å²	56.2	14%	0.135	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	108.2	174	-171.9	0	0	0	0	109.3	V173 I174 Y175 Q176	V173-C200 HydrophobicContact CG1-CB 3.76Å; I174-C200 PolarHBondContact O-N 2.67Å; Y175-C200 WeakPolarHBondContact CA-O 3.26Å; Y175-C200 HydrophobicContact CD1-CB 3.57Å; Y175-C200 HydrophobicContact CE1-CB 3.83Å; Y175-C200 HydrophobicContact CG-CB 4.33Å; Q176-C200 PolarHBondContact N-O 2.9Å
201	T	94.7	Very high	79.8	Confident	73 Å²	73	53.6 Å²	53.6	45%	0.448	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.7	171.5	-57.3	0	0	0	0	109.2	Q176 A178	Q176-T201 PolarHBondContact NE2-OG1 3.19Å; A178-T201 HydrophobicContact CB-CG2 4.03Å
202	V	93.1	Very high	78.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.8	-179.4	-172.6	0	0	0	0	108.3	Y175 Q176 S177 A178 M214 L219 L222	Y175-V202 HydrophobicContact CD1-CG2 4.23Å; Q176-V202 WeakPolarHBondContact O-CB 3.32Å; Q176-V202 PolarHBondContact O-N 2.78Å; S177-V202 CarbonylContact C-O 3.55Å; A178-V202 PolarHBondContact N-O 2.61Å; V202-M214 HydrophobicContact CB-CG 3.95Å; V202-M214 HydrophobicContact CB-SD 4.36Å; V202-M214 HydrophobicContact CG1-CG 3.5Å; V202-M214 VanDerWaalsContact CG1-CG 3.5Å; V202-M214 HydrophobicContact CG1-SD 4.2Å; V202-L219 HydrophobicContact CG1-CB 4.03Å; V202-L219 HydrophobicContact CG2-CD1 3.93Å; V202-L222 HydrophobicContact CG1-CD1 4.5Å; V202-L222 HydrophobicContact CG2-CD1 4.43Å
203	P	88.8	Confident	78	Confident	59 Å²	59	50.4 Å²	50.4	38%	0.383	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-55.2	147.4	175.1	-28.8	36.7	0	0	0	113.4	D215 L218	P203-D215 PolarHBondContact O-N 3.15Å; P203-L218 HydrophobicContact CB-CD2 4.05Å; P203-L218 HydrophobicContact CG-CD2 3.69Å
204	C	84.3	Confident	77.8	Confident	11 Å²	11	48.1 Å²	48.1	7%	0.074	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-78.9	165.4	165.3	-68.8	0	0	0	0	110.6	S177 S179 T206 Q213	S177-C204 PolarHBondContact OG-SG 3.38Å; S179-C204 PolarHBondContact OG-SG 3.38Å; C204-T206 PolarHBondContact O-N 3.08Å; C204-Q213 CarbonylContact C-O 3.59Å; C204-Q213 WeakPolarHBondContact CA-O 3.5Å; C204-Q213 WeakPolarHBondContact CB-O 3.32Å
205	N	72.8	Confident	77.6	Confident	35 Å²	35	49.7 Å²	49.7	19%	0.187	29%	0.288	C	S	.	.			trans	-73	96.2	173.1	-66.3	-91	0	0	0	108.8	I207 S210 Q213 M214	N205-I207 PolarHBondContact O-N 3.24Å; N205-I207 VanDerWaalsContact O-N 3.12Å; N205-S210 PolarHBondContact O-OG 3.16Å; N205-Q213 PolarHBondContact N-O 3.27Å; N205-Q213 PolarHBondContact ND2-O 3.07Å; N205-M214 PolarHBondContact ND2-O 3.5Å
206	T	58.7	Low	77.5	Confident	92 Å²	92	48.5 Å²	48.5	56%	0.564	28%	0.279	S	S	*	.			trans	-81.9	26.3	179.4	64.6	0	0	0	0	113.1	C204 F208 D458	C204-T206 PolarHBondContact O-N 3.08Å; T206-F208 PolarHBondContact O-N 3Å; T206-D458 WeakPolarHBondContact CG2-OD2 3.34Å
207	I	53.2	Low	77.4	Confident	120 Å²	120	47.6 Å²	47.6	62%	0.615	29%	0.285	S	S	*	.			trans	-72.9	126.9	177.1	-58.3	178.1	0	0	0	107.6	N205 G209 S210	N205-I207 PolarHBondContact O-N 3.24Å; N205-I207 VanDerWaalsContact O-N 3.12Å; I207-G209 PolarHBondContact O-N 3.12Å; I207-S210 PolarHBondContact O-N 3.24Å; I207-S210 PolarHBondContact O-OG 3.36Å
208	F	35.2	Very low	77.4	Confident	158 Å²	158	46.5 Å²	46.5	69%	0.693	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	112.4	-179.4	-172.3	-121.6	0	0	0	111.2	T206 L381	T206-F208 PolarHBondContact O-N 3Å; F208-L381 HydrophobicContact CD1-CD2 3.52Å; F208-L381 HydrophobicContact CE1-CD1 4.26Å; F208-L381 HydrophobicContact CE1-CD2 3.29Å; F208-L381 HydrophobicContact CE1-CG 4.4Å; F208-L381 HydrophobicContact CE2-CD2 4.37Å; F208-L381 HydrophobicContact CG-CD2 4.19Å; F208-L381 HydrophobicContact CZ-CD1 4.05Å; F208-L381 HydrophobicContact CZ-CD2 3.75Å
209	G	43.3	Very low	77.4	Confident	47 Å²	47	46.5 Å²	46.5	49%	0.485	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	0.6	-175.4	0	0	0	0	0	116.3	I207	I207-G209 PolarHBondContact O-N 3.12Å
210	S	50	Low	77.4	Confident	42 Å²	42	46.6 Å²	46.6	29%	0.294	27%	0.274	S	S	.	.	S	Bend	trans	-93.9	140.4	170.9	69.3	0	0	0	0	112.5	N205 I207	N205-S210 PolarHBondContact O-OG 3.16Å; I207-S210 PolarHBondContact O-N 3.24Å; I207-S210 PolarHBondContact O-OG 3.36Å
211	Q	58.3	Low	77.4	Confident	53 Å²	53	50.4 Å²	50.4	25%	0.248	29%	0.288	C	S	.	.			trans	-51.1	138.4	170.7	-65.7	174	-6.7	0	0	111.1	Q213	Q211-Q213 HydrophobicContact CB-CG 3.99Å; Q211-Q213 PolarHBondContact O-N 3.36Å
212	H	68.9	Low	77.4	Confident	22 Å²	22	48.6 Å²	48.6	10%	0.102	28%	0.276	C	S	.	.	S	Bend	trans	-69.6	72.6	179.9	-66.7	-76.5	0	0	0	112.3	H247 D458 E459	H212-H247 AromaticContact CD2-CE1 3.64Å; H212-H247 AromaticContact CD2-ND1 3.85Å; H212-D458 IonicContact CE1-OD2 2.72Å; H212-D458 IonicContact ND1-OD2 2.85Å; H212-E459 IonicContact CD2-OE1 3.59Å; H212-E459 PolarHBondContact CD2-OE1 2.66Å; H212-E459 IonicContact NE2-OE1 3.49Å; H212-E459 PolarHBondContact NE2-OE1 2.93Å
213	Q	81.6	Confident	77.6	Confident	16 Å²	16	48.7 Å²	48.7	8%	0.075	28%	0.276	C	S	.	.			trans	-108.3	143.8	-179.7	-65.2	174.5	-29.2	0	0	109.5	C204 N205 Q211 D215 T248 D249	C204-Q213 CarbonylContact C-O 3.59Å; C204-Q213 WeakPolarHBondContact CA-O 3.5Å; C204-Q213 WeakPolarHBondContact CB-O 3.32Å; N205-Q213 PolarHBondContact N-O 3.27Å; N205-Q213 PolarHBondContact ND2-O 3.07Å; Q211-Q213 HydrophobicContact CB-CG 3.99Å; Q211-Q213 PolarHBondContact O-N 3.36Å; Q213-D215 PolarHBondContact O-N 2.85Å; Q213-T248 WeakPolarHBondContact CG-O 3.3Å; Q213-T248 PolarHBondContact NE2-O 3.29Å; Q213-D249 WeakPolarHBondContact CA-OD1 3.43Å
214	M	87.9	Confident	78	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-50.1	132.5	172.2	-172.9	-172.6	-62.6	0	0	112.6	V202 N205 V216 L219 L236 I237 D249 L254	V202-M214 HydrophobicContact CB-CG 3.95Å; V202-M214 HydrophobicContact CB-SD 4.36Å; V202-M214 HydrophobicContact CG1-CG 3.5Å; V202-M214 VanDerWaalsContact CG1-CG 3.5Å; V202-M214 HydrophobicContact CG1-SD 4.2Å; N205-M214 PolarHBondContact ND2-O 3.5Å; M214-V216 PolarHBondContact O-N 3.37Å; M214-V216 VanDerWaalsContact O-N 3.13Å; M214-L219 HydrophobicContact SD-CD2 3.79Å; M214-L236 HydrophobicContact CE-CD1 3.87Å; M214-L236 HydrophobicContact SD-CD1 3.85Å; M214-I237 WeakPolarHBondContact CE-O 3Å; M214-D249 VanDerWaalsContact CB-OD1 3.31Å; M214-D249 WeakPolarHBondContact CB-OD1 3.34Å; M214-D249 PolarHBondContact N-OD1 3.32Å; M214-L254 HydrophobicContact CE-CD1 4.5Å; M214-L254 HydrophobicContact SD-CD1 4.08Å; M214-L254 HydrophobicContact SD-CD2 3.99Å
215	D	90.1	Very high	78.6	Confident	43 Å²	43	54.2 Å²	54.2	23%	0.23	29%	0.294	C	S	.	.			trans	-73.9	104.7	172.2	-178.2	2.8	0	0	0	111	P203 Q213 A217 L218 L219	P203-D215 PolarHBondContact O-N 3.15Å; Q213-D215 PolarHBondContact O-N 2.85Å; D215-A217 VanDerWaalsContact C-N 3.3Å; D215-A217 PolarHBondContact O-N 3.15Å; D215-A217 WeakPolarHBondContact OD1-CA 3.25Å; D215-A217 WeakPolarHBondContact OD1-CB 3.36Å; D215-A217 PolarHBondContact OD1-N 3.4Å; D215-L218 HydrophobicContact CB-CB 3.92Å; D215-L218 PolarHBondContact O-N 2.87Å; D215-L218 PolarHBondContact OD1-N 2.82Å; D215-L218 WeakPolarHBondContact OD2-CB 3.07Å; D215-L218 PolarHBondContact OD2-N 3.34Å; D215-L219 WeakPolarHBondContact O-CB 3.45Å; D215-L219 PolarHBondContact O-N 3Å
216	V	91.6	Very high	79.8	Confident	23 Å²	23	53.4 Å²	53.4	14%	0.139	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-34.5	176.7	-175.5	0	0	0	0	112.5	M214 D220 K250 R253 L254 L257	M214-V216 PolarHBondContact O-N 3.37Å; M214-V216 VanDerWaalsContact O-N 3.13Å; V216-D220 PolarHBondContact O-N 3.31Å; V216-D220 VanDerWaalsContact O-N 3.07Å; V216-K250 HydrophobicContact CG2-CB 4.33Å; V216-R253 HydrophobicContact CG1-CG 3.86Å; V216-L254 HydrophobicContact CG1-CD2 4.41Å; V216-L254 HydrophobicContact CG2-CD2 3.87Å; V216-L257 HydrophobicContact CG1-CD2 4.31Å
217	A	91.5	Very high	81.5	Confident	71 Å²	71	51.8 Å²	51.8	59%	0.587	28%	0.28	S	S	*	.	H	α-helix	trans	-76.3	-40.7	-178.7	0	0	0	0	0	111.1	D215 K221	D215-A217 VanDerWaalsContact C-N 3.3Å; D215-A217 PolarHBondContact O-N 3.15Å; D215-A217 WeakPolarHBondContact OD1-CA 3.25Å; D215-A217 WeakPolarHBondContact OD1-CB 3.36Å; D215-A217 PolarHBondContact OD1-N 3.4Å; A217-K221 PolarHBondContact O-N 3.5Å; A217-K221 VanDerWaalsContact O-N 3.14Å
218	L	92.7	Very high	83.6	Confident	49 Å²	49	53 Å²	53	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-66.4	-38.4	171.2	-176.7	55.3	0	0	0	111.9	P203 D215 K221 L222	P203-L218 HydrophobicContact CB-CD2 4.05Å; P203-L218 HydrophobicContact CG-CD2 3.69Å; D215-L218 HydrophobicContact CB-CB 3.92Å; D215-L218 PolarHBondContact O-N 2.87Å; D215-L218 PolarHBondContact OD1-N 2.82Å; D215-L218 WeakPolarHBondContact OD2-CB 3.07Å; D215-L218 PolarHBondContact OD2-N 3.34Å; L218-K221 HydrophobicContact CD1-CD 4.35Å; L218-K221 WeakPolarHBondContact O-CB 3.27Å; L218-K221 PolarHBondContact O-N 3.48Å; L218-L222 HydrophobicContact CD1-CD1 4.48Å; L218-L222 HydrophobicContact CD1-CG 4.32Å; L218-L222 HydrophobicContact CG-CD1 4.12Å; L218-L222 HydrophobicContact CG-CG 4.45Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.27Å; L218-L222 PolarHBondContact O-N 2.85Å
219	L	95.8	Very high	86.5	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-49.7	172.6	174.5	59.3	0	0	0	112.4	Y175 V202 M214 D215 K221 L222 I223 L236 L254 L257	Y175-L219 HydrophobicContact CD1-CD1 3.77Å; Y175-L219 HydrophobicContact CE1-CD1 4.37Å; Y175-L219 HydrophobicContact CG-CD1 3.97Å; V202-L219 HydrophobicContact CG1-CB 4.03Å; V202-L219 HydrophobicContact CG2-CD1 3.93Å; M214-L219 HydrophobicContact SD-CD2 3.79Å; D215-L219 WeakPolarHBondContact O-CB 3.45Å; D215-L219 PolarHBondContact O-N 3Å; L219-K221 PolarHBondContact O-N 2.8Å; L219-L222 PolarHBondContact O-N 3.31Å; L219-L222 VanDerWaalsContact O-N 3.16Å; L219-I223 HydrophobicContact CD1-CD1 3.66Å; L219-I223 HydrophobicContact CD1-CG1 3.9Å; L219-I223 HydrophobicContact CD2-CD1 4.44Å; L219-I223 HydrophobicContact CG-CD1 3.7Å; L219-I223 HydrophobicContact CG-CG1 4.38Å; L219-I223 VanDerWaalsContact O-CG1 3.3Å; L219-I223 WeakPolarHBondContact O-CG1 3.4Å; L219-I223 PolarHBondContact O-N 2.89Å; L219-L236 HydrophobicContact CD1-CD1 4.27Å; L219-L236 HydrophobicContact CD2-CD1 3.96Å; L219-L236 HydrophobicContact CD2-CD2 3.7Å; L219-L254 HydrophobicContact CD2-CD2 3.69Å; L219-L257 HydrophobicContact CB-CD2 4.36Å; L219-L257 HydrophobicContact CD2-CD2 3.72Å; L219-L257 HydrophobicContact CG-CD2 3.8Å
220	D	95.9	Very high	88.9	Confident	43 Å²	43	48.4 Å²	48.4	23%	0.23	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-30.4	178	177.9	52.2	0	0	0	112.4	V216 K224 L257 H261	V216-D220 PolarHBondContact O-N 3.31Å; V216-D220 VanDerWaalsContact O-N 3.07Å; D220-K224 VanDerWaalsContact O-CD 3.28Å; D220-K224 WeakPolarHBondContact O-CD 3.35Å; D220-K224 VanDerWaalsContact O-CG 3.29Å; D220-K224 WeakPolarHBondContact O-CG 3.45Å; D220-K224 PolarHBondContact O-N 3.4Å; D220-K224 WeakPolarHBondContact OD1-CE 3.35Å; D220-K224 IonicContact OD1-NZ 3.95Å; D220-K224 PolarHBondContact OD1-NZ 2.98Å; D220-K224 IonicContact OD2-NZ 3.45Å; D220-K224 PolarHBondContact OD2-NZ 3Å; D220-L257 HydrophobicContact CB-CD1 3.81Å; D220-L257 HydrophobicContact CB-CD2 4.02Å; D220-L257 WeakPolarHBondContact OD1-CD1 3.3Å; D220-H261 IonicContact OD1-CE1 2.74Å; D220-H261 IonicContact OD1-NE2 3.75Å; D220-H261 PolarHBondContact OD1-NE2 2.56Å
221	K	96.1	Very high	91.1	Very high	100 Å²	100	48.7 Å²	48.7	44%	0.435	27%	0.274	S	S	.	.	H	α-helix	trans	-68.3	-49.1	170.3	178.9	-179.2	173.8	-69.2	0	111.9	A217 L218 L219 I223 K224 E225	A217-K221 PolarHBondContact O-N 3.5Å; A217-K221 VanDerWaalsContact O-N 3.14Å; L218-K221 HydrophobicContact CD1-CD 4.35Å; L218-K221 WeakPolarHBondContact O-CB 3.27Å; L218-K221 PolarHBondContact O-N 3.48Å; L219-K221 PolarHBondContact O-N 2.8Å; K221-I223 PolarHBondContact O-N 3.41Å; K221-K224 PolarHBondContact O-N 3.32Å; K221-E225 VanDerWaalsContact CE-OE1 3.24Å; K221-E225 WeakPolarHBondContact CE-OE1 3.27Å; K221-E225 IonicContact NZ-OE1 3.68Å; K221-E225 PolarHBondContact NZ-OE1 3.47Å; K221-E225 IonicContact NZ-OE2 2.69Å; K221-E225 PolarHBondContact NZ-OE2 3.23Å; K221-E225 WeakPolarHBondContact O-CG 3.07Å; K221-E225 PolarHBondContact O-N 2.64Å
222	L	96.6	Very high	92.9	Very high	35 Å²	35	46.8 Å²	46.8	18%	0.183	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-43.3	179.5	-70.2	167.9	0	0	0	111.7	Y175 V202 L218 L219 K224 E225 D226	Y175-L222 HydrophobicContact CE1-CB 4.34Å; V202-L222 HydrophobicContact CG1-CD1 4.5Å; V202-L222 HydrophobicContact CG2-CD1 4.43Å; L218-L222 HydrophobicContact CD1-CD1 4.48Å; L218-L222 HydrophobicContact CD1-CG 4.32Å; L218-L222 HydrophobicContact CG-CD1 4.12Å; L218-L222 HydrophobicContact CG-CG 4.45Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.27Å; L218-L222 PolarHBondContact O-N 2.85Å; L219-L222 PolarHBondContact O-N 3.31Å; L219-L222 VanDerWaalsContact O-N 3.16Å; L222-K224 VanDerWaalsContact C-N 3.26Å; L222-K224 PolarHBondContact O-N 2.98Å; L222-E225 PolarHBondContact O-N 2.76Å; L222-D226 WeakPolarHBondContact O-CB 3.44Å; L222-D226 PolarHBondContact O-N 3.26Å
223	I	97.3	Very high	94.2	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-57.2	-40.3	175.8	-70.2	163.1	0	0	0	111.6	Y175 L219 K221 T227 P233 L257 H261 I263	Y175-I223 HydrophobicContact CE1-CG1 4.1Å; Y175-I223 HydrophobicContact CE2-CG1 4.12Å; L219-I223 HydrophobicContact CD1-CD1 3.66Å; L219-I223 HydrophobicContact CD1-CG1 3.9Å; L219-I223 HydrophobicContact CD2-CD1 4.44Å; L219-I223 HydrophobicContact CG-CD1 3.7Å; L219-I223 HydrophobicContact CG-CG1 4.38Å; L219-I223 VanDerWaalsContact O-CG1 3.3Å; L219-I223 WeakPolarHBondContact O-CG1 3.4Å; L219-I223 PolarHBondContact O-N 2.89Å; K221-I223 PolarHBondContact O-N 3.41Å; I223-T227 VanDerWaalsContact O-CB 3.3Å; I223-T227 WeakPolarHBondContact O-CB 3.31Å; I223-T227 PolarHBondContact O-N 3.17Å; I223-T227 PolarHBondContact O-OG1 3.3Å; I223-P233 HydrophobicContact CG2-CB 4.25Å; I223-P233 HydrophobicContact CG2-CG 3.97Å; I223-L257 HydrophobicContact CD1-CD2 4.05Å; I223-L257 HydrophobicContact CD1-CG 4.19Å; I223-H261 HydrophobicContact CG2-CB 4.09Å; I223-I263 HydrophobicContact CD1-CD1 3.54Å; I223-I263 HydrophobicContact CG1-CD1 3.85Å; I223-I263 HydrophobicContact CG2-CD1 4.05Å
224	K	97	Very high	94.9	Very high	95 Å²	95	45.4 Å²	45.4	41%	0.413	26%	0.26	S	S	.	.	H	α-helix	trans	-70.2	-46.8	177.5	-71.8	164.3	-173.6	164.6	0	111.5	D220 K221 L222 D226 T227 D228	D220-K224 VanDerWaalsContact O-CD 3.28Å; D220-K224 WeakPolarHBondContact O-CD 3.35Å; D220-K224 VanDerWaalsContact O-CG 3.29Å; D220-K224 WeakPolarHBondContact O-CG 3.45Å; D220-K224 PolarHBondContact O-N 3.4Å; D220-K224 WeakPolarHBondContact OD1-CE 3.35Å; D220-K224 IonicContact OD1-NZ 3.95Å; D220-K224 PolarHBondContact OD1-NZ 2.98Å; D220-K224 IonicContact OD2-NZ 3.45Å; D220-K224 PolarHBondContact OD2-NZ 3Å; K221-K224 PolarHBondContact O-N 3.32Å; L222-K224 VanDerWaalsContact C-N 3.26Å; L222-K224 PolarHBondContact O-N 2.98Å; K224-D226 VanDerWaalsContact C-N 3.31Å; K224-D226 PolarHBondContact O-N 3.4Å; K224-T227 PolarHBondContact O-N 2.89Å; K224-T227 VanDerWaalsContact O-N 3.12Å; K224-D228 WeakPolarHBondContact O-CB 3.48Å; K224-D228 PolarHBondContact O-N 2.75Å
225	E	96.9	Very high	95.4	Very high	91 Å²	91	45.4 Å²	45.4	43%	0.425	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-39.8	178.1	-71.4	175	155.4	0	0	112	K221 L222 A229	K221-E225 VanDerWaalsContact CE-OE1 3.24Å; K221-E225 WeakPolarHBondContact CE-OE1 3.27Å; K221-E225 IonicContact NZ-OE1 3.68Å; K221-E225 PolarHBondContact NZ-OE1 3.47Å; K221-E225 IonicContact NZ-OE2 2.69Å; K221-E225 PolarHBondContact NZ-OE2 3.23Å; K221-E225 WeakPolarHBondContact O-CG 3.07Å; K221-E225 PolarHBondContact O-N 2.64Å; L222-E225 PolarHBondContact O-N 2.76Å; E225-A229 VanDerWaalsContact O-CB 3.28Å; E225-A229 WeakPolarHBondContact O-CB 3.18Å; E225-A229 PolarHBondContact O-N 2.97Å
226	D	96.7	Very high	95.8	Very high	18 Å²	18	43.5 Å²	43.5	10%	0.096	25%	0.25	C	C	.	.	H	α-helix	trans	-72.1	-33.2	174.3	-84.4	-25.9	0	0	0	113.4	V173 Y175 L222 K224 A229 G230 K231	V173-D226 HydrophobicContact CG2-CB 4.37Å; Y175-D226 PolarHBondContact OH-OD2 3.48Å; L222-D226 WeakPolarHBondContact O-CB 3.44Å; L222-D226 PolarHBondContact O-N 3.26Å; K224-D226 VanDerWaalsContact C-N 3.31Å; K224-D226 PolarHBondContact O-N 3.4Å; D226-A229 PolarHBondContact O-N 3.43Å; D226-G230 PolarHBondContact O-N 2.9Å; D226-K231 HydrophobicContact CB-CB 4.36Å; D226-K231 HydrophobicContact CB-CD 4.13Å; D226-K231 VanDerWaalsContact O-CB 3.25Å; D226-K231 WeakPolarHBondContact O-CB 3.43Å; D226-K231 PolarHBondContact O-N 2.69Å; D226-K231 WeakPolarHBondContact OD1-CD 3.47Å; D226-K231 WeakPolarHBondContact OD1-CE 3.22Å; D226-K231 IonicContact OD1-NZ 2.65Å; D226-K231 PolarHBondContact OD1-NZ 3.31Å; D226-K231 IonicContact OD2-NZ 3.87Å
227	T	95.8	Very high	96	Very high	58 Å²	58	42.4 Å²	42.4	36%	0.356	24%	0.243	S	C	.	.	H	α-helix	trans	-69.1	-44	174.9	-60.2	0	0	0	0	111.6	I223 K224 A229 G230 P233	I223-T227 VanDerWaalsContact O-CB 3.3Å; I223-T227 WeakPolarHBondContact O-CB 3.31Å; I223-T227 PolarHBondContact O-N 3.17Å; I223-T227 PolarHBondContact O-OG1 3.3Å; K224-T227 PolarHBondContact O-N 2.89Å; K224-T227 VanDerWaalsContact O-N 3.12Å; T227-A229 VanDerWaalsContact C-N 3.27Å; T227-A229 PolarHBondContact O-N 3.08Å; T227-G230 WeakPolarHBondContact O-CA 3.5Å; T227-G230 PolarHBondContact O-N 3.26Å; T227-P233 WeakPolarHBondContact OG1-CG 3.13Å
228	D	96.5	Very high	96.2	Very high	144 Å²	144	39 Å²	39	77%	0.77	22%	0.215	S	C	*	.	H	α-helix	trans	-66.2	-30.2	175.3	-73	-20.8	0	0	0	111.5	K224 G230	K224-D228 WeakPolarHBondContact O-CB 3.48Å; K224-D228 PolarHBondContact O-N 2.75Å; D228-G230 PolarHBondContact O-N 2.8Å
229	A	95.3	Very high	96.2	Very high	69 Å²	69	36.7 Å²	36.7	57%	0.57	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	2.7	169	0	0	0	0	0	114.3	E225 D226 T227 K231	E225-A229 VanDerWaalsContact O-CB 3.28Å; E225-A229 WeakPolarHBondContact O-CB 3.18Å; E225-A229 PolarHBondContact O-N 2.97Å; D226-A229 PolarHBondContact O-N 3.43Å; T227-A229 VanDerWaalsContact C-N 3.27Å; T227-A229 PolarHBondContact O-N 3.08Å; A229-K231 VanDerWaalsContact C-N 3.3Å; A229-K231 HydrophobicContact CB-CG 4.46Å; A229-K231 PolarHBondContact O-N 3.2Å
230	G	94.6	Very high	96	Very high	40 Å²	40	36.7 Å²	36.7	41%	0.412	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	1.6	176.3	0	0	0	0	0	115.5	R170 D226 T227 D228	R170-G230 PolarHBondContact NE-O 3.48Å; D226-G230 PolarHBondContact O-N 2.9Å; T227-G230 WeakPolarHBondContact O-CA 3.5Å; T227-G230 PolarHBondContact O-N 3.26Å; D228-G230 PolarHBondContact O-N 2.8Å
231	K	95.9	Very high	95.6	Very high	48 Å²	48	34.7 Å²	34.7	21%	0.209	19%	0.192	C	C	.	.			trans	-68.5	178	175.8	-52.4	-170.7	-167.9	166.2	0	111	R170 Q171 V173 D226 A229	R170-K231 PolarHBondContact NH2-O 2.89Å; Q171-K231 HydrophobicContact CB-CG 4.41Å; Q171-K231 CarbonylContact O-C 3.52Å; Q171-K231 WeakPolarHBondContact O-CA 3.21Å; Q171-K231 WeakPolarHBondContact O-CB 3.45Å; V173-K231 HydrophobicContact CG2-CB 3.81Å; V173-K231 HydrophobicContact CG2-CD 3.47Å; V173-K231 VanDerWaalsContact CG2-CD 3.47Å; V173-K231 HydrophobicContact CG2-CG 4.31Å; D226-K231 HydrophobicContact CB-CB 4.36Å; D226-K231 HydrophobicContact CB-CD 4.13Å; D226-K231 VanDerWaalsContact O-CB 3.25Å; D226-K231 WeakPolarHBondContact O-CB 3.43Å; D226-K231 PolarHBondContact O-N 2.69Å; D226-K231 WeakPolarHBondContact OD1-CD 3.47Å; D226-K231 WeakPolarHBondContact OD1-CE 3.22Å; D226-K231 IonicContact OD1-NZ 2.65Å; D226-K231 PolarHBondContact OD1-NZ 3.31Å; D226-K231 IonicContact OD2-NZ 3.87Å; A229-K231 VanDerWaalsContact C-N 3.3Å; A229-K231 HydrophobicContact CB-CG 4.46Å; A229-K231 PolarHBondContact O-N 3.2Å
232	L	95.9	Very high	95.2	Very high	13 Å²	13	30 Å²	30	7%	0.068	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	105.4	171.8	-177.2	71.3	0	0	0	110.3	R155 Y156 R170 Q171 P172 V173 L234	R155-L232 HydrophobicContact CB-CD2 4.08Å; Y156-L232 HydrophobicContact CD2-CD2 4.41Å; Y156-L232 HydrophobicContact CE1-CD2 4.29Å; Y156-L232 HydrophobicContact CE2-CD2 3.59Å; Y156-L232 WeakPolarHBondContact OH-CD2 3.37Å; R170-L232 HydrophobicContact CB-CB 4.39Å; Q171-L232 PolarHBondContact O-N 3.3Å; P172-L232 CarbonylContact C-O 3.4Å; P172-L232 WeakPolarHBondContact CA-O 3.15Å; V173-L232 PolarHBondContact N-O 2.92Å; L232-L234 HydrophobicContact CD2-CD1 4.48Å; L232-L234 PolarHBondContact O-N 3.03Å; L232-L234 VanDerWaalsContact O-N 3.12Å
233	P	97.4	Very high	94.5	Very high	8 Å²	8	30 Å²	30	5%	0.052	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	116.5	160.9	-25.1	35	0	0	0	110.1	Y175 I223 T227 I263	Y175-P233 HydrophobicContact CE2-CB 3.88Å; I223-P233 HydrophobicContact CG2-CB 4.25Å; I223-P233 HydrophobicContact CG2-CG 3.97Å; T227-P233 WeakPolarHBondContact OG1-CG 3.13Å; P233-I263 HydrophobicContact CB-CD1 3.6Å; P233-I263 HydrophobicContact CB-CG1 3.7Å
234	L	96.4	Very high	93.8	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-57.1	-168.5	-179.8	69.7	0	0	0	112.3	A151 I152 R155 P172 V173 L232 W264	A151-L234 HydrophobicContact CB-CD1 4.03Å; A151-L234 HydrophobicContact CB-CG 4.21Å; I152-L234 HydrophobicContact CD1-CD2 4.46Å; I152-L234 HydrophobicContact CG1-CD2 3.67Å; R155-L234 HydrophobicContact CB-CD1 4.13Å; R155-L234 HydrophobicContact CG-CD1 4.03Å; P172-L234 HydrophobicContact CB-CB 4.28Å; P172-L234 HydrophobicContact CB-CD2 3.79Å; V173-L234 WeakPolarHBondContact O-CB 3.37Å; V173-L234 PolarHBondContact O-N 3.42Å; L232-L234 HydrophobicContact CD2-CD1 4.48Å; L232-L234 PolarHBondContact O-N 3.03Å; L232-L234 VanDerWaalsContact O-N 3.12Å; L234-W264 PolarHBondContact O-N 3.49Å
235	L	97.2	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	144.4	-172.5	-175.5	145.5	0	0	0	111.1	L144 V147 V173 I174 Y175 I237 W264 H266	L144-L235 HydrophobicContact CD1-CD2 4.41Å; V147-L235 HydrophobicContact CG1-CD1 3.87Å; V173-L235 PolarHBondContact O-N 3.22Å; I174-L235 WeakPolarHBondContact CA-O 3.35Å; I174-L235 HydrophobicContact CG2-CD2 4.05Å; Y175-L235 PolarHBondContact N-O 3.34Å; L235-I237 HydrophobicContact CD2-CD1 4.39Å; L235-I237 HydrophobicContact CD2-CG1 3.54Å; L235-W264 CarbonylContact C-O 3.51Å; L235-W264 WeakPolarHBondContact CA-O 3.37Å; L235-W264 HydrophobicContact CB-CB 4.24Å; L235-W264 HydrophobicContact CD1-CB 4.15Å; L235-W264 HydrophobicContact CD1-CG 4Å; L235-W264 HydrophobicContact CG-CB 4.16Å; L235-W264 HydrophobicContact CG-CG 4.43Å; L235-H266 HydrophobicContact CD2-CB 4.3Å
236	L	97.7	Very high	92.2	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.4	172.1	177.5	65.1	0	0	0	109.7	Y175 M214 L219 L254 C258 I263 W264 L265 H266	Y175-L236 VanDerWaalsContact CB-CD1 3.49Å; M214-L236 HydrophobicContact CE-CD1 3.87Å; M214-L236 HydrophobicContact SD-CD1 3.85Å; L219-L236 HydrophobicContact CD1-CD1 4.27Å; L219-L236 HydrophobicContact CD2-CD1 3.96Å; L219-L236 HydrophobicContact CD2-CD2 3.7Å; L236-L254 HydrophobicContact CD2-CB 4.13Å; L236-L254 HydrophobicContact CD2-CD1 4.36Å; L236-L254 HydrophobicContact CD2-CD2 4.14Å; L236-L254 HydrophobicContact CD2-CG 4.45Å; L236-C258 VanDerWaalsContact CD2-SG 3.59Å; L236-I263 HydrophobicContact CB-CG2 4.05Å; L236-W264 PolarHBondContact N-O 2.54Å; L236-L265 HydrophobicContact CB-CD1 4.32Å; L236-L265 HydrophobicContact CD2-CD1 3.97Å; L236-L265 HydrophobicContact CG-CD1 4.16Å; L236-H266 PolarHBondContact O-N 3.17Å
237	I	96.8	Very high	91.6	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.7	172	-52.1	167.3	0	0	0	107.6	L144 I174 Y175 Q176 L184 L188 M214 L235 E268	L144-I237 HydrophobicContact CD2-CD1 3.89Å; L144-I237 HydrophobicContact CD2-CG1 4.19Å; L144-I237 HydrophobicContact CD2-CG2 4.46Å; I174-I237 HydrophobicContact CG2-CD1 3.97Å; I174-I237 HydrophobicContact CG2-CG1 4.36Å; Y175-I237 PolarHBondContact O-N 3.47Å; Q176-I237 HydrophobicContact CB-CB 4.4Å; Q176-I237 HydrophobicContact CB-CD1 4.27Å; L184-I237 HydrophobicContact CD2-CD1 4.3Å; L184-I237 HydrophobicContact CD2-CG2 4.41Å; L188-I237 HydrophobicContact CD1-CD1 3.56Å; M214-I237 WeakPolarHBondContact CE-O 3Å; L235-I237 HydrophobicContact CD2-CD1 4.39Å; L235-I237 HydrophobicContact CD2-CG1 3.54Å; I237-E268 HydrophobicContact CG2-CG 4.14Å
238	A	95.3	Very high	91.2	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.8	178.4	0	0	0	0	0	111.6	D249 L251 L254 L265 H266 V267 E268	A238-D249 HydrophobicContact CB-CB 4.48Å; A238-L251 HydrophobicContact CB-CD2 3.8Å; A238-L254 HydrophobicContact CB-CD1 3.64Å; A238-L265 HydrophobicContact CB-CD1 3.95Å; A238-H266 PolarHBondContact N-O 2.87Å; A238-V267 WeakPolarHBondContact O-CA 3.12Å; A238-E268 PolarHBondContact O-N 2.82Å; A238-E268 VanDerWaalsContact O-N 3.1Å
239	N	92.9	Very high	90.9	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.3	-175.6	-67.2	-49.3	0	0	0	111.9	S177 S179 T242 D249 E268	S177-N239 VanDerWaalsContact CB-ND2 3.27Å; S177-N239 WeakPolarHBondContact CB-ND2 3.37Å; S177-N239 PolarHBondContact OG-ND2 2.91Å; S179-N239 PolarHBondContact O-ND2 3.26Å; S179-N239 VanDerWaalsContact O-ND2 3.08Å; N239-T242 HydrophobicContact CB-CG2 3.7Å; N239-D249 PolarHBondContact N-OD2 2.84Å; N239-D249 WeakPolarHBondContact O-CB 3.28Å; N239-D249 PolarHBondContact O-N 2.79Å; N239-E268 CarbonylContact C-O 3.56Å; N239-E268 WeakPolarHBondContact CA-O 3.39Å
240	A	91.9	Very high	90.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-105.4	68.1	166.2	0	0	0	0	0	109.3	L251 V267 E268 G269 V270 N271 L272	A240-L251 HydrophobicContact CB-CD1 3.97Å; A240-V267 HydrophobicContact CB-CG1 3.42Å; A240-V267 VanDerWaalsContact CB-CG1 3.42Å; A240-E268 PolarHBondContact N-O 3.1Å; A240-G269 CarbonylContact O-C 3.5Å; A240-G269 VanDerWaalsContact O-CA 3.31Å; A240-G269 WeakPolarHBondContact O-CA 3.29Å; A240-V270 PolarHBondContact O-N 3.03Å; A240-N271 WeakPolarHBondContact O-CA 3.45Å; A240-N271 VanDerWaalsContact O-CB 3.29Å; A240-N271 WeakPolarHBondContact O-CB 3.45Å; A240-N271 PolarHBondContact O-N 3.35Å; A240-L272 HydrophobicContact CB-CD2 3.59Å; A240-L272 HydrophobicContact CB-CG 3.74Å
241	G	88.2	Confident	90.6	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	8%	0.075	C	C	.	.	S	Bend	trans	98.8	89.1	-168	0	0	0	0	0	111.1	H247 G269 V270 N271	G241-H247 CarbonylContact C-O 3.57Å; G241-H247 WeakPolarHBondContact CA-O 3.4Å; G241-H247 PolarHBondContact N-O 3.22Å; G241-G269 WeakPolarHBondContact O-CA 3.41Å; G241-V270 PolarHBondContact O-N 2.72Å; G241-N271 WeakPolarHBondContact CA-ND2 3.17Å
242	T	87.1	Confident	90.5	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	8%	0.081	C	C	.	.			trans	-55.2	154.6	177.2	53.7	0	0	0	0	112.3	S179 N239 E244 G246 H247	S179-T242 WeakPolarHBondContact O-CG2 3.45Å; N239-T242 HydrophobicContact CB-CG2 3.7Å; T242-E244 PolarHBondContact O-N 2.98Å; T242-G246 WeakPolarHBondContact O-CA 3.29Å; T242-G246 PolarHBondContact O-N 2.96Å; T242-G246 PolarHBondContact OG1-N 2.84Å; T242-H247 HydrophobicContact CG2-CB 4.06Å; T242-H247 PolarHBondContact N-O 2.99Å; T242-H247 PolarHBondContact OG1-N 2.77Å
243	P	82.1	Confident	90.4	Very high	37 Å²	37	19.8 Å²	19.8	24%	0.24	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-45.7	-168.8	-22.2	35	0	0	0	113.8	S179 R181 R464	S179-P243 WeakPolarHBondContact O-CD 3.13Å; R181-P243 HydrophobicContact CB-CG 4.28Å; R181-P243 HydrophobicContact CG-CB 4.04Å; R181-P243 HydrophobicContact CG-CG 3.32Å; P243-R464 PolarHBondContact O-NH1 3.11Å
244	E	81.4	Confident	90.3	Very high	45 Å²	45	19.4 Å²	19.4	21%	0.21	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-54.5	174.2	-58	81.8	-144.5	0	0	110.9	T242 V454 L456 R464	T242-E244 PolarHBondContact O-N 2.98Å; E244-V454 HydrophobicContact CB-CB 4.06Å; E244-V454 HydrophobicContact CB-CG1 4.26Å; E244-V454 HydrophobicContact CB-CG2 4.22Å; E244-V454 HydrophobicContact CG-CB 4.19Å; E244-V454 HydrophobicContact CG-CG1 4.41Å; E244-L456 HydrophobicContact CB-CD2 3.61Å; E244-L456 HydrophobicContact CG-CD2 4.15Å; E244-R464 WeakPolarHBondContact O-CD 3.08Å; E244-R464 PolarHBondContact O-NH1 2.79Å
245	A	79.3	Confident	90.2	Very high	9 Å²	9	19.7 Å²	19.7	7%	0.074	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-7.4	-158.6	0	0	0	0	0	116.7	H247 L404 L456	A245-H247 VanDerWaalsContact CB-ND1 3.34Å; A245-H247 WeakPolarHBondContact CB-ND1 3.47Å; A245-H247 PolarHBondContact O-N 2.86Å; A245-L404 HydrophobicContact CB-CD1 3.45Å; A245-L404 VanDerWaalsContact CB-CD1 3.45Å; A245-L404 HydrophobicContact CB-CG 4.42Å; A245-L456 HydrophobicContact CB-CD2 4.27Å
246	G	82.5	Confident	90.2	Very high	5 Å²	5	23.4 Å²	23.4	5%	0.052	12%	0.116	C	C	.	.			trans	67.2	14.8	-178.1	0	0	0	0	0	115	T242 N271	T242-G246 WeakPolarHBondContact O-CA 3.29Å; T242-G246 PolarHBondContact O-N 2.96Å; T242-G246 PolarHBondContact OG1-N 2.84Å; G246-N271 PolarHBondContact O-ND2 2.73Å
247	H	84.1	Confident	90.1	Very high	19 Å²	19	23.5 Å²	23.5	9%	0.088	12%	0.116	C	C	.	.			trans	-69.2	141.2	178.2	-73.5	117.6	0	0	0	112	H212 G241 T242 A245	H212-H247 AromaticContact CD2-CE1 3.64Å; H212-H247 AromaticContact CD2-ND1 3.85Å; G241-H247 CarbonylContact C-O 3.57Å; G241-H247 WeakPolarHBondContact CA-O 3.4Å; G241-H247 PolarHBondContact N-O 3.22Å; T242-H247 HydrophobicContact CG2-CB 4.06Å; T242-H247 PolarHBondContact N-O 2.99Å; T242-H247 PolarHBondContact OG1-N 2.77Å; A245-H247 VanDerWaalsContact CB-ND1 3.34Å; A245-H247 WeakPolarHBondContact CB-ND1 3.47Å; A245-H247 PolarHBondContact O-N 2.86Å
248	T	87.5	Confident	90.1	Very high	16 Å²	16	23.5 Å²	23.5	10%	0.098	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-109.6	121.6	179.8	-57	0	0	0	0	109.6	Q213 L251 N271 A283 V284	Q213-T248 WeakPolarHBondContact CG-O 3.3Å; Q213-T248 PolarHBondContact NE2-O 3.29Å; T248-L251 HydrophobicContact CG2-CD1 4.28Å; T248-L251 HydrophobicContact CG2-CG 4.4Å; T248-N271 PolarHBondContact OG1-ND2 3.42Å; T248-A283 HydrophobicContact CG2-CB 3.7Å; T248-V284 HydrophobicContact CG2-CG2 3.89Å
249	D	90.2	Very high	90.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.139	C	C	.	.			trans	-60.4	165.3	173.8	-81.1	-34.2	0	0	0	112.2	Q213 M214 A238 N239 L251 L254	Q213-D249 WeakPolarHBondContact CA-OD1 3.43Å; M214-D249 VanDerWaalsContact CB-OD1 3.31Å; M214-D249 WeakPolarHBondContact CB-OD1 3.34Å; M214-D249 PolarHBondContact N-OD1 3.32Å; A238-D249 HydrophobicContact CB-CB 4.48Å; N239-D249 PolarHBondContact N-OD2 2.84Å; N239-D249 WeakPolarHBondContact O-CB 3.28Å; N239-D249 PolarHBondContact O-N 2.79Å; D249-L251 HydrophobicContact CB-CD2 3.92Å; D249-L251 WeakPolarHBondContact O-CG 3.3Å; D249-L251 PolarHBondContact O-N 3.17Å; D249-L254 HydrophobicContact CB-CD1 3.81Å
250	K	90.1	Very high	90.3	Very high	100 Å²	100	33.7 Å²	33.7	44%	0.435	17%	0.167	S	C	.	.			trans	-76.1	58.2	177	-68.8	172.9	170.2	111.2	0	111.5	V216 S252 R253 L254	V216-K250 HydrophobicContact CG2-CB 4.33Å; K250-S252 PolarHBondContact O-N 2.89Å; K250-R253 HydrophobicContact CB-CB 4.43Å; K250-R253 WeakPolarHBondContact O-CA 3.42Å; K250-R253 WeakPolarHBondContact O-CB 3.38Å; K250-R253 PolarHBondContact O-N 2.82Å; K250-L254 PolarHBondContact O-N 3.24Å
251	L	93.1	Very high	90.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-49.1	-46.9	-166.5	-59.2	-178.1	0	0	0	114.3	A238 A240 T248 D249 R253 L254 K255 V267 A287	A238-L251 HydrophobicContact CB-CD2 3.8Å; A240-L251 HydrophobicContact CB-CD1 3.97Å; T248-L251 HydrophobicContact CG2-CD1 4.28Å; T248-L251 HydrophobicContact CG2-CG 4.4Å; D249-L251 HydrophobicContact CB-CD2 3.92Å; D249-L251 WeakPolarHBondContact O-CG 3.3Å; D249-L251 PolarHBondContact O-N 3.17Å; L251-R253 PolarHBondContact O-N 2.79Å; L251-L254 PolarHBondContact O-N 3.24Å; L251-K255 PolarHBondContact O-N 2.9Å; L251-V267 HydrophobicContact CD1-CG1 4.07Å; L251-V267 HydrophobicContact CD2-CG1 4.13Å; L251-V267 HydrophobicContact CD2-CG2 4.23Å; L251-A287 HydrophobicContact CD1-CB 3.76Å
252	S	93.4	Very high	90.8	Very high	48 Å²	48	38.1 Å²	38.1	34%	0.336	20%	0.196	S	C	.	.	H	α-helix	trans	-58.3	-36.8	178.6	-65.1	0	0	0	0	112.7	K250 E256 G286	K250-S252 PolarHBondContact O-N 2.89Å; S252-E256 WeakPolarHBondContact O-CG 3.49Å; S252-E256 PolarHBondContact O-N 2.66Å; S252-G286 WeakPolarHBondContact OG-CA 3.48Å
253	R	93.1	Very high	91.3	Very high	120 Å²	120	38.4 Å²	38.4	45%	0.453	20%	0.197	S	C	.	.	H	α-helix	trans	-81.3	-34.7	178.2	-177.4	61.7	-176.6	159.5	5.5	112.1	V216 K250 L251 K255 E256 L257	V216-R253 HydrophobicContact CG1-CG 3.86Å; K250-R253 HydrophobicContact CB-CB 4.43Å; K250-R253 WeakPolarHBondContact O-CA 3.42Å; K250-R253 WeakPolarHBondContact O-CB 3.38Å; K250-R253 PolarHBondContact O-N 2.82Å; L251-R253 PolarHBondContact O-N 2.79Å; R253-K255 VanDerWaalsContact C-N 3.32Å; R253-E256 VanDerWaalsContact CD-OE2 3.22Å; R253-E256 WeakPolarHBondContact CD-OE2 3.26Å; R253-E256 IonicContact CZ-OE2 3.85Å; R253-E256 IonicContact NE-OE2 2.68Å; R253-E256 IonicContact NH1-OE2 2.69Å; R253-E256 PolarHBondContact NH1-OE2 3.17Å; R253-E256 PolarHBondContact O-N 3.47Å; R253-L257 PolarHBondContact O-N 2.95Å; R253-L257 VanDerWaalsContact O-N 3.11Å
254	L	95.1	Very high	92	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-39.2	170.6	-67.3	-178.6	0	0	0	111.4	M214 V216 L219 L236 A238 D249 K250 L251 L257 C258	M214-L254 HydrophobicContact CE-CD1 4.5Å; M214-L254 HydrophobicContact SD-CD1 4.08Å; M214-L254 HydrophobicContact SD-CD2 3.99Å; V216-L254 HydrophobicContact CG1-CD2 4.41Å; V216-L254 HydrophobicContact CG2-CD2 3.87Å; L219-L254 HydrophobicContact CD2-CD2 3.69Å; L236-L254 HydrophobicContact CD2-CB 4.13Å; L236-L254 HydrophobicContact CD2-CD1 4.36Å; L236-L254 HydrophobicContact CD2-CD2 4.14Å; L236-L254 HydrophobicContact CD2-CG 4.45Å; A238-L254 HydrophobicContact CB-CD1 3.64Å; D249-L254 HydrophobicContact CB-CD1 3.81Å; K250-L254 PolarHBondContact O-N 3.24Å; L251-L254 PolarHBondContact O-N 3.24Å; L254-L257 PolarHBondContact O-N 3.12Å; L254-C258 WeakPolarHBondContact O-CB 3.18Å; L254-C258 PolarHBondContact O-N 2.98Å; L254-C258 PolarHBondContact O-SG 3.03Å
255	K	95.9	Very high	92.8	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.035	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-42.3	175.2	-173.6	48.4	175.8	160.6	0	112.1	L251 R253 L257 C258 D259 L265 R289 D291	L251-K255 PolarHBondContact O-N 2.9Å; R253-K255 VanDerWaalsContact C-N 3.32Å; K255-L257 VanDerWaalsContact C-N 3.27Å; K255-L257 PolarHBondContact O-N 2.72Å; K255-C258 HydrophobicContact CD-CB 4.47Å; K255-C258 PolarHBondContact O-N 2.85Å; K255-D259 WeakPolarHBondContact CE-OD1 3.32Å; K255-D259 IonicContact NZ-OD1 3.56Å; K255-D259 PolarHBondContact NZ-OD1 3.07Å; K255-D259 WeakPolarHBondContact O-CB 3.37Å; K255-D259 VanDerWaalsContact O-CG 3.24Å; K255-D259 PolarHBondContact O-N 2.91Å; K255-L265 HydrophobicContact CB-CD2 3.71Å; K255-L265 HydrophobicContact CD-CB 4.19Å; K255-L265 HydrophobicContact CD-CD2 3.94Å; K255-L265 HydrophobicContact CG-CD2 4.25Å; K255-R289 WeakPolarHBondContact CE-O 3.22Å; K255-R289 HydrophobicContact CG-CB 4.22Å; K255-D291 IonicContact NZ-OD1 3.35Å; K255-D291 PolarHBondContact NZ-OD1 3Å; K255-D291 IonicContact NZ-OD2 3.55Å; K255-D291 PolarHBondContact NZ-OD2 3.02Å
256	E	96.4	Very high	93.6	Very high	78 Å²	78	35.2 Å²	35.2	36%	0.364	18%	0.177	S	C	.	.	H	α-helix	trans	-56.1	-40.9	171.9	-73.8	169.4	-167.3	0	0	112.7	S252 R253 Q260	S252-E256 WeakPolarHBondContact O-CG 3.49Å; S252-E256 PolarHBondContact O-N 2.66Å; R253-E256 VanDerWaalsContact CD-OE2 3.22Å; R253-E256 WeakPolarHBondContact CD-OE2 3.26Å; R253-E256 IonicContact CZ-OE2 3.85Å; R253-E256 IonicContact NE-OE2 2.68Å; R253-E256 IonicContact NH1-OE2 2.69Å; R253-E256 PolarHBondContact NH1-OE2 3.17Å; R253-E256 PolarHBondContact O-N 3.47Å; E256-Q260 WeakPolarHBondContact O-CG 3.1Å; E256-Q260 PolarHBondContact O-N 3Å; E256-Q260 VanDerWaalsContact O-N 3.16Å; E256-Q260 PolarHBondContact O-NE2 2.9Å
257	L	96.3	Very high	94.3	Very high	4 Å²	4	35 Å²	35	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-70.2	-41	178.4	-174.7	63.4	0	0	0	111.8	V216 L219 D220 I223 R253 L254 K255 Q260 H261	V216-L257 HydrophobicContact CG1-CD2 4.31Å; L219-L257 HydrophobicContact CB-CD2 4.36Å; L219-L257 HydrophobicContact CD2-CD2 3.72Å; L219-L257 HydrophobicContact CG-CD2 3.8Å; D220-L257 HydrophobicContact CB-CD1 3.81Å; D220-L257 HydrophobicContact CB-CD2 4.02Å; D220-L257 WeakPolarHBondContact OD1-CD1 3.3Å; I223-L257 HydrophobicContact CD1-CD2 4.05Å; I223-L257 HydrophobicContact CD1-CG 4.19Å; R253-L257 PolarHBondContact O-N 2.95Å; R253-L257 VanDerWaalsContact O-N 3.11Å; L254-L257 PolarHBondContact O-N 3.12Å; K255-L257 VanDerWaalsContact C-N 3.27Å; K255-L257 PolarHBondContact O-N 2.72Å; L257-Q260 PolarHBondContact O-N 3.41Å; L257-H261 PolarHBondContact O-CD2 3.04Å; L257-H261 PolarHBondContact O-N 3.27Å; L257-H261 VanDerWaalsContact O-N 3.15Å
258	C	96.9	Very high	94.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-43.2	174.2	-71	0	0	0	0	112.2	L236 L254 K255 Q260 H261 G262 I263 L265	L236-C258 VanDerWaalsContact CD2-SG 3.59Å; L254-C258 WeakPolarHBondContact O-CB 3.18Å; L254-C258 PolarHBondContact O-N 2.98Å; L254-C258 PolarHBondContact O-SG 3.03Å; K255-C258 HydrophobicContact CD-CB 4.47Å; K255-C258 PolarHBondContact O-N 2.85Å; C258-Q260 VanDerWaalsContact C-N 3.3Å; C258-Q260 PolarHBondContact O-N 2.88Å; C258-H261 PolarHBondContact O-N 3.42Å; C258-G262 WeakPolarHBondContact O-CA 3.31Å; C258-G262 PolarHBondContact O-N 3.2Å; C258-I263 HydrophobicContact CB-CB 4.27Å; C258-I263 WeakPolarHBondContact CB-O 3.35Å; C258-I263 PolarHBondContact O-N 3.28Å; C258-L265 HydrophobicContact CB-CB 4.37Å
259	D	96.2	Very high	95	Very high	88 Å²	88	34.6 Å²	34.6	47%	0.471	18%	0.176	S	C	.	.	H	α-helix	trans	-63.7	-33.4	176.5	-71.4	-27.1	0	0	0	112	K255 R289	K255-D259 WeakPolarHBondContact CE-OD1 3.32Å; K255-D259 IonicContact NZ-OD1 3.56Å; K255-D259 PolarHBondContact NZ-OD1 3.07Å; K255-D259 WeakPolarHBondContact O-CB 3.37Å; K255-D259 VanDerWaalsContact O-CG 3.24Å; K255-D259 PolarHBondContact O-N 2.91Å; D259-R289 IonicContact OD2-NH2 2.82Å
260	Q	96.2	Very high	95	Very high	127 Å²	127	35.4 Å²	35.4	59%	0.593	18%	0.182	S	C	*	.	H	α-helix	trans	-71.3	-41.9	176.7	-79.5	163.9	78.9	0	0	113.4	E256 L257 C258	E256-Q260 WeakPolarHBondContact O-CG 3.1Å; E256-Q260 PolarHBondContact O-N 3Å; E256-Q260 VanDerWaalsContact O-N 3.16Å; E256-Q260 PolarHBondContact O-NE2 2.9Å; L257-Q260 PolarHBondContact O-N 3.41Å; C258-Q260 VanDerWaalsContact C-N 3.3Å; C258-Q260 PolarHBondContact O-N 2.88Å
261	H	95.4	Very high	95.1	Very high	59 Å²	59	31 Å²	31	27%	0.273	16%	0.163	S	C	.	.	H	α-helix	trans	-94.5	-5.9	-177	-66.7	-70.5	0	0	0	113.5	D220 I223 L257 C258 I263	D220-H261 IonicContact OD1-CE1 2.74Å; D220-H261 IonicContact OD1-NE2 3.75Å; D220-H261 PolarHBondContact OD1-NE2 2.56Å; I223-H261 HydrophobicContact CG2-CB 4.09Å; L257-H261 PolarHBondContact O-CD2 3.04Å; L257-H261 PolarHBondContact O-N 3.27Å; L257-H261 VanDerWaalsContact O-N 3.15Å; C258-H261 PolarHBondContact O-N 3.42Å; H261-I263 HydrophobicContact CB-CD1 3.72Å; H261-I263 HydrophobicContact CB-CG1 3.89Å
262	G	94.9	Very high	95.2	Very high	34 Å²	34	31 Å²	31	35%	0.351	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	37.1	-176.7	0	0	0	0	0	113.3	R155 C258	R155-G262 PolarHBondContact NH2-O 3Å; C258-G262 WeakPolarHBondContact O-CA 3.31Å; C258-G262 PolarHBondContact O-N 3.2Å
263	I	97.1	Very high	95.2	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.041	15%	0.147	C	C	.	.			trans	-95.1	141.1	179.7	-60.7	171	0	0	0	108.7	I223 P233 L236 C258 H261	I223-I263 HydrophobicContact CD1-CD1 3.54Å; I223-I263 HydrophobicContact CG1-CD1 3.85Å; I223-I263 HydrophobicContact CG2-CD1 4.05Å; P233-I263 HydrophobicContact CB-CD1 3.6Å; P233-I263 HydrophobicContact CB-CG1 3.7Å; L236-I263 HydrophobicContact CB-CG2 4.05Å; C258-I263 HydrophobicContact CB-CB 4.27Å; C258-I263 WeakPolarHBondContact CB-O 3.35Å; C258-I263 PolarHBondContact O-N 3.28Å; H261-I263 HydrophobicContact CB-CD1 3.72Å; H261-I263 HydrophobicContact CB-CG1 3.89Å
264	W	97	Very high	95.2	Very high	24 Å²	24	23.2 Å²	23.2	9%	0.091	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127	174.7	-172.2	-75.5	0	0	0	111	V147 L150 A151 L234 L235 L236 D291 S292 E315	V147-W264 HydrophobicContact CG1-CZ2 4.27Å; V147-W264 VanDerWaalsContact CG1-NE1 3.27Å; L150-W264 HydrophobicContact CD2-CH2 3.57Å; L150-W264 HydrophobicContact CD2-CZ2 4.1Å; L150-W264 HydrophobicContact CD2-CZ3 4.25Å; L150-W264 HydrophobicContact CG-CH2 4.33Å; A151-W264 HydrophobicContact CB-CB 4.33Å; A151-W264 HydrophobicContact CB-CE3 4.5Å; A151-W264 HydrophobicContact CB-CG 4.45Å; L234-W264 PolarHBondContact O-N 3.49Å; L235-W264 CarbonylContact C-O 3.51Å; L235-W264 WeakPolarHBondContact CA-O 3.37Å; L235-W264 HydrophobicContact CB-CB 4.24Å; L235-W264 HydrophobicContact CD1-CB 4.15Å; L235-W264 HydrophobicContact CD1-CG 4Å; L235-W264 HydrophobicContact CG-CB 4.16Å; L235-W264 HydrophobicContact CG-CG 4.43Å; L236-W264 PolarHBondContact N-O 2.54Å; W264-D291 HydrophobicContact CD2-CB 3.78Å; W264-D291 HydrophobicContact CE3-CB 4.3Å; W264-D291 HydrophobicContact CG-CB 4.12Å; W264-D291 HydrophobicContact CH2-CB 4.39Å; W264-D291 HydrophobicContact CZ2-CB 3.9Å; W264-D291 WeakPolarHBondContact CZ2-O 3.49Å; W264-S292 PolarHBondContact NE1-OG 2.7Å; W264-E315 HydrophobicContact CH2-CG 3.96Å; W264-E315 HydrophobicContact CZ3-CG 4.06Å
265	L	97.6	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.8	173.7	-177.8	64	0	0	0	111.4	L236 A238 K255 C258 V267 D291 S292	L236-L265 HydrophobicContact CB-CD1 4.32Å; L236-L265 HydrophobicContact CD2-CD1 3.97Å; L236-L265 HydrophobicContact CG-CD1 4.16Å; A238-L265 HydrophobicContact CB-CD1 3.95Å; K255-L265 HydrophobicContact CB-CD2 3.71Å; K255-L265 HydrophobicContact CD-CB 4.19Å; K255-L265 HydrophobicContact CD-CD2 3.94Å; K255-L265 HydrophobicContact CG-CD2 4.25Å; C258-L265 HydrophobicContact CB-CB 4.37Å; L265-V267 HydrophobicContact CD1-CG2 4.42Å; L265-V267 HydrophobicContact CD2-CG2 4.18Å; L265-V267 HydrophobicContact CG-CG2 4.02Å; L265-D291 PolarHBondContact N-OD2 3.31Å; L265-D291 PolarHBondContact O-N 2.94Å; L265-S292 PolarHBondContact O-N 3.28Å; L265-S292 VanDerWaalsContact O-N 3.12Å
266	H	97.2	Very high	95	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	141.9	162.5	-167.9	75.5	0	0	0	111	L144 L235 L236 A238 S292 T294	L144-H266 HydrophobicContact CD1-CB 3.95Å; L235-H266 HydrophobicContact CD2-CB 4.3Å; L236-H266 PolarHBondContact O-N 3.17Å; A238-H266 PolarHBondContact N-O 2.87Å; H266-S292 WeakPolarHBondContact CA-O 3.43Å; H266-S292 PolarHBondContact ND1-OG 3.29Å; H266-T294 PolarHBondContact CE1-OG1 2.93Å; H266-T294 PolarHBondContact NE2-OG1 3.04Å
267	V	96.6	Very high	94.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.4	174.9	-175.3	0	0	0	0	111	A238 A240 L251 L265 L272 A287 S292 M293 T294	A238-V267 WeakPolarHBondContact O-CA 3.12Å; A240-V267 HydrophobicContact CB-CG1 3.42Å; A240-V267 VanDerWaalsContact CB-CG1 3.42Å; L251-V267 HydrophobicContact CD1-CG1 4.07Å; L251-V267 HydrophobicContact CD2-CG1 4.13Å; L251-V267 HydrophobicContact CD2-CG2 4.23Å; L265-V267 HydrophobicContact CD1-CG2 4.42Å; L265-V267 HydrophobicContact CD2-CG2 4.18Å; L265-V267 HydrophobicContact CG-CG2 4.02Å; V267-L272 HydrophobicContact CG1-CD2 3.99Å; V267-A287 HydrophobicContact CG1-CB 4.1Å; V267-S292 PolarHBondContact N-O 2.8Å; V267-M293 HydrophobicContact CB-CB 4.37Å; V267-M293 CarbonylContact O-C 3.58Å; V267-M293 WeakPolarHBondContact O-CA 3.23Å; V267-M293 VanDerWaalsContact O-CB 3.3Å; V267-M293 WeakPolarHBondContact O-CB 3.13Å; V267-T294 PolarHBondContact O-N 3.29Å
268	E	94.8	Very high	94.3	Very high	7 Å²	7	24 Å²	24	3%	0.033	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.1	173.9	58.4	171.8	-122.8	0	0	111.1	R181 I237 A238 N239 A240	R181-E268 IonicContact CZ-OE1 2.81Å; R181-E268 IonicContact CZ-OE2 3.18Å; R181-E268 IonicContact NE-OE1 2.88Å; R181-E268 PolarHBondContact NE-OE1 2.92Å; R181-E268 IonicContact NE-OE2 3.37Å; R181-E268 IonicContact NH2-OE1 3.56Å; R181-E268 PolarHBondContact NH2-OE1 2.66Å; R181-E268 IonicContact NH2-OE2 2.71Å; R181-E268 PolarHBondContact NH2-OE2 2.73Å; I237-E268 HydrophobicContact CG2-CG 4.14Å; A238-E268 PolarHBondContact O-N 2.82Å; A238-E268 VanDerWaalsContact O-N 3.1Å; N239-E268 CarbonylContact C-O 3.56Å; N239-E268 WeakPolarHBondContact CA-O 3.39Å; A240-E268 PolarHBondContact N-O 3.1Å
269	G	92.1	Very high	93.7	Very high	19 Å²	19	31.7 Å²	31.7	20%	0.196	18%	0.182	C	C	.	.	S	Bend	trans	144.1	168.3	175	0	0	0	0	0	114.3	A240 G241	A240-G269 CarbonylContact O-C 3.5Å; A240-G269 VanDerWaalsContact O-CA 3.31Å; A240-G269 WeakPolarHBondContact O-CA 3.29Å; G241-G269 WeakPolarHBondContact O-CA 3.41Å
270	V	90.7	Very high	93.1	Very high	19 Å²	19	29 Å²	29	12%	0.115	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-75.2	-28	-173.9	-67.6	0	0	0	0	113.5	A240 G241 L272 A273 V402 L468 L469	A240-V270 PolarHBondContact O-N 3.03Å; G241-V270 PolarHBondContact O-N 2.72Å; V270-L272 PolarHBondContact O-N 3.39Å; V270-A273 WeakPolarHBondContact O-CB 3.35Å; V270-A273 PolarHBondContact O-N 3.4Å; V270-V402 HydrophobicContact CG2-CG2 3.68Å; V270-L468 HydrophobicContact CB-CD2 4.29Å; V270-L468 WeakPolarHBondContact O-CD2 3.17Å; V270-L469 HydrophobicContact CG1-CD1 4.38Å; V270-L469 HydrophobicContact CG1-CD2 4.09Å
271	N	91.4	Very high	92.5	Very high	8 Å²	8	23.5 Å²	23.5	4%	0.043	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-73.6	-13.7	-177.4	-56.5	-9.7	0	0	0	112.3	A240 G241 G246 T248 A273 T274 V284 P401	A240-N271 WeakPolarHBondContact O-CA 3.45Å; A240-N271 VanDerWaalsContact O-CB 3.29Å; A240-N271 WeakPolarHBondContact O-CB 3.45Å; A240-N271 PolarHBondContact O-N 3.35Å; G241-N271 WeakPolarHBondContact CA-ND2 3.17Å; G246-N271 PolarHBondContact O-ND2 2.73Å; T248-N271 PolarHBondContact OG1-ND2 3.42Å; N271-A273 PolarHBondContact O-N 2.83Å; N271-A273 VanDerWaalsContact O-N 3.15Å; N271-T274 WeakPolarHBondContact O-CB 3.35Å; N271-T274 WeakPolarHBondContact O-CG2 3.46Å; N271-T274 PolarHBondContact O-N 3.47Å; N271-T274 PolarHBondContact O-OG1 2.81Å; N271-V284 HydrophobicContact CB-CG2 3.83Å; N271-P401 WeakPolarHBondContact OD1-CD 3.36Å; N271-P401 WeakPolarHBondContact OD1-CG 3.4Å
272	L	94.9	Very high	91.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-54.7	-27.5	168.6	-67.3	176.8	0	0	0	112.7	A240 V267 V270 T274 L275 A287 M293 T294 L295 W300	A240-L272 HydrophobicContact CB-CD2 3.59Å; A240-L272 HydrophobicContact CB-CG 3.74Å; V267-L272 HydrophobicContact CG1-CD2 3.99Å; V270-L272 PolarHBondContact O-N 3.39Å; L272-T274 PolarHBondContact O-N 2.93Å; L272-L275 HydrophobicContact CB-CD1 4.48Å; L272-L275 HydrophobicContact CD2-CD1 3.87Å; L272-L275 WeakPolarHBondContact O-CB 3.47Å; L272-L275 PolarHBondContact O-N 3.08Å; L272-A287 HydrophobicContact CD2-CB 3.57Å; L272-M293 HydrophobicContact CD1-CB 4.28Å; L272-M293 HydrophobicContact CD2-CE 4.49Å; L272-T294 WeakPolarHBondContact CD1-O 3.43Å; L272-L295 HydrophobicContact CB-CD2 4.17Å; L272-L295 HydrophobicContact CD1-CD2 4.26Å; L272-W300 HydrophobicContact CB-CH2 3.74Å; L272-W300 HydrophobicContact CB-CZ2 4.08Å
273	A	93.9	Very high	91.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-55.6	-37.1	172	0	0	0	0	0	112.3	V270 N271 L275 A276 W300 I355 L468	V270-A273 WeakPolarHBondContact O-CB 3.35Å; V270-A273 PolarHBondContact O-N 3.4Å; N271-A273 PolarHBondContact O-N 2.83Å; N271-A273 VanDerWaalsContact O-N 3.15Å; A273-L275 PolarHBondContact O-N 3.36Å; A273-L275 VanDerWaalsContact O-N 3.16Å; A273-A276 WeakPolarHBondContact O-CB 3.47Å; A273-A276 PolarHBondContact O-N 3.25Å; A273-W300 HydrophobicContact CB-CD2 3.72Å; A273-W300 HydrophobicContact CB-CE3 3.92Å; A273-W300 HydrophobicContact CB-CG 4Å; A273-W300 HydrophobicContact CB-CZ2 4.45Å; A273-W300 HydrophobicContact CB-CZ3 4.35Å; A273-I355 HydrophobicContact CB-CD1 4.22Å; A273-I355 HydrophobicContact CB-CG1 4.35Å; A273-I355 HydrophobicContact CB-CG2 4.24Å; A273-L468 HydrophobicContact CB-CD1 3.95Å; A273-L468 HydrophobicContact CB-CD2 3.59Å; A273-L468 HydrophobicContact CB-CG 4.38Å
274	T	92.9	Very high	90.9	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.025	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-64	-20.7	-176.9	69.8	0	0	0	0	113.3	N271 L272 A276 L277 V280 P401	N271-T274 WeakPolarHBondContact O-CB 3.35Å; N271-T274 WeakPolarHBondContact O-CG2 3.46Å; N271-T274 PolarHBondContact O-N 3.47Å; N271-T274 PolarHBondContact O-OG1 2.81Å; L272-T274 PolarHBondContact O-N 2.93Å; T274-A276 PolarHBondContact O-N 2.92Å; T274-A276 VanDerWaalsContact O-N 3.08Å; T274-L277 VanDerWaalsContact O-CB 3.26Å; T274-L277 WeakPolarHBondContact O-CB 3.29Å; T274-L277 PolarHBondContact O-N 2.89Å; T274-V280 WeakPolarHBondContact O-CG2 3.46Å; T274-P401 HydrophobicContact CG2-CG 4.46Å
275	L	94.1	Very high	90.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-56.5	-26.7	174.8	-68.9	163.8	0	0	0	112.9	F127 R128 L272 A273 L277 V280 V284 M285 A287 T288 M293	F127-L275 HydrophobicContact CB-CB 4.41Å; F127-L275 HydrophobicContact CD1-CB 4.22Å; R128-L275 WeakPolarHBondContact CD-O 3.4Å; R128-L275 PolarHBondContact NE-O 2.95Å; L272-L275 HydrophobicContact CB-CD1 4.48Å; L272-L275 HydrophobicContact CD2-CD1 3.87Å; L272-L275 WeakPolarHBondContact O-CB 3.47Å; L272-L275 PolarHBondContact O-N 3.08Å; A273-L275 PolarHBondContact O-N 3.36Å; A273-L275 VanDerWaalsContact O-N 3.16Å; L275-L277 VanDerWaalsContact C-N 3.31Å; L275-V280 HydrophobicContact CD2-CG1 4.25Å; L275-V284 HydrophobicContact CD2-CG1 4.1Å; L275-V284 HydrophobicContact CG-CG1 3.96Å; L275-M285 HydrophobicContact CD2-SD 4.17Å; L275-A287 HydrophobicContact CD1-CB 4.33Å; L275-T288 HydrophobicContact CD2-CG2 3.68Å; L275-M293 HydrophobicContact CD1-CE 4.32Å; L275-M293 HydrophobicContact CD1-SD 4.41Å
276	A	93	Very high	90.4	Very high	6 Å²	6	25.5 Å²	25.5	5%	0.05	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-70.7	-23	175.2	0	0	0	0	0	113.8	I126 F127 A273 T274 I351 V352 I355	I126-A276 HydrophobicContact CG2-CB 3.61Å; I126-A276 WeakPolarHBondContact O-CA 3.41Å; F127-A276 HydrophobicContact CD1-CB 4.42Å; F127-A276 HydrophobicContact CE1-CB 4.03Å; A273-A276 WeakPolarHBondContact O-CB 3.47Å; A273-A276 PolarHBondContact O-N 3.25Å; T274-A276 PolarHBondContact O-N 2.92Å; T274-A276 VanDerWaalsContact O-N 3.08Å; A276-I351 HydrophobicContact CB-CG2 4.5Å; A276-V352 HydrophobicContact CB-CG2 4.44Å; A276-V352 VanDerWaalsContact O-CG2 3.24Å; A276-V352 WeakPolarHBondContact O-CG2 3.44Å; A276-I355 HydrophobicContact CB-CD1 3.94Å
277	L	91.4	Very high	90.2	Very high	15 Å²	15	25.5 Å²	25.5	8%	0.079	16%	0.159	C	C	.	.	S	Bend	trans	-69.5	162.8	177.4	-58.4	179.9	0	0	0	110.9	R128 T274 L275 Q279 V280 V352 I355 R356	R128-L277 PolarHBondContact NH2-O 3.42Å; T274-L277 VanDerWaalsContact O-CB 3.26Å; T274-L277 WeakPolarHBondContact O-CB 3.29Å; T274-L277 PolarHBondContact O-N 2.89Å; L275-L277 VanDerWaalsContact C-N 3.31Å; L277-Q279 VanDerWaalsContact CB-O 3.3Å; L277-Q279 WeakPolarHBondContact CB-O 3.34Å; L277-V280 WeakPolarHBondContact O-CG2 3.46Å; L277-V352 HydrophobicContact CD2-CG1 4.16Å; L277-I355 HydrophobicContact CD1-CG2 4.21Å; L277-I355 HydrophobicContact CD2-CB 4.16Å; L277-I355 HydrophobicContact CD2-CG2 3.9Å; L277-I355 HydrophobicContact CG-CG2 3.97Å; L277-R356 HydrophobicContact CD2-CB 4.05Å
278	A	85.9	Confident	90.1	Very high	84 Å²	84	27.1 Å²	27.1	69%	0.694	17%	0.169	S	C	*	.	S	Bend	trans	-74.4	-48.7	177.7	0	0	0	0	0	111.7	R128	R128-A278 PolarHBondContact NH2-O 3.29Å
279	Q	83.9	Confident	90.1	Very high	162 Å²	162	32.2 Å²	32.2	76%	0.757	19%	0.188	S	C	*	.	S	Bend	trans	-89.2	134.7	168.6	-69.7	166.6	-29	0	0	108.3	L277	L277-Q279 VanDerWaalsContact CB-O 3.3Å; L277-Q279 WeakPolarHBondContact CB-O 3.34Å
280	V	84.3	Confident	90.2	Very high	31 Å²	31	31.5 Å²	31.5	19%	0.188	18%	0.18	C	C	.	.			trans	-143.9	141.4	-177.9	-171.2	0	0	0	0	107.8	R128 T274 L275 L277 V284 M285	R128-V280 VanDerWaalsContact CZ-CG2 3.48Å; T274-V280 WeakPolarHBondContact O-CG2 3.46Å; L275-V280 HydrophobicContact CD2-CG1 4.25Å; L277-V280 WeakPolarHBondContact O-CG2 3.46Å; V280-V284 HydrophobicContact CG1-CB 4.26Å; V280-V284 HydrophobicContact CG1-CG1 4.28Å; V280-M285 HydrophobicContact CB-CG 3.89Å; V280-M285 HydrophobicContact CB-SD 3.94Å; V280-M285 HydrophobicContact CG1-CG 3.89Å; V280-M285 HydrophobicContact CG1-SD 4.06Å; V280-M285 HydrophobicContact CG2-SD 4.37Å
281	T	82.5	Confident	90.5	Very high	13 Å²	13	31.2 Å²	31.2	8%	0.08	18%	0.177	C	C	.	.			trans	-63.4	151.5	-178.2	55.1	0	0	0	0	112.3	A283 V284 M285 D396 N399	T281-A283 VanDerWaalsContact C-N 3.31Å; T281-A283 PolarHBondContact O-N 3.3Å; T281-V284 PolarHBondContact O-N 2.96Å; T281-V284 WeakPolarHBondContact OG1-CB 3.39Å; T281-V284 VanDerWaalsContact OG1-CG2 3.23Å; T281-V284 WeakPolarHBondContact OG1-CG2 3.35Å; T281-M285 WeakPolarHBondContact O-CB 3.49Å; T281-M285 WeakPolarHBondContact O-CG 3.42Å; T281-M285 PolarHBondContact O-N 3.38Å; T281-D396 WeakPolarHBondContact CA-OD1 3.45Å; T281-D396 WeakPolarHBondContact CB-OD1 3.36Å; T281-D396 HydrophobicContact CG2-CB 4.46Å; T281-N399 HydrophobicContact CG2-CB 3.74Å
282	S	81	Confident	90.7	Very high	85 Å²	85	30.8 Å²	30.8	59%	0.594	18%	0.175	S	C	*	.	H	α-helix	trans	-66.1	-36.6	-174.7	83.6	0	0	0	0	111.8	D396	S282-D396 PolarHBondContact N-OD1 2.88Å; S282-D396 PolarHBondContact OG-OD1 3.3Å; S282-D396 PolarHBondContact OG-OD2 3.39Å
283	A	83.4	Confident	90.8	Very high	20 Å²	20	30.8 Å²	30.8	17%	0.165	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-52.9	174.4	0	0	0	0	0	112.3	T248 T281 M285 G286 D396	T248-A283 HydrophobicContact CG2-CB 3.7Å; T281-A283 VanDerWaalsContact C-N 3.31Å; T281-A283 PolarHBondContact O-N 3.3Å; A283-M285 PolarHBondContact O-N 3.42Å; A283-G286 PolarHBondContact O-N 3.25Å; A283-G286 VanDerWaalsContact O-N 3.17Å; A283-D396 PolarHBondContact N-OD2 3.46Å
284	V	89.3	Confident	91	Very high	2 Å²	2	31 Å²	31	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-69.3	-34	-176.5	179	0	0	0	0	111.8	T248 N271 L275 V280 T281 G286 A287	T248-V284 HydrophobicContact CG2-CG2 3.89Å; N271-V284 HydrophobicContact CB-CG2 3.83Å; L275-V284 HydrophobicContact CD2-CG1 4.1Å; L275-V284 HydrophobicContact CG-CG1 3.96Å; V280-V284 HydrophobicContact CG1-CB 4.26Å; V280-V284 HydrophobicContact CG1-CG1 4.28Å; T281-V284 PolarHBondContact O-N 2.96Å; T281-V284 WeakPolarHBondContact OG1-CB 3.39Å; T281-V284 VanDerWaalsContact OG1-CG2 3.23Å; T281-V284 WeakPolarHBondContact OG1-CG2 3.35Å; V284-G286 PolarHBondContact O-N 3.05Å; V284-A287 WeakPolarHBondContact O-CB 3.38Å; V284-A287 PolarHBondContact O-N 3.22Å
285	M	92.4	Very high	91.1	Very high	59 Å²	59	30.9 Å²	30.9	29%	0.291	18%	0.176	S	C	.	.	H	α-helix	trans	-55.8	-25.8	173.7	-83.9	-61.1	-53.3	0	0	113.1	R128 L275 V280 T281 A283 A287 T288	R128-M285 PolarHBondContact NH1-SD 2.99Å; L275-M285 HydrophobicContact CD2-SD 4.17Å; V280-M285 HydrophobicContact CB-CG 3.89Å; V280-M285 HydrophobicContact CB-SD 3.94Å; V280-M285 HydrophobicContact CG1-CG 3.89Å; V280-M285 HydrophobicContact CG1-SD 4.06Å; V280-M285 HydrophobicContact CG2-SD 4.37Å; T281-M285 WeakPolarHBondContact O-CB 3.49Å; T281-M285 WeakPolarHBondContact O-CG 3.42Å; T281-M285 PolarHBondContact O-N 3.38Å; A283-M285 PolarHBondContact O-N 3.42Å; M285-A287 PolarHBondContact O-N 3.41Å; M285-T288 HydrophobicContact CE-CG2 3.95Å; M285-T288 WeakPolarHBondContact O-CB 3.31Å; M285-T288 WeakPolarHBondContact O-CG2 3.47Å; M285-T288 PolarHBondContact O-N 3.37Å; M285-T288 PolarHBondContact O-OG1 3.11Å; M285-T288 HydrophobicContact SD-CG2 4.35Å
286	G	91.6	Very high	91.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.01	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-58.9	-27	172.2	0	0	0	0	0	114.4	S252 A283 V284 T288 R289	S252-G286 WeakPolarHBondContact OG-CA 3.48Å; A283-G286 PolarHBondContact O-N 3.25Å; A283-G286 VanDerWaalsContact O-N 3.17Å; V284-G286 PolarHBondContact O-N 3.05Å; G286-T288 PolarHBondContact O-N 3.22Å; G286-R289 PolarHBondContact O-N 2.84Å
287	A	94.5	Very high	91.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-60.9	-31.3	177.9	0	0	0	0	0	113.1	L251 V267 L272 L275 V284 M285 R289 S290 M293	L251-A287 HydrophobicContact CD1-CB 3.76Å; V267-A287 HydrophobicContact CG1-CB 4.1Å; L272-A287 HydrophobicContact CD2-CB 3.57Å; L275-A287 HydrophobicContact CD1-CB 4.33Å; V284-A287 WeakPolarHBondContact O-CB 3.38Å; V284-A287 PolarHBondContact O-N 3.22Å; M285-A287 PolarHBondContact O-N 3.41Å; A287-R289 PolarHBondContact O-N 2.85Å; A287-R289 VanDerWaalsContact O-N 3.08Å; A287-S290 VanDerWaalsContact O-CB 3.27Å; A287-S290 WeakPolarHBondContact O-CB 3.29Å; A287-S290 PolarHBondContact O-N 3.48Å; A287-S290 PolarHBondContact O-OG 3.35Å; A287-M293 HydrophobicContact CB-CE 3.95Å; A287-M293 WeakPolarHBondContact O-CE 3.42Å
288	T	94.6	Very high	91	Very high	34 Å²	34	31.2 Å²	31.2	21%	0.209	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-57.7	-23.2	177.9	61.9	0	0	0	0	113.7	R128 L275 M285 G286	R128-T288 HydrophobicContact CB-CG2 3.72Å; R128-T288 WeakPolarHBondContact O-CB 3.3Å; R128-T288 WeakPolarHBondContact O-CG2 3.26Å; L275-T288 HydrophobicContact CD2-CG2 3.68Å; M285-T288 HydrophobicContact CE-CG2 3.95Å; M285-T288 WeakPolarHBondContact O-CB 3.31Å; M285-T288 WeakPolarHBondContact O-CG2 3.47Å; M285-T288 PolarHBondContact O-N 3.37Å; M285-T288 PolarHBondContact O-OG1 3.11Å; M285-T288 HydrophobicContact SD-CG2 4.35Å; G286-T288 PolarHBondContact O-N 3.22Å
289	R	93.7	Very high	91.2	Very high	113 Å²	113	33.5 Å²	33.5	43%	0.426	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-93.2	0.5	177.8	-67.1	176.7	55.7	-151.8	-8.4	114	K255 D259 G286 A287	K255-R289 WeakPolarHBondContact CE-O 3.22Å; K255-R289 HydrophobicContact CG-CB 4.22Å; D259-R289 IonicContact OD2-NH2 2.82Å; G286-R289 PolarHBondContact O-N 2.84Å; A287-R289 PolarHBondContact O-N 2.85Å; A287-R289 VanDerWaalsContact O-N 3.08Å
290	S	95.5	Very high	91.6	Very high	4 Å²	4	26 Å²	26	3%	0.028	14%	0.135	C	C	.	.	S	Bend	trans	-69	155.5	-178.6	62.9	0	0	0	0	112.6	Y129 A287 S292	Y129-S290 VanDerWaalsContact CE2-O 3.25Å; Y129-S290 WeakPolarHBondContact CE2-O 3.46Å; Y129-S290 PolarHBondContact OH-O 3.08Å; A287-S290 VanDerWaalsContact O-CB 3.27Å; A287-S290 WeakPolarHBondContact O-CB 3.29Å; A287-S290 PolarHBondContact O-N 3.48Å; A287-S290 PolarHBondContact O-OG 3.35Å; S290-S292 VanDerWaalsContact C-N 3.27Å; S290-S292 PolarHBondContact OG-O 2.75Å
291	D	96.1	Very high	91.9	Very high	13 Å²	13	24.6 Å²	24.6	7%	0.07	13%	0.127	C	C	.	.	S	Bend	trans	-80.4	-16.3	177.6	-49.2	-68.2	0	0	0	111.1	Y129 K255 W264 L265 R313	Y129-D291 VanDerWaalsContact OH-C 3.24Å; Y129-D291 PolarHBondContact OH-O 3.09Å; Y129-D291 VanDerWaalsContact OH-O 3.14Å; K255-D291 IonicContact NZ-OD1 3.35Å; K255-D291 PolarHBondContact NZ-OD1 3Å; K255-D291 IonicContact NZ-OD2 3.55Å; K255-D291 PolarHBondContact NZ-OD2 3.02Å; W264-D291 HydrophobicContact CD2-CB 3.78Å; W264-D291 HydrophobicContact CE3-CB 4.3Å; W264-D291 HydrophobicContact CG-CB 4.12Å; W264-D291 HydrophobicContact CH2-CB 4.39Å; W264-D291 HydrophobicContact CZ2-CB 3.9Å; W264-D291 WeakPolarHBondContact CZ2-O 3.49Å; L265-D291 PolarHBondContact N-OD2 3.31Å; L265-D291 PolarHBondContact O-N 2.94Å; D291-R313 WeakPolarHBondContact O-CB 3.3Å; D291-R313 PolarHBondContact O-N 3.22Å; D291-R313 IonicContact OD1-NH1 3.04Å; D291-R313 PolarHBondContact OD1-NH1 3.43Å
292	S	96.7	Very high	92.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	159.4	164.2	53.2	0	0	0	0	112.4	V147 W264 L265 H266 V267 S290 L311	V147-S292 WeakPolarHBondContact CG1-OG 3.23Å; W264-S292 PolarHBondContact NE1-OG 2.7Å; L265-S292 PolarHBondContact O-N 3.28Å; L265-S292 VanDerWaalsContact O-N 3.12Å; H266-S292 WeakPolarHBondContact CA-O 3.43Å; H266-S292 PolarHBondContact ND1-OG 3.29Å; V267-S292 PolarHBondContact N-O 2.8Å; S290-S292 VanDerWaalsContact C-N 3.27Å; S290-S292 PolarHBondContact OG-O 2.75Å; S292-L311 CarbonylContact C-O 3.6Å; S292-L311 WeakPolarHBondContact CA-O 3.34Å; S292-L311 WeakPolarHBondContact CB-O 3.47Å
293	M	96.8	Very high	92.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.2	172.5	60.7	173.5	60.7	0	0	113.1	Y129 V267 L272 L275 A287 L295 T310 L311	Y129-M293 HydrophobicContact CD2-CE 3.59Å; Y129-M293 HydrophobicContact CD2-CG 4.5Å; Y129-M293 HydrophobicContact CD2-SD 4.2Å; Y129-M293 HydrophobicContact CE2-CE 4.05Å; Y129-M293 HydrophobicContact CG-CE 4.43Å; V267-M293 HydrophobicContact CB-CB 4.37Å; V267-M293 CarbonylContact O-C 3.58Å; V267-M293 WeakPolarHBondContact O-CA 3.23Å; V267-M293 VanDerWaalsContact O-CB 3.3Å; V267-M293 WeakPolarHBondContact O-CB 3.13Å; L272-M293 HydrophobicContact CD1-CB 4.28Å; L272-M293 HydrophobicContact CD2-CE 4.49Å; L275-M293 HydrophobicContact CD1-CE 4.32Å; L275-M293 HydrophobicContact CD1-SD 4.41Å; A287-M293 HydrophobicContact CB-CE 3.95Å; A287-M293 WeakPolarHBondContact O-CE 3.42Å; M293-L295 HydrophobicContact CG-CD2 4.32Å; M293-L295 HydrophobicContact SD-CD2 3.88Å; M293-T310 CarbonylContact O-C 3.6Å; M293-T310 WeakPolarHBondContact O-CA 3.45Å; M293-L311 HydrophobicContact CG-CB 3.99Å; M293-L311 PolarHBondContact N-O 3.27Å; M293-L311 PolarHBondContact O-N 3.46Å; M293-L311 HydrophobicContact SD-CD1 4.43Å
294	T	96.4	Very high	92.5	Very high	5 Å²	5	22 Å²	22	3%	0.031	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118	176.6	-62.2	0	0	0	0	111.5	H137 H266 V267 L272 T310	H137-T294 VanDerWaalsContact NE2-CG2 3.25Å; H137-T294 WeakPolarHBondContact NE2-CG2 3.21Å; H266-T294 PolarHBondContact CE1-OG1 2.93Å; H266-T294 PolarHBondContact NE2-OG1 3.04Å; V267-T294 PolarHBondContact O-N 3.29Å; L272-T294 WeakPolarHBondContact CD1-O 3.43Å; T294-T310 PolarHBondContact OG1-OG1 2.83Å
295	L	96	Very high	92.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.1	178.3	-51.2	178.1	0	0	0	110.7	F127 L272 M293 P297 W300 V309 L311	F127-L295 HydrophobicContact CB-CD1 4.31Å; F127-L295 HydrophobicContact CD1-CD2 4.46Å; F127-L295 HydrophobicContact CD2-CD1 3.53Å; F127-L295 HydrophobicContact CE2-CD1 4.04Å; F127-L295 HydrophobicContact CG-CD1 3.93Å; F127-L295 HydrophobicContact CG-CD2 4.27Å; L272-L295 HydrophobicContact CB-CD2 4.17Å; L272-L295 HydrophobicContact CD1-CD2 4.26Å; M293-L295 HydrophobicContact CG-CD2 4.32Å; M293-L295 HydrophobicContact SD-CD2 3.88Å; L295-P297 VanDerWaalsContact O-CD 3.26Å; L295-P297 WeakPolarHBondContact O-CD 3.25Å; L295-W300 HydrophobicContact CB-CH2 3.79Å; L295-W300 HydrophobicContact CB-CZ3 3.86Å; L295-W300 HydrophobicContact CD2-CH2 3.64Å; L295-W300 HydrophobicContact CD2-CZ3 3.97Å; L295-W300 HydrophobicContact CG-CH2 4.32Å; L295-W300 HydrophobicContact CG-CZ3 4.45Å; L295-V309 WeakPolarHBondContact CB-O 3.34Å; L295-V309 PolarHBondContact N-O 2.95Å; L295-V309 PolarHBondContact O-N 3.42Å; L295-L311 HydrophobicContact CD1-CD1 3.72Å; L295-L311 HydrophobicContact CD1-CG 3.85Å; L295-L311 HydrophobicContact CG-CG 4.44Å
296	T	94.1	Very high	92.1	Very high	18 Å²	18	23.5 Å²	23.5	11%	0.11	13%	0.129	C	C	.	.			trans	-118.8	58.7	176.3	49.9	0	0	0	0	112.3	D140 G298 R299 W300 A308	D140-T296 HydrophobicContact CB-CG2 4.28Å; T296-G298 PolarHBondContact O-N 3.42Å; T296-R299 PolarHBondContact O-N 2.93Å; T296-W300 PolarHBondContact O-N 2.93Å; T296-W300 PolarHBondContact OG1-NE1 3.11Å; T296-A308 HydrophobicContact CG2-CB 4.18Å
297	P	92.6	Very high	92	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-23.3	-172.8	27.3	-36.1	0	0	0	113.8	L295 W300 L301 L339	L295-P297 VanDerWaalsContact O-CD 3.26Å; L295-P297 WeakPolarHBondContact O-CD 3.25Å; P297-W300 HydrophobicContact CB-CE3 4.45Å; P297-L301 HydrophobicContact CB-CD1 4.32Å; P297-L301 VanDerWaalsContact O-CB 3.27Å; P297-L301 WeakPolarHBondContact O-CB 3.5Å; P297-L301 WeakPolarHBondContact O-CG 3.47Å; P297-L301 PolarHBondContact O-N 2.83Å; P297-L301 VanDerWaalsContact O-N 3.12Å; P297-L339 HydrophobicContact CB-CD1 4.11Å; P297-L339 HydrophobicContact CG-CD1 3.94Å; P297-L339 HydrophobicContact CG-CD2 3.77Å
298	G	90.9	Very high	92	Very high	10 Å²	10	24.1 Å²	24.1	10%	0.103	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-49.2	171.3	0	0	0	0	0	112.6	T296 G302 L303	T296-G298 PolarHBondContact O-N 3.42Å; G298-G302 PolarHBondContact O-N 3.44Å; G298-L303 PolarHBondContact O-N 3.37Å
299	R	89.1	Confident	92.1	Very high	133 Å²	133	22.5 Å²	22.5	50%	0.502	12%	0.123	S	C	.	.	H	α-helix	trans	-66.7	-50.8	176.8	-62.3	-173	-177	133.1	11	110.8	D140 T296 L301 G302 L469	D140-R299 IonicContact OD2-CZ 3.45Å; D140-R299 IonicContact OD2-NH1 3.86Å; D140-R299 PolarHBondContact OD2-NH1 2.77Å; D140-R299 IonicContact OD2-NH2 2.8Å; D140-R299 PolarHBondContact OD2-NH2 3.11Å; T296-R299 PolarHBondContact O-N 2.93Å; R299-L301 PolarHBondContact O-N 3.35Å; R299-L301 VanDerWaalsContact O-N 3.12Å; R299-G302 PolarHBondContact O-N 2.96Å; R299-L469 HydrophobicContact CB-CD2 3.83Å
300	W	91.6	Very high	92.3	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-21.9	-175.5	-56.4	-22.7	0	0	0	115.6	F127 L272 A273 L295 T296 P297 L468	F127-W300 HydrophobicContact CD1-CZ3 4.42Å; F127-W300 HydrophobicContact CE1-CE3 4.21Å; F127-W300 AromaticContact CE1-CZ3 3.74Å; F127-W300 HydrophobicContact CE1-CZ3 3.74Å; F127-W300 HydrophobicContact CZ-CE3 4.16Å; F127-W300 AromaticContact CZ-CZ3 3.86Å; F127-W300 HydrophobicContact CZ-CZ3 3.86Å; L272-W300 HydrophobicContact CB-CH2 3.74Å; L272-W300 HydrophobicContact CB-CZ2 4.08Å; A273-W300 HydrophobicContact CB-CD2 3.72Å; A273-W300 HydrophobicContact CB-CE3 3.92Å; A273-W300 HydrophobicContact CB-CG 4Å; A273-W300 HydrophobicContact CB-CZ2 4.45Å; A273-W300 HydrophobicContact CB-CZ3 4.35Å; L295-W300 HydrophobicContact CB-CH2 3.79Å; L295-W300 HydrophobicContact CB-CZ3 3.86Å; L295-W300 HydrophobicContact CD2-CH2 3.64Å; L295-W300 HydrophobicContact CD2-CZ3 3.97Å; L295-W300 HydrophobicContact CG-CH2 4.32Å; L295-W300 HydrophobicContact CG-CZ3 4.45Å; T296-W300 PolarHBondContact O-N 2.93Å; T296-W300 PolarHBondContact OG1-NE1 3.11Å; P297-W300 HydrophobicContact CB-CE3 4.45Å; W300-L468 WeakPolarHBondContact CA-O 3.38Å; W300-L468 HydrophobicContact CB-CD1 3.89Å; W300-L468 HydrophobicContact CB-CG 4.41Å; W300-L468 HydrophobicContact CG-CD1 4.23Å; W300-L468 HydrophobicContact CG-CG 4.35Å
301	L	90.4	Very high	92.3	Very high	3 Å²	3	17 Å²	17	2%	0.016	10%	0.102	C	C	.	.	H	α-helix	trans	-117.1	-2.1	-174.3	-57.9	174.4	0	0	0	113.4	P297 R299 L303 L346 I351 K354	P297-L301 HydrophobicContact CB-CD1 4.32Å; P297-L301 VanDerWaalsContact O-CB 3.27Å; P297-L301 WeakPolarHBondContact O-CB 3.5Å; P297-L301 WeakPolarHBondContact O-CG 3.47Å; P297-L301 PolarHBondContact O-N 2.83Å; P297-L301 VanDerWaalsContact O-N 3.12Å; R299-L301 PolarHBondContact O-N 3.35Å; R299-L301 VanDerWaalsContact O-N 3.12Å; L301-L303 HydrophobicContact CB-CD1 3.82Å; L301-L303 HydrophobicContact CB-CG 3.86Å; L301-L303 HydrophobicContact CD1-CD1 4.07Å; L301-L346 HydrophobicContact CB-CD1 4.34Å; L301-L346 HydrophobicContact CD1-CD1 4.05Å; L301-I351 HydrophobicContact CD1-CG1 4.14Å; L301-I351 HydrophobicContact CD2-CB 4.41Å; L301-I351 HydrophobicContact CD2-CG1 4.39Å; L301-I351 HydrophobicContact CD2-CG2 4.18Å; L301-K354 HydrophobicContact CB-CD 4.23Å; L301-K354 HydrophobicContact CD2-CB 4.21Å; L301-K354 HydrophobicContact CD2-CD 3.78Å; L301-K354 WeakPolarHBondContact O-CE 3.27Å; L301-K354 PolarHBondContact O-NZ 3.16Å
302	G	87.6	Confident	92.3	Very high	13 Å²	13	16.5 Å²	16.5	13%	0.134	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	42.6	-176.3	0	0	0	0	0	112.9	G298 R299	G298-G302 PolarHBondContact O-N 3.44Å; R299-G302 PolarHBondContact O-N 2.96Å
303	L	88.9	Confident	92	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.031	12%	0.123	C	C	.	.			trans	-109.2	108.2	-178	-54.6	170.1	0	0	0	110	Q86 G298 L301 V306 L346	Q86-L303 HydrophobicContact CB-CD2 4.33Å; Q86-L303 WeakPolarHBondContact O-CD2 3.35Å; G298-L303 PolarHBondContact O-N 3.37Å; L301-L303 HydrophobicContact CB-CD1 3.82Å; L301-L303 HydrophobicContact CB-CG 3.86Å; L301-L303 HydrophobicContact CD1-CD1 4.07Å; L303-V306 HydrophobicContact CB-CB 4.17Å; L303-V306 HydrophobicContact CB-CG2 3.59Å; L303-L346 HydrophobicContact CD1-CD1 4.42Å
304	P	84.8	Confident	91.1	Very high	43 Å²	43	28.4 Å²	28.4	28%	0.279	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	143.9	-173.9	29.8	-35	0	0	0	111.6	V83 G87 V306	V83-P304 HydrophobicContact CG1-CG 4.23Å; G87-P304 VanDerWaalsContact CA-CD 3.45Å; P304-V306 PolarHBondContact O-N 3.41Å
305	A	82.5	Confident	90.1	Very high	76 Å²	76	31.2 Å²	31.2	63%	0.628	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	17.8	178.9	0	0	0	0	0	115.8	H94	H94-A305 PolarHBondContact CE1-O 2.88Å; H94-A305 VanDerWaalsContact CE1-O 3.31Å; H94-A305 PolarHBondContact NE2-O 3.16Å
306	V	89.1	Confident	89.4	Confident	18 Å²	18	35.4 Å²	35.4	11%	0.109	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-82.1	132.4	177.7	177.9	0	0	0	0	110.9	A90 L303 P304 P338 L339	A90-V306 HydrophobicContact CB-CG2 3.5Å; L303-V306 HydrophobicContact CB-CB 4.17Å; L303-V306 HydrophobicContact CB-CG2 3.59Å; P304-V306 PolarHBondContact O-N 3.41Å; V306-P338 HydrophobicContact CG2-CB 4.37Å; V306-L339 HydrophobicContact CG1-CB 3.65Å; V306-L339 HydrophobicContact CG1-CD1 3.87Å; V306-L339 HydrophobicContact CG1-CG 4.19Å
307	T	90.1	Very high	89.1	Confident	6 Å²	6	38.3 Å²	38.3	4%	0.037	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-57.1	141.3	-179.5	55.7	0	0	0	0	113.3	H137 E138 R335	H137-T307 CarbonylContact O-C 3.58Å; H137-T307 VanDerWaalsContact O-CA 3.3Å; H137-T307 WeakPolarHBondContact O-CA 3.4Å; H137-T307 WeakPolarHBondContact O-CB 3.29Å; E138-T307 HydrophobicContact CG-CG2 4.26Å; T307-R335 HydrophobicContact CG2-CB 4.19Å; T307-R335 PolarHBondContact OG1-O 3.23Å
308	A	94.9	Very high	88.9	Confident	8 Å²	8	41.1 Å²	41.1	7%	0.066	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	158.3	160.3	0	0	0	0	0	110.5	H137 D140 T296	H137-A308 PolarHBondContact N-O 3.22Å; H137-A308 PolarHBondContact O-N 3.22Å; D140-A308 HydrophobicContact CB-CB 3.83Å; T296-A308 HydrophobicContact CG2-CB 4.18Å
309	V	96.7	Very high	88.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	119.2	-177	-172	0	0	0	0	110.7	L123 A134 Y135 F136 L295 L311 L339	L123-V309 HydrophobicContact CD1-CB 4.21Å; L123-V309 HydrophobicContact CD1-CG1 3.82Å; L123-V309 HydrophobicContact CD1-CG2 4.01Å; A134-V309 HydrophobicContact CB-CG1 3.83Å; Y135-V309 CarbonylContact O-C 3.45Å; Y135-V309 WeakPolarHBondContact O-CA 3.42Å; F136-V309 HydrophobicContact CD1-CG1 4.31Å; F136-V309 HydrophobicContact CD1-CG2 3.54Å; F136-V309 HydrophobicContact CE1-CG1 4.13Å; F136-V309 HydrophobicContact CE1-CG2 3.67Å; F136-V309 HydrophobicContact CE2-CG1 4.46Å; F136-V309 HydrophobicContact CG-CG2 4.32Å; F136-V309 HydrophobicContact CZ-CG1 4.2Å; L295-V309 WeakPolarHBondContact CB-O 3.34Å; L295-V309 PolarHBondContact N-O 2.95Å; L295-V309 PolarHBondContact O-N 3.42Å; V309-L311 HydrophobicContact CG1-CD2 4.17Å; V309-L339 HydrophobicContact CG2-CD2 3.55Å
310	T	97.2	Very high	89	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115	167.9	-63	0	0	0	0	109	Y135 G143 V147 M293 T294	Y135-T310 PolarHBondContact N-O 3.05Å; Y135-T310 PolarHBondContact O-N 2.81Å; G143-T310 WeakPolarHBondContact CA-OG1 3.18Å; V147-T310 HydrophobicContact CG2-CG2 3.7Å; M293-T310 CarbonylContact O-C 3.6Å; M293-T310 WeakPolarHBondContact O-CA 3.45Å; T294-T310 PolarHBondContact OG1-OG1 2.83Å
311	L	96.8	Very high	88.9	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	137.9	163.8	-58.9	-173.2	0	0	0	108.6	L123 Y129 S133 A134 S292 M293 L295 V309	L123-L311 HydrophobicContact CB-CD2 4.29Å; Y129-L311 HydrophobicContact CD1-CB 3.77Å; Y129-L311 HydrophobicContact CD1-CD1 3.95Å; Y129-L311 HydrophobicContact CD1-CG 4.47Å; Y129-L311 HydrophobicContact CE1-CB 3.97Å; Y129-L311 HydrophobicContact CG-CB 4.4Å; Y129-L311 HydrophobicContact CG-CD1 4.04Å; S133-L311 CarbonylContact O-C 3.58Å; S133-L311 WeakPolarHBondContact O-CA 3.39Å; A134-L311 HydrophobicContact CB-CD2 3.66Å; S292-L311 CarbonylContact C-O 3.6Å; S292-L311 WeakPolarHBondContact CA-O 3.34Å; S292-L311 WeakPolarHBondContact CB-O 3.47Å; M293-L311 HydrophobicContact CG-CB 3.99Å; M293-L311 PolarHBondContact N-O 3.27Å; M293-L311 PolarHBondContact O-N 3.46Å; M293-L311 HydrophobicContact SD-CD1 4.43Å; L295-L311 HydrophobicContact CD1-CD1 3.72Å; L295-L311 HydrophobicContact CD1-CG 3.85Å; L295-L311 HydrophobicContact CG-CG 4.44Å; V309-L311 HydrophobicContact CG1-CD2 4.17Å
312	Y	95.8	Very high	88.9	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.1	176	62	-81.2	0	0	0	110.2	G132 S133 L150 L325 T326	G132-Y312 CarbonylContact C-O 3.52Å; G132-Y312 WeakPolarHBondContact CA-O 3.47Å; S133-Y312 VanDerWaalsContact CB-CZ 3.5Å; S133-Y312 PolarHBondContact N-O 3Å; S133-Y312 VanDerWaalsContact O-CD1 3.25Å; S133-Y312 WeakPolarHBondContact O-CD1 3.04Å; S133-Y312 PolarHBondContact O-N 2.83Å; L150-Y312 HydrophobicContact CD2-CD2 4.17Å; Y312-L325 HydrophobicContact CD1-CD1 4.28Å; Y312-L325 HydrophobicContact CD1-CD2 3.98Å; Y312-L325 HydrophobicContact CD2-CD1 3.88Å; Y312-L325 HydrophobicContact CE1-CB 3.98Å; Y312-L325 HydrophobicContact CE1-CD1 4.24Å; Y312-L325 HydrophobicContact CE1-CD2 3.91Å; Y312-L325 HydrophobicContact CE1-CG 4.27Å; Y312-L325 HydrophobicContact CE2-CB 4.25Å; Y312-L325 HydrophobicContact CE2-CD1 3.84Å; Y312-L325 HydrophobicContact CG-CD1 4.11Å; Y312-L325 PolarHBondContact OH-O 2.93Å; Y312-T326 WeakPolarHBondContact OH-CG2 3.45Å
313	R	90.5	Very high	89.1	Confident	131 Å²	131	43.2 Å²	43.2	49%	0.494	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	139.6	175.8	-170.1	175.8	-171.4	156.9	2	110.2	Y129 D291 E315	Y129-R313 PolarHBondContact OH-N 2.9Å; D291-R313 WeakPolarHBondContact O-CB 3.3Å; D291-R313 PolarHBondContact O-N 3.22Å; D291-R313 IonicContact OD1-NH1 3.04Å; D291-R313 PolarHBondContact OD1-NH1 3.43Å; R313-E315 PolarHBondContact O-N 3.48Å
314	H	78.3	Confident	89.2	Confident	118 Å²	118	44.3 Å²	44.3	55%	0.546	26%	0.263	S	S	.	.			trans	-69.1	92.2	-179.2	-166.2	75	0	0	0	112	N131 S133	N131-H314 WeakPolarHBondContact O-CB 3.37Å; N131-H314 PolarHBondContact O-N 3.06Å; S133-H314 PolarHBondContact OG-ND1 3.12Å
315	E	73.8	Confident	89.5	Confident	65 Å²	65	42.4 Å²	42.4	30%	0.304	25%	0.251	S	S	.	.			trans	-80.3	177.9	168	-81.7	-62.7	159.9	0	0	112	L150 W264 R313 P317	L150-E315 HydrophobicContact CD1-CB 4.13Å; L150-E315 HydrophobicContact CD1-CG 4.41Å; L150-E315 HydrophobicContact CD2-CB 4.16Å; L150-E315 HydrophobicContact CD2-CG 4Å; L150-E315 HydrophobicContact CG-CG 4.43Å; W264-E315 HydrophobicContact CH2-CG 3.96Å; W264-E315 HydrophobicContact CZ3-CG 4.06Å; R313-E315 PolarHBondContact O-N 3.48Å; E315-P317 WeakPolarHBondContact O-CD 3.34Å
316	D	82.8	Confident	89.8	Confident	87 Å²	87	41.3 Å²	41.3	47%	0.465	24%	0.236	S	C	.	.			trans	-49.9	125.2	172.7	-173.5	-23.8	0	0	0	110.9	A318 L319 S320	D316-A318 PolarHBondContact O-N 3.43Å; D316-A318 VanDerWaalsContact O-N 3.14Å; D316-A318 VanDerWaalsContact OD1-CB 3.32Å; D316-A318 WeakPolarHBondContact OD1-CB 3.44Å; D316-A318 PolarHBondContact OD1-N 2.66Å; D316-L319 HydrophobicContact CB-CB 4.28Å; D316-L319 HydrophobicContact CB-CD1 3.98Å; D316-L319 HydrophobicContact CB-CG 3.93Å; D316-L319 PolarHBondContact O-N 3.41Å; D316-L319 VanDerWaalsContact O-N 3.08Å; D316-S320 PolarHBondContact O-N 3.22Å; D316-S320 PolarHBondContact O-OG 3.18Å
317	P	86.8	Confident	89.6	Confident	79 Å²	79	41.7 Å²	41.7	51%	0.513	24%	0.239	S	C	.	.	H	α-helix	trans	-53.5	-28.8	174.3	-28.9	36.6	0	0	0	114.5	E315 L321	E315-P317 WeakPolarHBondContact O-CD 3.34Å; P317-L321 VanDerWaalsContact O-CB 3.31Å; P317-L321 WeakPolarHBondContact O-CB 3.4Å; P317-L321 PolarHBondContact O-N 2.84Å
318	A	88.3	Confident	89.2	Confident	61 Å²	61	46.1 Å²	46.1	50%	0.504	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-45.3	175	0	0	0	0	0	112.1	D316 S320 L321 A322	D316-A318 PolarHBondContact O-N 3.43Å; D316-A318 VanDerWaalsContact O-N 3.14Å; D316-A318 VanDerWaalsContact OD1-CB 3.32Å; D316-A318 WeakPolarHBondContact OD1-CB 3.44Å; D316-A318 PolarHBondContact OD1-N 2.66Å; A318-S320 VanDerWaalsContact C-N 3.33Å; A318-L321 PolarHBondContact O-N 3.31Å; A318-A322 WeakPolarHBondContact O-CB 3.36Å; A318-A322 PolarHBondContact O-N 2.71Å
319	L	90	Very high	88.9	Confident	44 Å²	44	50.9 Å²	50.9	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-38.6	174.7	-60	177	0	0	0	110.9	L150 N153 A154 D316 A322 A323	L150-L319 HydrophobicContact CD1-CB 3.74Å; N153-L319 HydrophobicContact CB-CD2 4.08Å; A154-L319 HydrophobicContact CB-CD1 4.24Å; D316-L319 HydrophobicContact CB-CB 4.28Å; D316-L319 HydrophobicContact CB-CD1 3.98Å; D316-L319 HydrophobicContact CB-CG 3.93Å; D316-L319 PolarHBondContact O-N 3.41Å; D316-L319 VanDerWaalsContact O-N 3.08Å; L319-A322 PolarHBondContact O-N 2.87Å; L319-A323 VanDerWaalsContact O-CB 3.29Å; L319-A323 WeakPolarHBondContact O-CB 3.35Å; L319-A323 PolarHBondContact O-N 2.65Å
320	S	91.7	Very high	88.4	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-34.7	175.8	-57	0	0	0	0	112.8	D316 A318 G324 L325 T326	D316-S320 PolarHBondContact O-N 3.22Å; D316-S320 PolarHBondContact O-OG 3.18Å; A318-S320 VanDerWaalsContact C-N 3.33Å; S320-G324 PolarHBondContact O-N 3.18Å; S320-L325 WeakPolarHBondContact O-CB 3.22Å; S320-L325 PolarHBondContact O-N 2.71Å; S320-T326 PolarHBondContact O-N 3.43Å
321	L	90.7	Very high	88	Confident	97 Å²	97	55 Å²	55	51%	0.508	32%	0.317	S	S	.	.	H	α-helix	trans	-69.6	-47.3	170.9	-172.4	78.5	0	0	0	111.1	P317 A318 A323 G324 T326	P317-L321 VanDerWaalsContact O-CB 3.31Å; P317-L321 WeakPolarHBondContact O-CB 3.4Å; P317-L321 PolarHBondContact O-N 2.84Å; A318-L321 PolarHBondContact O-N 3.31Å; L321-A323 VanDerWaalsContact C-N 3.28Å; L321-A323 PolarHBondContact O-N 2.79Å; L321-G324 PolarHBondContact O-N 3.49Å; L321-T326 WeakPolarHBondContact CA-OG1 3.38Å
322	A	89.4	Confident	87.6	Confident	60 Å²	60	58.5 Å²	58.5	50%	0.496	33%	0.334	S	S	.	.	H	α-helix	trans	-63.9	-30.6	179.3	0	0	0	0	0	113.1	A318 L319 G324	A318-A322 WeakPolarHBondContact O-CB 3.36Å; A318-A322 PolarHBondContact O-N 2.71Å; L319-A322 PolarHBondContact O-N 2.87Å; A322-G324 VanDerWaalsContact C-N 3.31Å
323	A	91.6	Very high	87.3	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.008	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.2	173.3	0	0	0	0	0	113.6	R149 L150 N153 L319 L321 L325	R149-A323 HydrophobicContact CB-CB 4.16Å; L150-A323 HydrophobicContact CB-CB 3.82Å; L150-A323 HydrophobicContact CD1-CB 4.4Å; N153-A323 PolarHBondContact ND2-N 2.7Å; L319-A323 VanDerWaalsContact O-CB 3.29Å; L319-A323 WeakPolarHBondContact O-CB 3.35Å; L319-A323 PolarHBondContact O-N 2.65Å; L321-A323 VanDerWaalsContact C-N 3.28Å; L321-A323 PolarHBondContact O-N 2.79Å; A323-L325 HydrophobicContact CB-CD1 4.23Å; A323-L325 HydrophobicContact CB-CG 4.28Å
324	G	91.4	Very high	87.4	Confident	29 Å²	29	55 Å²	55	30%	0.299	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	11	-171.8	0	0	0	0	0	114.8	Y135 S320 L321 A322 T326	Y135-G324 VanDerWaalsContact CE2-O 3.23Å; Y135-G324 WeakPolarHBondContact CE2-O 3.34Å; S320-G324 PolarHBondContact O-N 3.18Å; L321-G324 PolarHBondContact O-N 3.49Å; A322-G324 VanDerWaalsContact C-N 3.31Å; G324-T326 VanDerWaalsContact C-N 3.27Å
325	L	90.7	Very high	88	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	31%	0.311	C	S	.	.	S	Bend	trans	-74.2	-15.8	174.3	-73.2	167.1	0	0	0	113.1	Y135 K146 V147 L150 Y312 S320 A323	Y135-L325 HydrophobicContact CD1-CD2 4.29Å; Y135-L325 VanDerWaalsContact CD2-O 3.3Å; Y135-L325 WeakPolarHBondContact CD2-O 3.39Å; Y135-L325 HydrophobicContact CG-CD2 3.99Å; K146-L325 HydrophobicContact CB-CD2 3.44Å; K146-L325 VanDerWaalsContact CB-CD2 3.44Å; K146-L325 HydrophobicContact CB-CG 3.64Å; K146-L325 HydrophobicContact CG-CD2 4.24Å; V147-L325 HydrophobicContact CG2-CD2 4.34Å; L150-L325 HydrophobicContact CB-CD1 3.85Å; L150-L325 HydrophobicContact CD2-CD1 3.57Å; L150-L325 HydrophobicContact CG-CD1 4.2Å; Y312-L325 HydrophobicContact CD1-CD1 4.28Å; Y312-L325 HydrophobicContact CD1-CD2 3.98Å; Y312-L325 HydrophobicContact CD2-CD1 3.88Å; Y312-L325 HydrophobicContact CE1-CB 3.98Å; Y312-L325 HydrophobicContact CE1-CD1 4.24Å; Y312-L325 HydrophobicContact CE1-CD2 3.91Å; Y312-L325 HydrophobicContact CE1-CG 4.27Å; Y312-L325 HydrophobicContact CE2-CB 4.25Å; Y312-L325 HydrophobicContact CE2-CD1 3.84Å; Y312-L325 HydrophobicContact CG-CD1 4.11Å; Y312-L325 PolarHBondContact OH-O 2.93Å; S320-L325 WeakPolarHBondContact O-CB 3.22Å; S320-L325 PolarHBondContact O-N 2.71Å; A323-L325 HydrophobicContact CB-CD1 4.23Å; A323-L325 HydrophobicContact CB-CG 4.28Å
326	T	88.7	Confident	89	Confident	54 Å²	54	50.3 Å²	50.3	33%	0.331	30%	0.297	S	S	.	.	S	Bend	trans	-130.7	145.8	171.4	70	0	0	0	0	110.4	Y312 S320 L321 G324	Y312-T326 WeakPolarHBondContact OH-CG2 3.45Å; S320-T326 PolarHBondContact O-N 3.43Å; L321-T326 WeakPolarHBondContact CA-OG1 3.38Å; G324-T326 VanDerWaalsContact C-N 3.27Å
327	S	85	Confident	89.6	Confident	25 Å²	25	46.4 Å²	46.4	18%	0.175	28%	0.276	C	S	.	.			trans	-112.5	145	179.4	-174	0	0	0	0	112.6	Q329 E332 K333	S327-Q329 PolarHBondContact OG-N 2.76Å; S327-E332 WeakPolarHBondContact CB-OE2 3.43Å; S327-E332 VanDerWaalsContact OG-CD 3.28Å; S327-E332 PolarHBondContact OG-OE2 3.18Å; S327-K333 WeakPolarHBondContact O-CE 3.35Å; S327-K333 PolarHBondContact O-NZ 3.16Å
328	S	82.9	Confident	89.9	Confident	99 Å²	99	42.8 Å²	42.8	69%	0.692	25%	0.252	S	S	*	.	S	Bend	trans	-81.3	-17	166.8	64.4	0	0	0	0	112.4	P330	S328-P330 WeakPolarHBondContact O-CD 3.47Å
329	Q	87.8	Confident	90.2	Very high	108 Å²	108	39.9 Å²	39.9	51%	0.505	23%	0.228	S	C	.	.			trans	-82.6	124.8	178.9	-52.9	-148.3	65.2	0	0	110.5	S327 E332	S327-Q329 PolarHBondContact OG-N 2.76Å; Q329-E332 HydrophobicContact CB-CB 4.5Å; Q329-E332 HydrophobicContact CB-CG 4.1Å; Q329-E332 VanDerWaalsContact CD-OE1 3.28Å; Q329-E332 WeakPolarHBondContact CG-OE1 3.4Å; Q329-E332 PolarHBondContact NE2-OE1 3.24Å
330	P	86.6	Confident	90.5	Very high	16 Å²	16	40.8 Å²	40.8	10%	0.104	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-33.6	176.3	-24.7	36.4	0	0	0	113.6	L108 R109 T112 S328 E332 K333	L108-P330 HydrophobicContact CD2-CB 3.84Å; L108-P330 HydrophobicContact CG-CB 3.74Å; R109-P330 HydrophobicContact CB-CG 4.33Å; T112-P330 VanDerWaalsContact CG2-O 3.26Å; T112-P330 WeakPolarHBondContact CG2-O 3.47Å; S328-P330 WeakPolarHBondContact O-CD 3.47Å; P330-E332 PolarHBondContact O-N 3.15Å; P330-K333 WeakPolarHBondContact O-CB 3.31Å; P330-K333 PolarHBondContact O-N 3.08Å; P330-K333 VanDerWaalsContact O-N 3.16Å
331	V	89.4	Confident	90.6	Very high	71 Å²	71	42 Å²	42	43%	0.43	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-63	-43	-176.3	-179.4	0	0	0	0	111.7	L108 K333 L334	L108-V331 HydrophobicContact CD2-CG2 3.92Å; V331-K333 PolarHBondContact O-N 2.79Å; V331-K333 VanDerWaalsContact O-N 3.11Å; V331-L334 HydrophobicContact CG1-CD1 4.47Å; V331-L334 VanDerWaalsContact O-CB 3.25Å; V331-L334 WeakPolarHBondContact O-CB 3.33Å; V331-L334 WeakPolarHBondContact O-CG 3.42Å; V331-L334 PolarHBondContact O-N 3.19Å
332	E	86.9	Confident	90.7	Very high	74 Å²	74	37.4 Å²	37.4	35%	0.346	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-59.5	-25.4	178	-67.6	171.3	-155.7	0	0	112.9	S327 Q329 P330 L334 R335	S327-E332 WeakPolarHBondContact CB-OE2 3.43Å; S327-E332 VanDerWaalsContact OG-CD 3.28Å; S327-E332 PolarHBondContact OG-OE2 3.18Å; Q329-E332 HydrophobicContact CB-CB 4.5Å; Q329-E332 HydrophobicContact CB-CG 4.1Å; Q329-E332 VanDerWaalsContact CD-OE1 3.28Å; Q329-E332 WeakPolarHBondContact CG-OE1 3.4Å; Q329-E332 PolarHBondContact NE2-OE1 3.24Å; P330-E332 PolarHBondContact O-N 3.15Å; E332-L334 VanDerWaalsContact C-N 3.25Å; E332-L334 PolarHBondContact O-N 3.23Å; E332-R335 WeakPolarHBondContact O-CB 3.29Å; E332-R335 WeakPolarHBondContact O-CG 3.23Å; E332-R335 PolarHBondContact O-N 2.88Å
333	K	89.9	Confident	90.9	Very high	54 Å²	54	34.8 Å²	34.8	24%	0.235	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-77	-9.3	177.1	-61.4	178.2	-178.5	-175.9	0	113.2	T112 L116 S327 P330 V331 R335	T112-K333 HydrophobicContact CG2-CB 4.4Å; L116-K333 HydrophobicContact CD2-CD 3.96Å; L116-K333 HydrophobicContact CD2-CG 4.15Å; S327-K333 WeakPolarHBondContact O-CE 3.35Å; S327-K333 PolarHBondContact O-NZ 3.16Å; P330-K333 WeakPolarHBondContact O-CB 3.31Å; P330-K333 PolarHBondContact O-N 3.08Å; P330-K333 VanDerWaalsContact O-N 3.16Å; V331-K333 PolarHBondContact O-N 2.79Å; V331-K333 VanDerWaalsContact O-N 3.11Å; K333-R335 PolarHBondContact O-N 2.84Å
334	L	92.1	Very high	90.9	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.042	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-72.1	-12.7	170.8	-63	171.5	0	0	0	112.8	A97 I100 L108 T112 V331 E332 A336 L337	A97-L334 HydrophobicContact CB-CB 4.09Å; A97-L334 WeakPolarHBondContact O-CD1 3.37Å; I100-L334 HydrophobicContact CB-CD1 4.47Å; I100-L334 HydrophobicContact CB-CD2 4.34Å; I100-L334 HydrophobicContact CG2-CD1 4.1Å; I100-L334 HydrophobicContact CG2-CD2 3.54Å; I100-L334 HydrophobicContact CG2-CG 4.49Å; L108-L334 HydrophobicContact CD1-CD1 4.02Å; L108-L334 HydrophobicContact CD1-CD2 4.19Å; L108-L334 HydrophobicContact CD1-CG 4.33Å; T112-L334 HydrophobicContact CG2-CD2 3.56Å; T112-L334 HydrophobicContact CG2-CG 3.9Å; V331-L334 HydrophobicContact CG1-CD1 4.47Å; V331-L334 VanDerWaalsContact O-CB 3.25Å; V331-L334 WeakPolarHBondContact O-CB 3.33Å; V331-L334 WeakPolarHBondContact O-CG 3.42Å; V331-L334 PolarHBondContact O-N 3.19Å; E332-L334 VanDerWaalsContact C-N 3.25Å; E332-L334 PolarHBondContact O-N 3.23Å; L334-A336 PolarHBondContact O-N 3.27Å; L334-A336 VanDerWaalsContact O-N 3.14Å; L334-L337 VanDerWaalsContact O-CB 3.24Å; L334-L337 WeakPolarHBondContact O-CB 3.46Å; L334-L337 PolarHBondContact O-N 2.8Å
335	R	91.7	Very high	91	Very high	83 Å²	83	41.9 Å²	41.9	31%	0.313	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-52.6	-30.2	169.4	-78.2	179	169.7	139.4	-1.1	113.6	F136 E138 T307 E332 K333 L337 P338	F136-R335 HydrophobicContact CB-CB 4.09Å; F136-R335 WeakPolarHBondContact O-CD 3.45Å; E138-R335 IonicContact OE1-CZ 3.81Å; E138-R335 IonicContact OE1-NE 2.62Å; E138-R335 PolarHBondContact OE1-NE 2.79Å; E138-R335 IonicContact OE1-NH2 2.62Å; E138-R335 PolarHBondContact OE1-NH2 2.87Å; T307-R335 HydrophobicContact CG2-CB 4.19Å; T307-R335 PolarHBondContact OG1-O 3.23Å; E332-R335 WeakPolarHBondContact O-CB 3.29Å; E332-R335 WeakPolarHBondContact O-CG 3.23Å; E332-R335 PolarHBondContact O-N 2.88Å; K333-R335 PolarHBondContact O-N 2.84Å; R335-L337 VanDerWaalsContact C-N 3.33Å; R335-P338 WeakPolarHBondContact O-CD 3.45Å
336	A	94.4	Very high	91	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-75.3	-16.3	175.8	0	0	0	0	0	114	I115 L116 F136 L334 L339 W340	I115-A336 HydrophobicContact CG2-CB 4.29Å; L116-A336 HydrophobicContact CD1-CB 4.1Å; F136-A336 HydrophobicContact CD1-CB 3.78Å; F136-A336 HydrophobicContact CD2-CB 4.23Å; F136-A336 HydrophobicContact CE1-CB 3.71Å; F136-A336 HydrophobicContact CE2-CB 4.19Å; F136-A336 HydrophobicContact CG-CB 4.06Å; F136-A336 HydrophobicContact CZ-CB 3.94Å; L334-A336 PolarHBondContact O-N 3.27Å; L334-A336 VanDerWaalsContact O-N 3.14Å; A336-L339 PolarHBondContact O-N 2.86Å; A336-W340 VanDerWaalsContact O-CB 3.28Å; A336-W340 WeakPolarHBondContact O-CB 3.38Å; A336-W340 PolarHBondContact O-N 3.1Å
337	L	94.8	Very high	91.2	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-44.1	-172.2	177.4	63.5	0	0	0	114.5	L96 A97 I100 I115 L334 R335 L339 W340 L341	L96-L337 HydrophobicContact CB-CD2 4.09Å; A97-L337 HydrophobicContact CB-CD2 4.09Å; I100-L337 HydrophobicContact CD1-CD2 3.7Å; I115-L337 HydrophobicContact CD1-CD1 4.01Å; L334-L337 VanDerWaalsContact O-CB 3.24Å; L334-L337 WeakPolarHBondContact O-CB 3.46Å; L334-L337 PolarHBondContact O-N 2.8Å; R335-L337 VanDerWaalsContact C-N 3.33Å; L337-L339 PolarHBondContact O-N 2.69Å; L337-W340 HydrophobicContact CD1-CE3 3.84Å; L337-W340 HydrophobicContact CD1-CZ3 4.38Å; L337-W340 PolarHBondContact O-N 3.2Å; L337-L341 HydrophobicContact CD1-CD1 3.8Å; L337-L341 HydrophobicContact CD1-CG 3.92Å; L337-L341 HydrophobicContact CG-CD1 4.04Å; L337-L341 PolarHBondContact O-N 2.66Å
338	P	94	Very high	91.5	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.019	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-47.7	175.3	-22.6	32.8	0	0	0	111.9	V306 R335 L341 S342	V306-P338 HydrophobicContact CG2-CB 4.37Å; R335-P338 WeakPolarHBondContact O-CD 3.45Å; P338-L341 PolarHBondContact O-N 2.9Å; P338-S342 PolarHBondContact O-N 2.85Å; P338-S342 VanDerWaalsContact O-N 3.11Å; P338-S342 PolarHBondContact O-OG 3.42Å
339	L	94.8	Very high	92	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-44.9	176.5	-177.2	52.9	0	0	0	111.4	T119 L123 F136 P297 V306 V309 A336 L337 L341 S342 L343	T119-L339 HydrophobicContact CG2-CG 4.5Å; L123-L339 HydrophobicContact CD1-CD2 4.12Å; F136-L339 HydrophobicContact CD1-CD2 4.49Å; F136-L339 HydrophobicContact CE1-CD2 4.12Å; P297-L339 HydrophobicContact CB-CD1 4.11Å; P297-L339 HydrophobicContact CG-CD1 3.94Å; P297-L339 HydrophobicContact CG-CD2 3.77Å; V306-L339 HydrophobicContact CG1-CB 3.65Å; V306-L339 HydrophobicContact CG1-CD1 3.87Å; V306-L339 HydrophobicContact CG1-CG 4.19Å; V309-L339 HydrophobicContact CG2-CD2 3.55Å; A336-L339 PolarHBondContact O-N 2.86Å; L337-L339 PolarHBondContact O-N 2.69Å; L339-L341 PolarHBondContact O-N 3.19Å; L339-S342 PolarHBondContact O-N 3.45Å; L339-L343 HydrophobicContact CD1-CD1 4.1Å; L339-L343 HydrophobicContact CD1-CD2 4.2Å; L339-L343 HydrophobicContact CD1-CG 3.85Å; L339-L343 HydrophobicContact CG-CD1 3.9Å; L339-L343 HydrophobicContact CG-CG 4.14Å; L339-L343 WeakPolarHBondContact O-CB 3.38Å; L339-L343 VanDerWaalsContact O-CG 3.23Å; L339-L343 WeakPolarHBondContact O-CG 3.14Å; L339-L343 PolarHBondContact O-N 3.36Å
340	W	95.7	Very high	92.2	Very high	63 Å²	63	41.4 Å²	41.4	24%	0.239	21%	0.205	C	C	.	.	H	α-helix	trans	-57.3	-46.6	178.6	-176.6	73.6	0	0	0	112.3	I115 D118 T119 A336 L337 L343 Q344	I115-W340 HydrophobicContact CG1-CD2 4.46Å; I115-W340 HydrophobicContact CG1-CE3 4.45Å; I115-W340 HydrophobicContact CG2-CB 3.87Å; I115-W340 HydrophobicContact CG2-CD2 4.22Å; I115-W340 HydrophobicContact CG2-CG 3.88Å; D118-W340 PolarHBondContact OD2-NE1 2.78Å; T119-W340 WeakPolarHBondContact OG1-CB 3.46Å; A336-W340 VanDerWaalsContact O-CB 3.28Å; A336-W340 WeakPolarHBondContact O-CB 3.38Å; A336-W340 PolarHBondContact O-N 3.1Å; L337-W340 HydrophobicContact CD1-CE3 3.84Å; L337-W340 HydrophobicContact CD1-CZ3 4.38Å; L337-W340 PolarHBondContact O-N 3.2Å; W340-L343 PolarHBondContact O-N 3.28Å; W340-Q344 HydrophobicContact CD2-CG 4.18Å; W340-Q344 HydrophobicContact CZ2-CG 4.12Å; W340-Q344 WeakPolarHBondContact O-CB 3.48Å; W340-Q344 WeakPolarHBondContact O-CG 3.25Å; W340-Q344 PolarHBondContact O-N 3.33Å
341	L	94.1	Very high	92.5	Very high	29 Å²	29	40.8 Å²	40.8	15%	0.152	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-42.5	178.3	-74.1	167.9	0	0	0	112.3	M89 G93 L96 L337 P338 L339 Q344 Y345	M89-L341 HydrophobicContact CE-CB 4.19Å; G93-L341 VanDerWaalsContact CA-CD1 3.47Å; L96-L341 HydrophobicContact CD1-CD1 3.95Å; L337-L341 HydrophobicContact CD1-CD1 3.8Å; L337-L341 HydrophobicContact CD1-CG 3.92Å; L337-L341 HydrophobicContact CG-CD1 4.04Å; L337-L341 PolarHBondContact O-N 2.66Å; P338-L341 PolarHBondContact O-N 2.9Å; L339-L341 PolarHBondContact O-N 3.19Å; L341-Q344 PolarHBondContact O-N 2.87Å; L341-Y345 WeakPolarHBondContact O-CB 3.35Å; L341-Y345 PolarHBondContact O-N 2.69Å
342	S	92.9	Very high	92.7	Very high	1 Å²	1	38 Å²	38	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-37.7	175.1	-63.5	0	0	0	0	112.7	P338 L339 Y345 L346	P338-S342 PolarHBondContact O-N 2.85Å; P338-S342 VanDerWaalsContact O-N 3.11Å; P338-S342 PolarHBondContact O-OG 3.42Å; L339-S342 PolarHBondContact O-N 3.45Å; S342-Y345 PolarHBondContact O-N 3.4Å; S342-L346 WeakPolarHBondContact O-CB 3.43Å; S342-L346 VanDerWaalsContact O-CG 3.29Å; S342-L346 WeakPolarHBondContact O-CG 3.39Å; S342-L346 PolarHBondContact O-N 3.01Å
343	L	93.2	Very high	93	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-42.1	173.8	-70.6	174.5	0	0	0	111.7	T119 W122 L123 L339 W340 G347 I351	T119-L343 HydrophobicContact CG2-CD1 4.05Å; W122-L343 HydrophobicContact CE3-CB 4.17Å; W122-L343 HydrophobicContact CZ3-CB 4.36Å; W122-L343 WeakPolarHBondContact CZ3-O 3.19Å; L123-L343 HydrophobicContact CD2-CD1 4.16Å; L123-L343 HydrophobicContact CG-CD1 4.38Å; L339-L343 HydrophobicContact CD1-CD1 4.1Å; L339-L343 HydrophobicContact CD1-CD2 4.2Å; L339-L343 HydrophobicContact CD1-CG 3.85Å; L339-L343 HydrophobicContact CG-CD1 3.9Å; L339-L343 HydrophobicContact CG-CG 4.14Å; L339-L343 WeakPolarHBondContact O-CB 3.38Å; L339-L343 VanDerWaalsContact O-CG 3.23Å; L339-L343 WeakPolarHBondContact O-CG 3.14Å; L339-L343 PolarHBondContact O-N 3.36Å; W340-L343 PolarHBondContact O-N 3.28Å; L343-G347 WeakPolarHBondContact O-CA 3.49Å; L343-G347 PolarHBondContact O-N 3.32Å; L343-I351 HydrophobicContact CD2-CD1 3.39Å; L343-I351 HydrophobicContact CD2-CG1 4.39Å
344	Q	92.6	Very high	93	Very high	80 Å²	80	40 Å²	40	37%	0.374	19%	0.194	S	C	.	.	H	α-helix	trans	-66.1	-37.4	176.7	-67.9	-72.6	-14.1	0	0	112.1	D118 W122 W340 L341	D118-Q344 PolarHBondContact OD2-NE2 3.4Å; D118-Q344 VanDerWaalsContact OD2-NE2 3.11Å; W122-Q344 VanDerWaalsContact CZ2-NE2 3.33Å; W340-Q344 HydrophobicContact CD2-CG 4.18Å; W340-Q344 HydrophobicContact CZ2-CG 4.12Å; W340-Q344 WeakPolarHBondContact O-CB 3.48Å; W340-Q344 WeakPolarHBondContact O-CG 3.25Å; W340-Q344 PolarHBondContact O-N 3.33Å; L341-Q344 PolarHBondContact O-N 2.87Å
345	Y	91.9	Very high	93.1	Very high	100 Å²	100	39.8 Å²	39.8	39%	0.392	19%	0.192	S	C	.	.	H	α-helix	trans	-70.6	-47	176.5	171.6	-84.3	0	0	0	112.6	E85 Q86 M89 L341 S342	E85-Y345 PolarHBondContact OE2-OH 2.62Å; Q86-Y345 HydrophobicContact CB-CE1 4.16Å; Q86-Y345 HydrophobicContact CG-CE1 3.84Å; M89-Y345 HydrophobicContact CG-CD1 4.26Å; M89-Y345 HydrophobicContact CG-CD2 3.71Å; M89-Y345 HydrophobicContact CG-CE2 4.25Å; M89-Y345 HydrophobicContact CG-CG 3.72Å; M89-Y345 HydrophobicContact SD-CD2 4.04Å; M89-Y345 HydrophobicContact SD-CG 4.49Å; L341-Y345 WeakPolarHBondContact O-CB 3.35Å; L341-Y345 PolarHBondContact O-N 2.69Å; S342-Y345 PolarHBondContact O-N 3.4Å
346	L	91.4	Very high	93.1	Very high	20 Å²	20	42 Å²	42	11%	0.105	20%	0.2	C	C	.	.	H	α-helix	trans	-72.1	-33.7	179.5	-68	173.3	0	0	0	112.5	Q86 L301 L303 S342 G350 I351	Q86-L346 HydrophobicContact CG-CD2 4.48Å; L301-L346 HydrophobicContact CB-CD1 4.34Å; L301-L346 HydrophobicContact CD1-CD1 4.05Å; L303-L346 HydrophobicContact CD1-CD1 4.42Å; S342-L346 WeakPolarHBondContact O-CB 3.43Å; S342-L346 VanDerWaalsContact O-CG 3.29Å; S342-L346 WeakPolarHBondContact O-CG 3.39Å; S342-L346 PolarHBondContact O-N 3.01Å; L346-G350 WeakPolarHBondContact O-CA 3.33Å; L346-G350 PolarHBondContact O-N 2.76Å; L346-G350 VanDerWaalsContact O-N 3.12Å; L346-I351 HydrophobicContact CB-CG1 4.11Å; L346-I351 HydrophobicContact CD1-CG1 4.26Å
347	G	92.6	Very high	93	Very high	20 Å²	20	44.8 Å²	44.8	21%	0.206	21%	0.214	C	C	.	.	H	α-helix	trans	60.7	175.9	-167.6	0	0	0	0	0	113.2	L343 N349 G350 I351	L343-G347 WeakPolarHBondContact O-CA 3.49Å; L343-G347 PolarHBondContact O-N 3.32Å; G347-N349 VanDerWaalsContact C-N 3.28Å; G347-N349 PolarHBondContact O-N 3.4Å; G347-G350 PolarHBondContact O-N 3.26Å; G347-I351 VanDerWaalsContact O-CD1 3.29Å; G347-I351 WeakPolarHBondContact O-CD1 3.42Å; G347-I351 VanDerWaalsContact O-CG1 3.28Å; G347-I351 WeakPolarHBondContact O-CG1 3.3Å; G347-I351 PolarHBondContact O-N 3.41Å
348	H	91.9	Very high	92.9	Very high	95 Å²	95	44.8 Å²	44.8	44%	0.44	21%	0.214	S	C	.	.	H	α-helix	trans	-57.5	-42.3	174.9	176.9	61.5	0	0	0	111.9	G350 I351 V352	H348-G350 PolarHBondContact O-N 2.9Å; H348-I351 PolarHBondContact O-N 3.34Å; H348-V352 VanDerWaalsContact O-CG2 3.3Å; H348-V352 WeakPolarHBondContact O-CG2 3.37Å; H348-V352 PolarHBondContact O-N 2.89Å
349	N	92.4	Very high	92.8	Very high	127 Å²	127	45.1 Å²	45.1	68%	0.679	22%	0.217	S	C	*	.	H	α-helix	trans	-65.9	-41	-176.3	-68	-7.8	0	0	0	112.9	G347 V352 Q353	G347-N349 VanDerWaalsContact C-N 3.28Å; G347-N349 PolarHBondContact O-N 3.4Å; N349-V352 PolarHBondContact O-N 3.25Å; N349-Q353 VanDerWaalsContact O-CB 3.26Å; N349-Q353 WeakPolarHBondContact O-CB 3.32Å; N349-Q353 PolarHBondContact O-N 2.9Å
350	G	92.4	Very high	92.6	Very high	17 Å²	17	46.7 Å²	46.7	18%	0.175	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-38.1	179	0	0	0	0	0	112.9	L346 G347 H348 Q353 K354	L346-G350 WeakPolarHBondContact O-CA 3.33Å; L346-G350 PolarHBondContact O-N 2.76Å; L346-G350 VanDerWaalsContact O-N 3.12Å; G347-G350 PolarHBondContact O-N 3.26Å; H348-G350 PolarHBondContact O-N 2.9Å; G350-Q353 PolarHBondContact O-N 3.46Å; G350-K354 PolarHBondContact O-N 3.44Å
351	I	92.9	Very high	92.5	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-51.8	172.9	-65.9	163.4	0	0	0	110.2	I126 A276 L301 L343 L346 G347 H348 Q353 K354 I355	I126-I351 HydrophobicContact CD1-CD1 3.9Å; I126-I351 HydrophobicContact CG2-CG2 4.37Å; A276-I351 HydrophobicContact CB-CG2 4.5Å; L301-I351 HydrophobicContact CD1-CG1 4.14Å; L301-I351 HydrophobicContact CD2-CB 4.41Å; L301-I351 HydrophobicContact CD2-CG1 4.39Å; L301-I351 HydrophobicContact CD2-CG2 4.18Å; L343-I351 HydrophobicContact CD2-CD1 3.39Å; L343-I351 HydrophobicContact CD2-CG1 4.39Å; L346-I351 HydrophobicContact CB-CG1 4.11Å; L346-I351 HydrophobicContact CD1-CG1 4.26Å; G347-I351 VanDerWaalsContact O-CD1 3.29Å; G347-I351 WeakPolarHBondContact O-CD1 3.42Å; G347-I351 VanDerWaalsContact O-CG1 3.28Å; G347-I351 WeakPolarHBondContact O-CG1 3.3Å; G347-I351 PolarHBondContact O-N 3.41Å; H348-I351 PolarHBondContact O-N 3.34Å; I351-Q353 VanDerWaalsContact C-N 3.32Å; I351-Q353 PolarHBondContact O-N 3.1Å; I351-K354 PolarHBondContact O-N 2.96Å; I351-I355 HydrophobicContact CG2-CD1 3.95Å; I351-I355 WeakPolarHBondContact O-CG1 3.4Å; I351-I355 PolarHBondContact O-N 3.12Å; I351-I355 VanDerWaalsContact O-N 3.15Å
352	V	93.7	Very high	92.4	Very high	12 Å²	12	42.4 Å²	42.4	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-66.1	-33.7	179.6	175.2	0	0	0	0	111.9	A276 L277 H348 N349 R356	A276-V352 HydrophobicContact CB-CG2 4.44Å; A276-V352 VanDerWaalsContact O-CG2 3.24Å; A276-V352 WeakPolarHBondContact O-CG2 3.44Å; L277-V352 HydrophobicContact CD2-CG1 4.16Å; H348-V352 VanDerWaalsContact O-CG2 3.3Å; H348-V352 WeakPolarHBondContact O-CG2 3.37Å; H348-V352 PolarHBondContact O-N 2.89Å; N349-V352 PolarHBondContact O-N 3.25Å; V352-R356 WeakPolarHBondContact O-CB 3.48Å; V352-R356 PolarHBondContact O-N 2.86Å
353	Q	92.6	Very high	92.2	Very high	133 Å²	133	46.1 Å²	46.1	62%	0.621	23%	0.229	S	C	*	.	H	α-helix	trans	-66.9	-45.2	175.8	-177.7	172.9	-13.2	0	0	112.1	N349 G350 I351 R356 H357	N349-Q353 VanDerWaalsContact O-CB 3.26Å; N349-Q353 WeakPolarHBondContact O-CB 3.32Å; N349-Q353 PolarHBondContact O-N 2.9Å; G350-Q353 PolarHBondContact O-N 3.46Å; I351-Q353 VanDerWaalsContact C-N 3.32Å; I351-Q353 PolarHBondContact O-N 3.1Å; Q353-R356 PolarHBondContact O-N 3.2Å; Q353-H357 WeakPolarHBondContact O-CB 3.44Å; Q353-H357 PolarHBondContact O-N 2.95Å
354	K	91.7	Very high	92.1	Very high	39 Å²	39	48.2 Å²	48.2	17%	0.17	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-50.2	175.6	-80.9	175.1	173.4	-89.1	0	112.6	L301 G350 I351 R356 H357 A358	L301-K354 HydrophobicContact CB-CD 4.23Å; L301-K354 HydrophobicContact CD2-CB 4.21Å; L301-K354 HydrophobicContact CD2-CD 3.78Å; L301-K354 WeakPolarHBondContact O-CE 3.27Å; L301-K354 PolarHBondContact O-NZ 3.16Å; G350-K354 PolarHBondContact O-N 3.44Å; I351-K354 PolarHBondContact O-N 2.96Å; K354-R356 VanDerWaalsContact C-N 3.29Å; K354-R356 PolarHBondContact O-N 3.22Å; K354-H357 WeakPolarHBondContact O-CB 3.24Å; K354-H357 PolarHBondContact O-N 2.89Å; K354-H357 VanDerWaalsContact O-N 3.12Å; K354-A358 PolarHBondContact O-N 3.35Å
355	I	92.7	Very high	92	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-66.1	-35.6	-177.8	-64.5	162.7	0	0	0	110.3	A273 A276 L277 I351 A359 L468	A273-I355 HydrophobicContact CB-CD1 4.22Å; A273-I355 HydrophobicContact CB-CG1 4.35Å; A273-I355 HydrophobicContact CB-CG2 4.24Å; A276-I355 HydrophobicContact CB-CD1 3.94Å; L277-I355 HydrophobicContact CD1-CG2 4.21Å; L277-I355 HydrophobicContact CD2-CB 4.16Å; L277-I355 HydrophobicContact CD2-CG2 3.9Å; L277-I355 HydrophobicContact CG-CG2 3.97Å; I351-I355 HydrophobicContact CG2-CD1 3.95Å; I351-I355 WeakPolarHBondContact O-CG1 3.4Å; I351-I355 PolarHBondContact O-N 3.12Å; I351-I355 VanDerWaalsContact O-N 3.15Å; I355-A359 WeakPolarHBondContact O-CB 3.32Å; I355-A359 PolarHBondContact O-N 2.75Å; I355-A359 VanDerWaalsContact O-N 3.08Å; I355-L468 HydrophobicContact CG1-CD1 4.14Å
356	R	92.6	Very high	91.8	Very high	129 Å²	129	40.8 Å²	40.8	49%	0.487	21%	0.208	S	C	.	.	H	α-helix	trans	-66.2	-39.8	171.6	-172.6	-172.3	-63.9	104.1	-3	112.4	L277 V352 Q353 K354 A359 A360	L277-R356 HydrophobicContact CD2-CB 4.05Å; V352-R356 WeakPolarHBondContact O-CB 3.48Å; V352-R356 PolarHBondContact O-N 2.86Å; Q353-R356 PolarHBondContact O-N 3.2Å; K354-R356 VanDerWaalsContact C-N 3.29Å; K354-R356 PolarHBondContact O-N 3.22Å; R356-A359 PolarHBondContact O-N 2.64Å; R356-A360 VanDerWaalsContact O-CB 3.3Å; R356-A360 WeakPolarHBondContact O-CB 3.35Å; R356-A360 PolarHBondContact O-N 3.27Å
357	H	92.9	Very high	91.7	Very high	60 Å²	60	45.5 Å²	45.5	28%	0.278	23%	0.233	S	C	.	.	H	α-helix	trans	-61.1	-49.5	177.1	-174	77.4	0	0	0	110.8	Q353 K354 A359 A360 L361 T476 Q477	Q353-H357 WeakPolarHBondContact O-CB 3.44Å; Q353-H357 PolarHBondContact O-N 2.95Å; K354-H357 WeakPolarHBondContact O-CB 3.24Å; K354-H357 PolarHBondContact O-N 2.89Å; K354-H357 VanDerWaalsContact O-N 3.12Å; H357-A359 PolarHBondContact O-N 2.97Å; H357-A360 PolarHBondContact O-N 3.37Å; H357-A360 VanDerWaalsContact O-N 3.16Å; H357-L361 WeakPolarHBondContact O-CG 3.4Å; H357-L361 PolarHBondContact O-N 2.88Å; H357-T476 PolarHBondContact NE2-O 3.28Å; H357-Q477 PolarHBondContact CE1-OE1 3.07Å
358	A	92.6	Very high	91.5	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.033	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-44.7	175.4	0	0	0	0	0	113	K354 L361 S362 P467 L468	K354-A358 PolarHBondContact O-N 3.35Å; A358-L361 PolarHBondContact O-N 2.94Å; A358-S362 WeakPolarHBondContact O-CB 3.35Å; A358-S362 PolarHBondContact O-N 3.42Å; A358-S362 PolarHBondContact O-OG 3.43Å; A358-P467 HydrophobicContact CB-CB 4.3Å; A358-P467 HydrophobicContact CB-CG 4.33Å; A358-P467 VanDerWaalsContact O-CG 3.24Å; A358-P467 WeakPolarHBondContact O-CG 3.19Å; A358-L468 HydrophobicContact CB-CB 3.92Å; A358-L468 HydrophobicContact CB-CD1 4.36Å
359	A	90.6	Very high	91.3	Very high	10 Å²	10	42.8 Å²	42.8	8%	0.083	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-40.3	175.1	0	0	0	0	0	112.3	I355 R356 H357 S362 Q363	I355-A359 WeakPolarHBondContact O-CB 3.32Å; I355-A359 PolarHBondContact O-N 2.75Å; I355-A359 VanDerWaalsContact O-N 3.08Å; R356-A359 PolarHBondContact O-N 2.64Å; H357-A359 PolarHBondContact O-N 2.97Å; A359-S362 WeakPolarHBondContact O-CB 3.46Å; A359-S362 PolarHBondContact O-N 2.97Å; A359-Q363 WeakPolarHBondContact O-CB 3.43Å; A359-Q363 PolarHBondContact O-N 3.26Å
360	A	91.4	Very high	90.7	Very high	34 Å²	34	42 Å²	42	28%	0.281	21%	0.205	S	C	.	.	H	α-helix	trans	-67	-40.6	177.6	0	0	0	0	0	112.7	R356 H357 S362 Q363 H364	R356-A360 VanDerWaalsContact O-CB 3.3Å; R356-A360 WeakPolarHBondContact O-CB 3.35Å; R356-A360 PolarHBondContact O-N 3.27Å; H357-A360 PolarHBondContact O-N 3.37Å; H357-A360 VanDerWaalsContact O-N 3.16Å; A360-S362 VanDerWaalsContact C-N 3.34Å; A360-Q363 PolarHBondContact O-N 3.42Å; A360-H364 WeakPolarHBondContact O-CB 3.38Å; A360-H364 PolarHBondContact O-N 3.22Å
361	L	93.4	Very high	90.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-43.2	172.1	-68.3	179.9	0	0	0	111.3	H357 A358 H364 L365 F465 P467 A471 T476 Q477 Q478 V481	H357-L361 WeakPolarHBondContact O-CG 3.4Å; H357-L361 PolarHBondContact O-N 2.88Å; A358-L361 PolarHBondContact O-N 2.94Å; L361-H364 PolarHBondContact O-N 3.28Å; L361-L365 PolarHBondContact O-N 3.38Å; L361-F465 HydrophobicContact CB-CE1 4.15Å; L361-F465 HydrophobicContact CB-CZ 4.11Å; L361-P467 HydrophobicContact CB-CB 4.14Å; L361-P467 HydrophobicContact CB-CG 4.04Å; L361-P467 HydrophobicContact CD1-CB 3.9Å; L361-A471 HydrophobicContact CD1-CB 3.96Å; L361-T476 HydrophobicContact CD1-CG2 4.22Å; L361-Q477 VanDerWaalsContact CD2-O 3.27Å; L361-Q477 WeakPolarHBondContact CD2-O 3.36Å; L361-Q478 HydrophobicContact CD2-CG 3.85Å; L361-V481 HydrophobicContact CB-CG2 4.44Å; L361-V481 HydrophobicContact CD2-CG2 4.02Å
362	S	91.8	Very high	89.7	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.007	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-48.3	177.4	-53.8	0	0	0	0	111.2	A358 A359 A360 H364 L365 L366 S400 P401 V403 P467	A358-S362 WeakPolarHBondContact O-CB 3.35Å; A358-S362 PolarHBondContact O-N 3.42Å; A358-S362 PolarHBondContact O-OG 3.43Å; A359-S362 WeakPolarHBondContact O-CB 3.46Å; A359-S362 PolarHBondContact O-N 2.97Å; A360-S362 VanDerWaalsContact C-N 3.34Å; S362-H364 PolarHBondContact O-N 2.82Å; S362-L365 PolarHBondContact O-N 3.46Å; S362-L366 VanDerWaalsContact O-CB 3.3Å; S362-L366 WeakPolarHBondContact O-CB 3.31Å; S362-L366 PolarHBondContact O-N 3.01Å; S362-S400 VanDerWaalsContact CB-O 3.23Å; S362-S400 WeakPolarHBondContact CB-O 3.27Å; S362-P401 WeakPolarHBondContact OG-CA 3.28Å; S362-V403 WeakPolarHBondContact O-CG2 3.29Å; S362-P467 WeakPolarHBondContact OG-CG 3.28Å
363	Q	88.8	Confident	89	Confident	79 Å²	79	52.5 Å²	52.5	37%	0.369	27%	0.269	S	S	.	.	H	α-helix	trans	-62.4	-40.3	176.7	-172.1	179.4	47.4	0	0	112.3	A359 A360 L366 L367	A359-Q363 WeakPolarHBondContact O-CB 3.43Å; A359-Q363 PolarHBondContact O-N 3.26Å; A360-Q363 PolarHBondContact O-N 3.42Å; Q363-L366 PolarHBondContact O-N 2.96Å; Q363-L367 HydrophobicContact CG-CD1 4.12Å; Q363-L367 WeakPolarHBondContact O-CB 3.22Å; Q363-L367 VanDerWaalsContact O-CG 3.26Å; Q363-L367 WeakPolarHBondContact O-CG 3.13Å; Q363-L367 PolarHBondContact O-N 3.32Å
364	H	91.2	Very high	88.4	Confident	48 Å²	48	47.8 Å²	47.8	22%	0.222	25%	0.25	C	C	.	.	H	α-helix	trans	-65.7	-44.7	179.5	-176	69.2	0	0	0	112.2	A360 L361 S362 K368 D482	A360-H364 WeakPolarHBondContact O-CB 3.38Å; A360-H364 PolarHBondContact O-N 3.22Å; L361-H364 PolarHBondContact O-N 3.28Å; S362-H364 PolarHBondContact O-N 2.82Å; H364-K368 PolarHBondContact O-N 3.28Å; H364-D482 IonicContact CD2-OD1 2.69Å; H364-D482 IonicContact CE1-OD1 3.71Å; H364-D482 IonicContact NE2-OD1 3.61Å; H364-D482 PolarHBondContact NE2-OD1 2.88Å
365	L	91.1	Very high	88	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-51.2	171.3	-178.7	61.2	0	0	0	110.6	L361 S362 L367 K368 L369 V403 F405 F465 V481 V484 V485	L361-L365 PolarHBondContact O-N 3.38Å; S362-L365 PolarHBondContact O-N 3.46Å; L365-L367 VanDerWaalsContact C-N 3.31Å; L365-L367 PolarHBondContact O-N 2.91Å; L365-K368 PolarHBondContact O-N 3.24Å; L365-L369 HydrophobicContact CD1-CD1 4.03Å; L365-L369 HydrophobicContact CD1-CD2 4.03Å; L365-L369 HydrophobicContact CD1-CG 3.81Å; L365-L369 HydrophobicContact CD2-CD1 4.2Å; L365-L369 HydrophobicContact CG-CD1 3.77Å; L365-L369 HydrophobicContact CG-CG 3.96Å; L365-L369 WeakPolarHBondContact O-CG 3.45Å; L365-L369 PolarHBondContact O-N 3.35Å; L365-V403 HydrophobicContact CD2-CB 4.38Å; L365-V403 HydrophobicContact CD2-CG1 4.36Å; L365-F405 HydrophobicContact CD2-CE1 4.1Å; L365-F465 HydrophobicContact CB-CD1 4.18Å; L365-F465 HydrophobicContact CB-CE1 4.18Å; L365-F465 HydrophobicContact CD2-CB 3.61Å; L365-F465 HydrophobicContact CD2-CD1 3.34Å; L365-F465 HydrophobicContact CD2-CD2 4.41Å; L365-F465 HydrophobicContact CD2-CE1 4.04Å; L365-F465 HydrophobicContact CD2-CG 3.55Å; L365-F465 HydrophobicContact CG-CD1 4.39Å; L365-V481 HydrophobicContact CB-CG1 3.69Å; L365-V481 HydrophobicContact CD1-CG1 4.06Å; L365-V481 HydrophobicContact CG-CG1 4.42Å; L365-V484 HydrophobicContact CD1-CG1 4.36Å; L365-V485 HydrophobicContact CD1-CG2 3.67Å
366	L	87.9	Confident	87.5	Confident	22 Å²	22	50.4 Å²	50.4	12%	0.115	26%	0.259	C	S	.	.	H	α-helix	trans	-57.5	-41.3	-177	-176.9	59.5	0	0	0	112.7	S362 Q363 K368 K370 T377 V403	S362-L366 VanDerWaalsContact O-CB 3.3Å; S362-L366 WeakPolarHBondContact O-CB 3.31Å; S362-L366 PolarHBondContact O-N 3.01Å; Q363-L366 PolarHBondContact O-N 2.96Å; L366-K368 VanDerWaalsContact C-N 3.34Å; L366-K368 PolarHBondContact O-N 3.45Å; L366-K370 HydrophobicContact CD1-CD 4.31Å; L366-K370 HydrophobicContact CG-CD 4.32Å; L366-K370 WeakPolarHBondContact O-CB 3.37Å; L366-K370 WeakPolarHBondContact O-CG 3.25Å; L366-K370 PolarHBondContact O-N 2.96Å; L366-K370 VanDerWaalsContact O-N 3.07Å; L366-T377 HydrophobicContact CD1-CG2 3.86Å; L366-V403 HydrophobicContact CB-CG2 4.35Å; L366-V403 HydrophobicContact CD1-CG1 4.29Å
367	L	87.9	Confident	86.7	Confident	119 Å²	119	45 Å²	45	62%	0.623	24%	0.241	S	C	*	.	H	α-helix	trans	-64.6	-36.3	175.9	-75.1	170.7	0	0	0	112.5	Q363 L365	Q363-L367 HydrophobicContact CG-CD1 4.12Å; Q363-L367 WeakPolarHBondContact O-CB 3.22Å; Q363-L367 VanDerWaalsContact O-CG 3.26Å; Q363-L367 WeakPolarHBondContact O-CG 3.13Å; Q363-L367 PolarHBondContact O-N 3.32Å; L365-L367 VanDerWaalsContact C-N 3.31Å; L365-L367 PolarHBondContact O-N 2.91Å
368	K	88.6	Confident	85.2	Confident	58 Å²	58	44.2 Å²	44.2	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-75.4	-42.7	176.4	-74.7	-173	167.6	-166.4	0	112.6	H364 L365 L366 K370 S371 D482 V485	H364-K368 PolarHBondContact O-N 3.28Å; L365-K368 PolarHBondContact O-N 3.24Å; L366-K368 VanDerWaalsContact C-N 3.34Å; L366-K368 PolarHBondContact O-N 3.45Å; K368-K370 VanDerWaalsContact C-N 3.26Å; K368-K370 PolarHBondContact O-N 2.9Å; K368-S371 WeakPolarHBondContact O-CB 3.43Å; K368-S371 PolarHBondContact O-N 3.49Å; K368-S371 PolarHBondContact O-OG 3.41Å; K368-D482 IonicContact NZ-OD1 3.84Å; K368-D482 PolarHBondContact NZ-OD1 2.85Å; K368-D482 IonicContact NZ-OD2 2.65Å; K368-D482 PolarHBondContact NZ-OD2 2.8Å; K368-V485 HydrophobicContact CB-CG1 4.17Å; K368-V485 HydrophobicContact CB-CG2 3.8Å; K368-V485 HydrophobicContact CD-CB 4.3Å; K368-V485 HydrophobicContact CD-CG1 4.24Å; K368-V485 HydrophobicContact CD-CG2 3.97Å
369	L	87.1	Confident	83.4	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-35.6	175.5	-65.2	-177.1	0	0	0	112	L365 S371 L372 I375 T377 V403 F405 L488	L365-L369 HydrophobicContact CD1-CD1 4.03Å; L365-L369 HydrophobicContact CD1-CD2 4.03Å; L365-L369 HydrophobicContact CD1-CG 3.81Å; L365-L369 HydrophobicContact CD2-CD1 4.2Å; L365-L369 HydrophobicContact CG-CD1 3.77Å; L365-L369 HydrophobicContact CG-CG 3.96Å; L365-L369 WeakPolarHBondContact O-CG 3.45Å; L365-L369 PolarHBondContact O-N 3.35Å; L369-S371 PolarHBondContact O-N 3.29Å; L369-L372 HydrophobicContact CD2-CD1 4.01Å; L369-L372 PolarHBondContact O-N 3.39Å; L369-I375 HydrophobicContact CD2-CG2 4.37Å; L369-T377 HydrophobicContact CB-CG2 3.92Å; L369-T377 HydrophobicContact CD1-CG2 4.04Å; L369-V403 HydrophobicContact CD1-CG1 4.11Å; L369-F405 HydrophobicContact CD1-CB 3.7Å; L369-F405 HydrophobicContact CD1-CD1 3.53Å; L369-F405 HydrophobicContact CD1-CD2 4.29Å; L369-F405 HydrophobicContact CD1-CE1 4.18Å; L369-F405 HydrophobicContact CD1-CG 3.58Å; L369-L488 HydrophobicContact CD2-CD1 3.48Å; L369-L488 VanDerWaalsContact CD2-CD1 3.48Å
370	K	81.2	Confident	81	Confident	109 Å²	109	48 Å²	48	47%	0.474	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-2.7	173.9	-75.3	175.5	178.9	175.8	0	114.5	L366 K368 D379	L366-K370 HydrophobicContact CD1-CD 4.31Å; L366-K370 HydrophobicContact CG-CD 4.32Å; L366-K370 WeakPolarHBondContact O-CB 3.37Å; L366-K370 WeakPolarHBondContact O-CG 3.25Å; L366-K370 PolarHBondContact O-N 2.96Å; L366-K370 VanDerWaalsContact O-N 3.07Å; K368-K370 VanDerWaalsContact C-N 3.26Å; K368-K370 PolarHBondContact O-N 2.9Å; K370-D379 WeakPolarHBondContact CE-OD2 3.35Å; K370-D379 IonicContact NZ-OD2 3.67Å; K370-D379 PolarHBondContact NZ-OD2 3.45Å
371	S	81.7	Confident	78.5	Confident	88 Å²	88	49.4 Å²	49.4	62%	0.615	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-12.9	167.8	75.2	0	0	0	0	114.7	K368 L369	K368-S371 WeakPolarHBondContact O-CB 3.43Å; K368-S371 PolarHBondContact O-N 3.49Å; K368-S371 PolarHBondContact O-OG 3.41Å; L369-S371 PolarHBondContact O-N 3.29Å
372	L	81.6	Confident	76	Confident	26 Å²	26	52.9 Å²	52.9	14%	0.136	29%	0.289	C	S	.	.			trans	-96.8	107.7	-175	-55.4	-178.8	0	0	0	110.6	L369 C374 I375 L488 L489	L369-L372 HydrophobicContact CD2-CD1 4.01Å; L369-L372 PolarHBondContact O-N 3.39Å; L372-C374 PolarHBondContact O-N 2.97Å; L372-C374 VanDerWaalsContact O-N 3.17Å; L372-I375 HydrophobicContact CB-CB 4.07Å; L372-I375 HydrophobicContact CB-CG1 3.89Å; L372-I375 HydrophobicContact CD1-CG1 3.92Å; L372-I375 PolarHBondContact O-N 3.15Å; L372-L488 HydrophobicContact CD1-CB 4.27Å; L372-L489 HydrophobicContact CD2-CD2 3.57Å; L372-L489 HydrophobicContact CD2-CG 4.19Å
373	T	78.8	Confident	73.3	Confident	139 Å²	139	60.3 Å²	60.3	85%	0.853	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.6	-175.3	50.7	0	0	0	0	114.9
374	C	81.6	Confident	70.7	Confident	33 Å²	33	65.8 Å²	65.8	22%	0.223	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	4.9	-177.9	-56.6	0	0	0	0	113.1	L372 F407 S408 V492	L372-C374 PolarHBondContact O-N 2.97Å; L372-C374 VanDerWaalsContact O-N 3.17Å; C374-F407 HydrophobicContact CB-CD2 4.28Å; C374-F407 HydrophobicContact CB-CE2 4.01Å; C374-F407 WeakPolarHBondContact O-CA 3.48Å; C374-F407 WeakPolarHBondContact O-CD2 3.3Å; C374-S408 CarbonylContact C-O 3.49Å; C374-S408 WeakPolarHBondContact CA-O 3.46Å; C374-S408 PolarHBondContact O-N 3.12Å; C374-S408 VanDerWaalsContact O-O 3.06Å; C374-V492 HydrophobicContact CB-CG1 3.72Å
375	I	83.4	Confident	68.3	Low	12 Å²	12	67.7 Å²	67.7	6%	0.062	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120	173.7	-59.4	-61.6	0	0	0	109	L369 L372 F405 K406 M438 L488 V492	L369-I375 HydrophobicContact CD2-CG2 4.37Å; L372-I375 HydrophobicContact CB-CB 4.07Å; L372-I375 HydrophobicContact CB-CG1 3.89Å; L372-I375 HydrophobicContact CD1-CG1 3.92Å; L372-I375 PolarHBondContact O-N 3.15Å; I375-F405 HydrophobicContact CG2-CB 3.73Å; I375-F405 HydrophobicContact CG2-CD2 4.08Å; I375-F405 HydrophobicContact CG2-CG 4.31Å; I375-K406 CarbonylContact C-O 3.58Å; I375-K406 WeakPolarHBondContact CA-O 3.39Å; I375-M438 HydrophobicContact CD1-CE 3.82Å; I375-M438 HydrophobicContact CD1-SD 4.31Å; I375-L488 HydrophobicContact CD1-CD2 4.21Å; I375-V492 HydrophobicContact CD1-CG2 3.76Å; I375-V492 HydrophobicContact CG1-CG2 4.29Å
376	R	81	Confident	65.9	Low	84 Å²	84	70.6 Å²	70.6	32%	0.317	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.8	166.3	-76.9	172.4	-165.8	-178.3	4.2	108.9	F405 K406 S408	R376-F405 CarbonylContact O-C 3.59Å; R376-F405 VanDerWaalsContact O-CA 3.23Å; R376-F405 WeakPolarHBondContact O-CA 3.26Å; R376-K406 HydrophobicContact CB-CG 4.45Å; R376-K406 PolarHBondContact N-O 3.37Å; R376-K406 PolarHBondContact O-N 3.28Å; R376-S408 VanDerWaalsContact CD-OG 3.26Å; R376-S408 WeakPolarHBondContact CD-OG 3.43Å; R376-S408 VanDerWaalsContact CG-OG 3.3Å; R376-S408 WeakPolarHBondContact CG-OG 3.41Å; R376-S408 PolarHBondContact NE-OG 2.78Å
377	T	76.5	Confident	63.8	Low	16 Å²	16	76.3 Å²	76.3	10%	0.098	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	165.5	163.9	49.9	0	0	0	0	109.2	L366 L369 D379 G380 L404 F405	L366-T377 HydrophobicContact CD1-CG2 3.86Å; L369-T377 HydrophobicContact CB-CG2 3.92Å; L369-T377 HydrophobicContact CD1-CG2 4.04Å; T377-D379 PolarHBondContact O-N 3.25Å; T377-D379 VanDerWaalsContact O-N 3.11Å; T377-G380 WeakPolarHBondContact O-CA 3.48Å; T377-G380 PolarHBondContact O-N 3.23Å; T377-L404 WeakPolarHBondContact CA-O 3.23Å; T377-F405 HydrophobicContact CG2-CB 4.15Å
378	S	61.2	Low	61.5	Low	44 Å²	44	75.5 Å²	75.5	31%	0.308	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-38.7	175	39.2	0	0	0	0	113.7	G380 L404	S378-G380 VanDerWaalsContact C-N 3.27Å; S378-G380 PolarHBondContact O-N 3.16Å; S378-L404 PolarHBondContact N-O 3.08Å
379	D	53.8	Low	59.2	Low	50 Å²	50	78.3 Å²	78.3	27%	0.267	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	6.4	-175.2	-4.9	-45.4	0	0	0	112.6	K370 T377 L381	K370-D379 WeakPolarHBondContact CE-OD2 3.35Å; K370-D379 IonicContact NZ-OD2 3.67Å; K370-D379 PolarHBondContact NZ-OD2 3.45Å; T377-D379 PolarHBondContact O-N 3.25Å; T377-D379 VanDerWaalsContact O-N 3.11Å; D379-L381 VanDerWaalsContact C-N 3.34Å; D379-L381 PolarHBondContact O-N 2.87Å; D379-L381 VanDerWaalsContact O-N 3.08Å
380	G	41.7	Very low	57	Low	42 Å²	42	79.3 Å²	79.3	43%	0.433	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	23.1	-161.4	0	0	0	0	0	118.1	T377 S378	T377-G380 WeakPolarHBondContact O-CA 3.48Å; T377-G380 PolarHBondContact O-N 3.23Å; S378-G380 VanDerWaalsContact C-N 3.27Å; S378-G380 PolarHBondContact O-N 3.16Å
381	L	39.3	Very low	54.9	Low	65 Å²	65	79.8 Å²	79.8	34%	0.34	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	28.5	-171.1	-150.2	105.5	0	0	0	118.6	F208 D379 K383	F208-L381 HydrophobicContact CD1-CD2 3.52Å; F208-L381 HydrophobicContact CE1-CD1 4.26Å; F208-L381 HydrophobicContact CE1-CD2 3.29Å; F208-L381 HydrophobicContact CE1-CG 4.4Å; F208-L381 HydrophobicContact CE2-CD2 4.37Å; F208-L381 HydrophobicContact CG-CD2 4.19Å; F208-L381 HydrophobicContact CZ-CD1 4.05Å; F208-L381 HydrophobicContact CZ-CD2 3.75Å; D379-L381 VanDerWaalsContact C-N 3.34Å; D379-L381 PolarHBondContact O-N 2.87Å; D379-L381 VanDerWaalsContact O-N 3.08Å; L381-K383 VanDerWaalsContact C-N 3.27Å; L381-K383 PolarHBondContact O-N 3.16Å
382	E	40.4	Very low	52.7	Low	74 Å²	74	82.6 Å²	82.6	35%	0.346	44%	0.438	S	S	.	.			trans	-80.6	58.1	170.3	-68.9	-153	156.7	0	0	114.6	Q384 I385 A390	E382-Q384 PolarHBondContact O-N 2.86Å; E382-I385 HydrophobicContact CG-CB 4.26Å; E382-I385 HydrophobicContact CG-CD1 4.17Å; E382-I385 HydrophobicContact CG-CG1 4.4Å; E382-I385 WeakPolarHBondContact OE1-CD1 3.35Å; E382-I385 WeakPolarHBondContact OE1-CG2 3.39Å; E382-A390 WeakPolarHBondContact OE2-CB 3.36Å
383	K	35.6	Very low	50.8	Low	157 Å²	157	84 Å²	84	68%	0.683	45%	0.445	S	S	*	.	S	Bend	trans	-84	50.3	162.7	-75.8	178.4	-176.6	165.3	0	111.3	L381 E410	L381-K383 VanDerWaalsContact C-N 3.27Å; L381-K383 PolarHBondContact O-N 3.16Å; K383-E410 IonicContact NZ-OE1 3.61Å; K383-E410 PolarHBondContact NZ-OE1 3.35Å; K383-E410 IonicContact NZ-OE2 2.78Å
384	Q	33.8	Very low	48.9	Very low	193 Å²	193	80 Å²	80	90%	0.902	42%	0.42	S	S	*	.	S	Bend	trans	150	64.9	162.6	-85.2	169.2	55.1	0	0	113.6	E382	E382-Q384 PolarHBondContact O-N 2.86Å
385	I	40.3	Very low	47	Very low	89 Å²	89	85.2 Å²	85.2	46%	0.456	44%	0.441	S	S	.	.			trans	-123.4	157.6	165.8	-68.1	-172.7	0	0	0	110.6	E382 E389	E382-I385 HydrophobicContact CG-CB 4.26Å; E382-I385 HydrophobicContact CG-CD1 4.17Å; E382-I385 HydrophobicContact CG-CG1 4.4Å; E382-I385 WeakPolarHBondContact OE1-CD1 3.35Å; E382-I385 WeakPolarHBondContact OE1-CG2 3.39Å; I385-E389 HydrophobicContact CG2-CB 3.81Å
386	S	39.8	Very low	45.3	Very low	61 Å²	61	86.7 Å²	86.7	43%	0.427	45%	0.449	S	S	.	.			trans	-69.9	139.2	-175.8	-176.1	0	0	0	0	112.1	V388 E389 A390	S386-V388 PolarHBondContact O-N 3.21Å; S386-E389 WeakPolarHBondContact CB-OE2 3.42Å; S386-E389 PolarHBondContact O-N 2.88Å; S386-A390 PolarHBondContact O-N 3.42Å; S386-A390 VanDerWaalsContact O-N 3.07Å
387	L	44.3	Very low	43.9	Very low	143 Å²	143	84.3 Å²	84.3	75%	0.749	44%	0.442	S	S	*	.	H	α-helix	trans	-51.6	-24	176.4	-78.6	166.6	0	0	0	114.3	L391	L387-L391 WeakPolarHBondContact O-CB 3.35Å; L387-L391 WeakPolarHBondContact O-CD1 3.29Å; L387-L391 WeakPolarHBondContact O-CG 3.47Å; L387-L391 PolarHBondContact O-N 2.84Å
388	V	39.4	Very low	42.7	Very low	101 Å²	101	88.2 Å²	88.2	61%	0.612	46%	0.459	S	S	*	.	H	α-helix	trans	-86.5	-20.7	-179.3	-177.7	0	0	0	0	112.7	S386	S386-V388 PolarHBondContact O-N 3.21Å
389	E	39.8	Very low	42.7	Very low	117 Å²	117	88.5 Å²	88.5	55%	0.547	46%	0.457	S	S	.	.	H	α-helix	trans	-90.4	-45.1	175.6	-75.1	165.6	134.2	0	0	110.3	I385 S386 L391 K392 M393	I385-E389 HydrophobicContact CG2-CB 3.81Å; S386-E389 WeakPolarHBondContact CB-OE2 3.42Å; S386-E389 PolarHBondContact O-N 2.88Å; E389-L391 VanDerWaalsContact C-N 3.28Å; E389-L391 PolarHBondContact O-N 3.24Å; E389-K392 WeakPolarHBondContact O-CB 3.38Å; E389-K392 PolarHBondContact O-N 2.81Å; E389-M393 PolarHBondContact O-N 2.82Å
390	A	41.8	Very low	43.6	Very low	22 Å²	22	87.7 Å²	87.7	18%	0.182	46%	0.455	C	S	.	.	H	α-helix	trans	-51.4	-46	170.5	0	0	0	0	0	112	E382 S386 K392 M393 V394	E382-A390 WeakPolarHBondContact OE2-CB 3.36Å; S386-A390 PolarHBondContact O-N 3.42Å; S386-A390 VanDerWaalsContact O-N 3.07Å; A390-K392 PolarHBondContact O-N 3.15Å; A390-K392 VanDerWaalsContact O-N 3.16Å; A390-M393 PolarHBondContact O-N 2.86Å; A390-V394 WeakPolarHBondContact O-CB 3.41Å; A390-V394 WeakPolarHBondContact O-CG2 3.37Å; A390-V394 PolarHBondContact O-N 2.81Å
391	L	36.5	Very low	45.6	Very low	120 Å²	120	85.8 Å²	85.8	63%	0.628	44%	0.435	S	S	*	.	H	α-helix	trans	-63.6	-18.1	177.3	-80.7	173.5	0	0	0	114.9	L387 E389	L387-L391 WeakPolarHBondContact O-CB 3.35Å; L387-L391 WeakPolarHBondContact O-CD1 3.29Å; L387-L391 WeakPolarHBondContact O-CG 3.47Å; L387-L391 PolarHBondContact O-N 2.84Å; E389-L391 VanDerWaalsContact C-N 3.28Å; E389-L391 PolarHBondContact O-N 3.24Å
392	K	36.8	Very low	47.9	Very low	146 Å²	146	83.2 Å²	83.2	64%	0.635	42%	0.422	S	S	*	.	H	α-helix	trans	-91.8	-39.9	173	-72.4	-176.1	176.6	-178.3	0	112.2	E389 A390 V394 E395 D396	E389-K392 WeakPolarHBondContact O-CB 3.38Å; E389-K392 PolarHBondContact O-N 2.81Å; A390-K392 PolarHBondContact O-N 3.15Å; A390-K392 VanDerWaalsContact O-N 3.16Å; K392-V394 VanDerWaalsContact C-N 3.29Å; K392-V394 PolarHBondContact O-N 3.49Å; K392-E395 PolarHBondContact O-N 3.26Å; K392-D396 PolarHBondContact O-N 3.39Å
393	M	41.3	Very low	50.2	Low	56 Å²	56	79.9 Å²	79.9	28%	0.276	41%	0.407	S	S	.	.	H	α-helix	trans	-63.5	-40.2	177.6	-68.6	-178.3	49.3	0	0	110.3	E389 A390 E395 D396 E397	E389-M393 PolarHBondContact O-N 2.82Å; A390-M393 PolarHBondContact O-N 2.86Å; M393-E395 VanDerWaalsContact C-N 3.26Å; M393-E395 PolarHBondContact O-N 3.13Å; M393-E395 VanDerWaalsContact O-N 3.15Å; M393-D396 PolarHBondContact O-N 2.9Å; M393-D396 VanDerWaalsContact O-N 3.08Å; M393-E397 VanDerWaalsContact CB-OE1 3.31Å; M393-E397 WeakPolarHBondContact CB-OE1 3.34Å; M393-E397 VanDerWaalsContact O-CB 3.3Å; M393-E397 WeakPolarHBondContact O-CB 3.29Å; M393-E397 WeakPolarHBondContact O-CG 3.28Å; M393-E397 PolarHBondContact O-N 3.23Å
394	V	39.3	Very low	52.8	Low	55 Å²	55	72.6 Å²	72.6	33%	0.333	38%	0.375	S	S	.	.	H	α-helix	trans	-55.3	-30.9	173.4	167.4	0	0	0	0	114.4	A390 K392 Q398	A390-V394 WeakPolarHBondContact O-CB 3.41Å; A390-V394 WeakPolarHBondContact O-CG2 3.37Å; A390-V394 PolarHBondContact O-N 2.81Å; K392-V394 VanDerWaalsContact C-N 3.29Å; K392-V394 PolarHBondContact O-N 3.49Å; V394-Q398 VanDerWaalsContact CG1-NE2 3.35Å; V394-Q398 WeakPolarHBondContact O-CG 3.47Å; V394-Q398 PolarHBondContact O-N 3.43Å
395	E	41.8	Very low	55.4	Low	142 Å²	142	63.5 Å²	63.5	66%	0.664	33%	0.333	S	S	*	.	H	α-helix	trans	-77.4	-37.6	175.9	-71.1	-168.5	152.3	0	0	112.8	K392 M393 N399	K392-E395 PolarHBondContact O-N 3.26Å; M393-E395 VanDerWaalsContact C-N 3.26Å; M393-E395 PolarHBondContact O-N 3.13Å; M393-E395 VanDerWaalsContact O-N 3.15Å; E395-N399 PolarHBondContact O-ND2 3.47Å
396	D	46.2	Very low	57.8	Low	44 Å²	44	60.7 Å²	60.7	24%	0.235	32%	0.317	C	S	.	.	H	α-helix	trans	-81.6	-25.6	178.4	-79.9	-5.3	0	0	0	112.3	T281 S282 A283 K392 M393	T281-D396 WeakPolarHBondContact CA-OD1 3.45Å; T281-D396 WeakPolarHBondContact CB-OD1 3.36Å; T281-D396 HydrophobicContact CG2-CB 4.46Å; S282-D396 PolarHBondContact N-OD1 2.88Å; S282-D396 PolarHBondContact OG-OD1 3.3Å; S282-D396 PolarHBondContact OG-OD2 3.39Å; A283-D396 PolarHBondContact N-OD2 3.46Å; K392-D396 PolarHBondContact O-N 3.39Å; M393-D396 PolarHBondContact O-N 2.9Å; M393-D396 VanDerWaalsContact O-N 3.08Å
397	E	52.4	Low	60.1	Low	33 Å²	33	57.9 Å²	57.9	15%	0.154	30%	0.297	C	S	.	.	H	α-helix	trans	-68.5	-48.8	174.5	-79.7	164.3	-151	0	0	113.2	M393 N399 S400	M393-E397 VanDerWaalsContact CB-OE1 3.31Å; M393-E397 WeakPolarHBondContact CB-OE1 3.34Å; M393-E397 VanDerWaalsContact O-CB 3.3Å; M393-E397 WeakPolarHBondContact O-CB 3.29Å; M393-E397 WeakPolarHBondContact O-CG 3.28Å; M393-E397 PolarHBondContact O-N 3.23Å; E397-N399 PolarHBondContact O-N 2.92Å; E397-S400 PolarHBondContact O-N 3.23Å; E397-S400 VanDerWaalsContact O-N 3.16Å
398	Q	51.9	Low	62	Low	98 Å²	98	51.6 Å²	51.6	46%	0.458	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-3.2	-165.4	-80	178.8	8.8	0	0	115.5	V394	V394-Q398 VanDerWaalsContact CG1-NE2 3.35Å; V394-Q398 WeakPolarHBondContact O-CG 3.47Å; V394-Q398 PolarHBondContact O-N 3.43Å
399	N	59.7	Low	63.8	Low	51 Å²	51	49.6 Å²	49.6	27%	0.273	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	10.4	-177	-64.6	-79	0	0	0	113.6	T281 E395 E397 P401	T281-N399 HydrophobicContact CG2-CB 3.74Å; E395-N399 PolarHBondContact O-ND2 3.47Å; E397-N399 PolarHBondContact O-N 2.92Å; N399-P401 WeakPolarHBondContact O-CD 3.47Å
400	S	74.6	Confident	64.7	Low	33 Å²	33	50.1 Å²	50.1	23%	0.231	25%	0.252	C	S	.	.			trans	-64.8	128.3	172.5	-177.4	0	0	0	0	111	S362 E397 V402	S362-S400 VanDerWaalsContact CB-O 3.23Å; S362-S400 WeakPolarHBondContact CB-O 3.27Å; E397-S400 PolarHBondContact O-N 3.23Å; E397-S400 VanDerWaalsContact O-N 3.16Å; S400-V402 PolarHBondContact O-N 2.96Å; S400-V402 PolarHBondContact OG-N 3.05Å; S400-V402 PolarHBondContact OG-O 2.81Å
401	P	83.3	Confident	65	Low	2 Å²	2	53.2 Å²	53.2	1%	0.013	27%	0.272	C	S	.	.	S	Bend	trans	-84.2	13.5	171.8	36.6	-36	0	0	0	113.4	N271 T274 S362 N399 S466 L468	N271-P401 WeakPolarHBondContact OD1-CD 3.36Å; N271-P401 WeakPolarHBondContact OD1-CG 3.4Å; T274-P401 HydrophobicContact CG2-CG 4.46Å; S362-P401 WeakPolarHBondContact OG-CA 3.28Å; N399-P401 WeakPolarHBondContact O-CD 3.47Å; P401-S466 PolarHBondContact O-OG 2.95Å; P401-L468 HydrophobicContact CB-CB 3.79Å; P401-L468 HydrophobicContact CB-CD2 3.74Å; P401-L468 HydrophobicContact CB-CG 4.36Å; P401-L468 HydrophobicContact CG-CD2 3.69Å
402	V	87.8	Confident	64.9	Low	10 Å²	10	55.6 Å²	55.6	6%	0.061	29%	0.285	C	S	.	.			trans	-131.7	130.6	175.8	-169.7	0	0	0	0	108	V270 S400 R464 F465	V270-V402 HydrophobicContact CG2-CG2 3.68Å; S400-V402 PolarHBondContact O-N 2.96Å; S400-V402 PolarHBondContact OG-N 3.05Å; S400-V402 PolarHBondContact OG-O 2.81Å; V402-R464 HydrophobicContact CG1-CG 4.04Å; V402-F465 WeakPolarHBondContact CA-O 3.25Å
403	V	88.6	Confident	64.7	Low	4 Å²	4	52.6 Å²	52.6	2%	0.024	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.4	169.4	-176	0	0	0	0	108.1	S362 L365 L366 L369 F405 F465	S362-V403 WeakPolarHBondContact O-CG2 3.29Å; L365-V403 HydrophobicContact CD2-CB 4.38Å; L365-V403 HydrophobicContact CD2-CG1 4.36Å; L366-V403 HydrophobicContact CB-CG2 4.35Å; L366-V403 HydrophobicContact CD1-CG1 4.29Å; L369-V403 HydrophobicContact CD1-CG1 4.11Å; V403-F405 HydrophobicContact CG1-CD1 4.42Å; V403-F465 HydrophobicContact CB-CB 4.41Å; V403-F465 HydrophobicContact CG2-CD1 4.41Å; V403-F465 PolarHBondContact N-O 3.15Å; V403-F465 PolarHBondContact O-N 3.08Å
404	L	88.6	Confident	64.4	Low	4 Å²	4	54.2 Å²	54.2	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140	165.7	-70.6	-174.2	0	0	0	110.3	A245 T377 S378 V454 L456 C462 R464	A245-L404 HydrophobicContact CB-CD1 3.45Å; A245-L404 VanDerWaalsContact CB-CD1 3.45Å; A245-L404 HydrophobicContact CB-CG 4.42Å; T377-L404 WeakPolarHBondContact CA-O 3.23Å; S378-L404 PolarHBondContact N-O 3.08Å; L404-V454 HydrophobicContact CD2-CG2 3.78Å; L404-L456 HydrophobicContact CD1-CD1 3.73Å; L404-C462 HydrophobicContact CD2-CB 4.34Å; L404-R464 HydrophobicContact CD2-CB 3.71Å; L404-R464 HydrophobicContact CD2-CG 3.94Å
405	F	89.8	Confident	64	Low	2 Å²	2	54.8 Å²	54.8	1%	0.009	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	156.5	172.3	64.4	-87	0	0	0	112.5	L365 L369 I375 R376 T377 V403 M438 L442 V463 L488	L365-F405 HydrophobicContact CD2-CE1 4.1Å; L369-F405 HydrophobicContact CD1-CB 3.7Å; L369-F405 HydrophobicContact CD1-CD1 3.53Å; L369-F405 HydrophobicContact CD1-CD2 4.29Å; L369-F405 HydrophobicContact CD1-CE1 4.18Å; L369-F405 HydrophobicContact CD1-CG 3.58Å; I375-F405 HydrophobicContact CG2-CB 3.73Å; I375-F405 HydrophobicContact CG2-CD2 4.08Å; I375-F405 HydrophobicContact CG2-CG 4.31Å; R376-F405 CarbonylContact O-C 3.59Å; R376-F405 VanDerWaalsContact O-CA 3.23Å; R376-F405 WeakPolarHBondContact O-CA 3.26Å; T377-F405 HydrophobicContact CG2-CB 4.15Å; V403-F405 HydrophobicContact CG1-CD1 4.42Å; F405-M438 HydrophobicContact CE2-SD 4.19Å; F405-L442 HydrophobicContact CE2-CD1 4.11Å; F405-L442 HydrophobicContact CZ-CD1 4.07Å; F405-V463 HydrophobicContact CD1-CB 4.47Å; F405-V463 HydrophobicContact CD2-CB 4.02Å; F405-V463 HydrophobicContact CE1-CB 4.15Å; F405-V463 HydrophobicContact CE1-CG1 3.85Å; F405-V463 HydrophobicContact CE2-CB 3.65Å; F405-V463 HydrophobicContact CE2-CG1 3.69Å; F405-V463 HydrophobicContact CE2-CG2 4.21Å; F405-V463 HydrophobicContact CG-CB 4.42Å; F405-V463 HydrophobicContact CZ-CB 3.74Å; F405-V463 HydrophobicContact CZ-CG1 3.32Å; F405-V463 PolarHBondContact N-O 3.39Å; F405-V463 WeakPolarHBondContact O-CA 3.32Å; F405-V463 PolarHBondContact O-N 3.47Å; F405-L488 HydrophobicContact CE2-CD1 3.91Å; F405-L488 HydrophobicContact CE2-CD2 4.09Å; F405-L488 HydrophobicContact CZ-CD1 4.27Å
406	K	89.4	Confident	63.5	Low	30 Å²	30	54.1 Å²	54.1	13%	0.13	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	152.2	175.6	56.8	178	161.5	-134.9	0	112.2	I375 R376 N435 E459 C462	I375-K406 CarbonylContact C-O 3.58Å; I375-K406 WeakPolarHBondContact CA-O 3.39Å; R376-K406 HydrophobicContact CB-CG 4.45Å; R376-K406 PolarHBondContact N-O 3.37Å; R376-K406 PolarHBondContact O-N 3.28Å; K406-N435 WeakPolarHBondContact CB-OD1 3.5Å; K406-E459 PolarHBondContact NZ-O 3.22Å; K406-E459 IonicContact NZ-OE2 2.63Å; K406-E459 PolarHBondContact NZ-OE2 3.03Å; K406-C462 PolarHBondContact NZ-SG 2.79Å; K406-C462 VanDerWaalsContact NZ-SG 3.42Å
407	F	89.9	Confident	62.8	Low	2 Å²	2	55.9 Å²	55.9	1%	0.009	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	140.4	167.7	-179.8	-114.8	0	0	0	110.8	C374 L431 N435 M438 V492 M495 S496 M499	C374-F407 HydrophobicContact CB-CD2 4.28Å; C374-F407 HydrophobicContact CB-CE2 4.01Å; C374-F407 WeakPolarHBondContact O-CA 3.48Å; C374-F407 WeakPolarHBondContact O-CD2 3.3Å; F407-L431 HydrophobicContact CD1-CD2 3.84Å; F407-L431 HydrophobicContact CE1-CD2 4.07Å; F407-N435 WeakPolarHBondContact CB-OD1 3.3Å; F407-N435 PolarHBondContact N-OD1 3.43Å; F407-M438 HydrophobicContact CB-CE 3.87Å; F407-V492 HydrophobicContact CD2-CG1 4.45Å; F407-V492 HydrophobicContact CE2-CG1 4.23Å; F407-M495 HydrophobicContact CB-CE 3.97Å; F407-M495 HydrophobicContact CD1-CE 4.02Å; F407-M495 HydrophobicContact CE1-CB 4.26Å; F407-M495 HydrophobicContact CE2-CB 4.35Å; F407-M495 HydrophobicContact CG-CE 3.97Å; F407-M495 HydrophobicContact CZ-CB 4.16Å; F407-S496 WeakPolarHBondContact CE2-OG 3.28Å; F407-M499 HydrophobicContact CE1-CE 3.68Å; F407-M499 HydrophobicContact CE1-SD 4.33Å; F407-M499 HydrophobicContact CZ-CE 4.09Å
408	S	84	Confident	61.6	Low	11 Å²	11	57.9 Å²	57.9	8%	0.077	41%	0.405	C	S	.	.			trans	-156.7	144.2	170.9	73.6	0	0	0	0	110.3	C374 R376	C374-S408 CarbonylContact C-O 3.49Å; C374-S408 WeakPolarHBondContact CA-O 3.46Å; C374-S408 PolarHBondContact O-N 3.12Å; C374-S408 VanDerWaalsContact O-O 3.06Å; R376-S408 VanDerWaalsContact CD-OG 3.26Å; R376-S408 WeakPolarHBondContact CD-OG 3.43Å; R376-S408 VanDerWaalsContact CG-OG 3.3Å; R376-S408 WeakPolarHBondContact CG-OG 3.41Å; R376-S408 PolarHBondContact NE-OG 2.78Å
409	Q	76.9	Confident	60.7	Low	59 Å²	59	58.8 Å²	58.8	28%	0.276	42%	0.422	S	S	.	.			trans	-120.9	122.5	173.5	-161.5	172.9	-37.6	0	0	108.2	S411 M499 N500	Q409-S411 PolarHBondContact O-N 3.47Å; Q409-S411 VanDerWaalsContact O-N 3.16Å; Q409-M499 HydrophobicContact CB-CE 3.41Å; Q409-M499 VanDerWaalsContact CB-CE 3.41Å; Q409-M499 HydrophobicContact CG-CE 4.22Å; Q409-N500 PolarHBondContact NE2-OD1 3Å
410	E	58.9	Low	59.4	Low	129 Å²	129	62.5 Å²	62.5	60%	0.603	45%	0.446	S	S	*	.			trans	-70.2	107.7	166.8	-73.6	-172.8	168.5	0	0	107	K383 N412	K383-E410 IonicContact NZ-OE1 3.61Å; K383-E410 PolarHBondContact NZ-OE1 3.35Å; K383-E410 IonicContact NZ-OE2 2.78Å; E410-N412 PolarHBondContact O-N 2.86Å
411	S	46.5	Very low	57.5	Low	86 Å²	86	67.2 Å²	67.2	60%	0.601	47%	0.469	S	S	*	.			trans	-64	121.6	177.1	56.7	0	0	0	0	109.1	Q409 A413	Q409-S411 PolarHBondContact O-N 3.47Å; Q409-S411 VanDerWaalsContact O-N 3.16Å; S411-A413 PolarHBondContact O-N 3.34Å
412	N	35	Very low	55.1	Low	170 Å²	170	70.6 Å²	70.6	91%	0.909	50%	0.504	S	S	*	.			trans	-82.4	42.9	-168.8	-146.2	-6.2	0	0	0	112.2	E410 G414	E410-N412 PolarHBondContact O-N 2.86Å; N412-G414 PolarHBondContact O-N 3.36Å; N412-G414 VanDerWaalsContact O-N 3.14Å
413	A	33.3	Very low	52.9	Low	83 Å²	83	74.8 Å²	74.8	69%	0.686	53%	0.526	S	S	*	.			trans	-77	92.6	179.1	0	0	0	0	0	109.8	S411 G415	S411-A413 PolarHBondContact O-N 3.34Å; A413-G415 PolarHBondContact O-N 3.16Å
414	G	34.8	Very low	50.8	Low	90 Å²	90	78.3 Å²	78.3	93%	0.928	55%	0.55	S	S	*	.			trans	-63.4	86.2	-179	0	0	0	0	0	113.8	N412	N412-G414 PolarHBondContact O-N 3.36Å; N412-G414 VanDerWaalsContact O-N 3.14Å
415	G	29.9	Very low	49	Very low	67 Å²	67	85.3 Å²	85.3	69%	0.691	59%	0.593	S	S	*	*			trans	-128	133.9	178.6	0	0	0	0	0	112.4	A413 G417	A413-G415 PolarHBondContact O-N 3.16Å; G415-G417 PolarHBondContact O-N 3.33Å
416	S	31.9	Very low	47.9	Very low	129 Å²	129	85.5 Å²	85.5	90%	0.902	60%	0.595	S	S	*	*			trans	-82.5	103.2	-174.2	172.2	0	0	0	0	113.3
417	G	32.3	Very low	47.2	Very low	80 Å²	80	87.7 Å²	87.7	83%	0.825	61%	0.606	S	S	*	*			trans	60.5	91.2	144.2	0	0	0	0	0	117.8	G415	G415-G417 PolarHBondContact O-N 3.33Å
418	G	26.4	Very low	46.7	Very low	76 Å²	76	91.5 Å²	91.5	78%	0.784	62%	0.622	S	S	*	*			trans	-157.8	144.3	168.8	0	0	0	0	0	110.6
419	S	33.4	Very low	46.8	Very low	117 Å²	117	95.8 Å²	95.8	82%	0.818	64%	0.641	S	S	*	*			trans	-75.7	164.9	-176.4	-169.1	0	0	0	0	113.4
420	V	31.9	Very low	47.2	Very low	128 Å²	128	93.5 Å²	93.5	78%	0.776	63%	0.631	S	S	*	*	S	Bend	trans	82.6	141.8	173.1	-169.2	0	0	0	0	114.9	G422	V420-G422 PolarHBondContact O-N 2.97Å
421	D	35.8	Very low	48.6	Very low	132 Å²	132	88.8 Å²	88.8	71%	0.706	61%	0.61	S	S	*	*			trans	-50.4	123.8	175.8	-69.9	-76.2	0	0	0	112.5
422	G	31.3	Very low	50.6	Low	73 Å²	73	85.9 Å²	85.9	75%	0.753	59%	0.587	S	S	*	*			trans	-130.2	28.4	178.2	0	0	0	0	0	112.4	V420	V420-G422 PolarHBondContact O-N 2.97Å
423	L	42.7	Very low	53.2	Low	98 Å²	98	78.2 Å²	78.2	51%	0.513	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-58.9	141	161.3	-73	164	0	0	0	108.5	E427	L423-E427 WeakPolarHBondContact CA-OE2 3.49Å; L423-E427 HydrophobicContact CD2-CB 4.43Å; L423-E427 WeakPolarHBondContact CD2-OE2 3.39Å
424	C	44.8	Very low	56	Low	79 Å²	79	74.3 Å²	74.3	53%	0.534	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-66.4	145.3	177.2	-57	0	0	0	0	109.9	G426 E427	C424-G426 PolarHBondContact O-N 2.56Å; C424-G426 VanDerWaalsContact O-N 3.1Å; C424-E427 HydrophobicContact CB-CG 3.89Å; C424-E427 PolarHBondContact N-OE2 2.85Å; C424-E427 WeakPolarHBondContact O-CB 3.13Å; C424-E427 PolarHBondContact O-N 3.16Å; C424-E427 PolarHBondContact SG-OE1 2.78Å
425	V	50.9	Low	58.7	Low	151 Å²	151	70.1 Å²	70.1	92%	0.915	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	118.7	175.7	-177.9	0	0	0	0	108.4
426	G	66.2	Low	61.7	Low	6 Å²	6	70.4 Å²	70.4	6%	0.062	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.8	-20.1	-173.2	0	0	0	0	0	116	C424 K428 E429 V430	C424-G426 PolarHBondContact O-N 2.56Å; C424-G426 VanDerWaalsContact O-N 3.1Å; G426-K428 VanDerWaalsContact C-N 3.33Å; G426-K428 PolarHBondContact O-N 2.86Å; G426-E429 PolarHBondContact O-N 2.84Å; G426-V430 WeakPolarHBondContact O-CG2 3.49Å; G426-V430 PolarHBondContact O-N 3.26Å
427	E	74.4	Confident	64.6	Low	75 Å²	75	66.4 Å²	66.4	35%	0.35	42%	0.416	S	S	.	.	H	α-helix	trans	-63.8	-36.2	-180	-80.1	175.6	170.8	0	0	112.7	L423 C424 L431	L423-E427 WeakPolarHBondContact CA-OE2 3.49Å; L423-E427 HydrophobicContact CD2-CB 4.43Å; L423-E427 WeakPolarHBondContact CD2-OE2 3.39Å; C424-E427 HydrophobicContact CB-CG 3.89Å; C424-E427 PolarHBondContact N-OE2 2.85Å; C424-E427 WeakPolarHBondContact O-CB 3.13Å; C424-E427 PolarHBondContact O-N 3.16Å; C424-E427 PolarHBondContact SG-OE1 2.78Å; E427-L431 WeakPolarHBondContact O-CB 3.24Å; E427-L431 WeakPolarHBondContact O-CG 3.35Å; E427-L431 PolarHBondContact O-N 3.03Å
428	K	80.3	Confident	67.6	Low	82 Å²	82	62.6 Å²	62.6	36%	0.357	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-43.9	174.1	-175.3	-179.6	173.3	-175.5	0	111.4	G426 V430 L431 D432 D458	G426-K428 VanDerWaalsContact C-N 3.33Å; G426-K428 PolarHBondContact O-N 2.86Å; K428-V430 VanDerWaalsContact C-N 3.34Å; K428-V430 PolarHBondContact O-N 3.24Å; K428-L431 PolarHBondContact O-N 2.98Å; K428-D432 WeakPolarHBondContact CE-OD2 3.25Å; K428-D432 WeakPolarHBondContact O-CB 3.47Å; K428-D432 VanDerWaalsContact O-CG 3.26Å; K428-D432 PolarHBondContact O-N 3.42Å; K428-D458 PolarHBondContact NZ-O 2.86Å
429	E	85.3	Confident	70.7	Confident	101 Å²	101	59 Å²	59	47%	0.472	34%	0.34	S	S	.	.	H	α-helix	trans	-66.4	-36.5	-177.6	-67.9	153.6	-128.9	0	0	111.9	G426 T433 L522	G426-E429 PolarHBondContact O-N 2.84Å; E429-T433 WeakPolarHBondContact O-CB 3.48Å; E429-T433 PolarHBondContact O-N 3.43Å; E429-T433 PolarHBondContact O-OG1 2.92Å; E429-L522 HydrophobicContact CB-CB 4.28Å; E429-L522 VanDerWaalsContact OE2-CD1 3.31Å; E429-L522 WeakPolarHBondContact OE2-CD1 3.27Å
430	V	85.8	Confident	73.5	Confident	12 Å²	12	57.7 Å²	57.7	7%	0.073	32%	0.321	C	S	.	.	H	α-helix	trans	-65.8	-48.6	170.1	175.4	0	0	0	0	110.8	G426 K428 D432 T433 F434 L522	G426-V430 WeakPolarHBondContact O-CG2 3.49Å; G426-V430 PolarHBondContact O-N 3.26Å; K428-V430 VanDerWaalsContact C-N 3.34Å; K428-V430 PolarHBondContact O-N 3.24Å; V430-D432 VanDerWaalsContact C-N 3.33Å; V430-D432 PolarHBondContact O-N 3.05Å; V430-T433 WeakPolarHBondContact O-CB 3.5Å; V430-T433 PolarHBondContact O-N 3.15Å; V430-F434 HydrophobicContact CG1-CD2 3.77Å; V430-F434 HydrophobicContact CG1-CE2 3.67Å; V430-F434 VanDerWaalsContact O-CD2 3.25Å; V430-F434 WeakPolarHBondContact O-CD2 3.49Å; V430-F434 PolarHBondContact O-N 2.92Å; V430-L522 HydrophobicContact CG2-CB 4.46Å; V430-L522 HydrophobicContact CG2-CD2 3.81Å
431	L	87.3	Confident	76.4	Confident	30 Å²	30	53.9 Å²	53.9	16%	0.157	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-43.4	177.3	-78.7	169.6	0	0	0	112.4	F407 E427 K428 T433 F434 N435 M499	F407-L431 HydrophobicContact CD1-CD2 3.84Å; F407-L431 HydrophobicContact CE1-CD2 4.07Å; E427-L431 WeakPolarHBondContact O-CB 3.24Å; E427-L431 WeakPolarHBondContact O-CG 3.35Å; E427-L431 PolarHBondContact O-N 3.03Å; K428-L431 PolarHBondContact O-N 2.98Å; L431-T433 VanDerWaalsContact C-N 3.32Å; L431-T433 PolarHBondContact O-N 3.44Å; L431-F434 WeakPolarHBondContact O-CB 3.43Å; L431-F434 PolarHBondContact O-N 3.01Å; L431-N435 VanDerWaalsContact O-CG 3.23Å; L431-N435 PolarHBondContact O-N 2.88Å; L431-N435 PolarHBondContact O-ND2 3.46Å; L431-M499 HydrophobicContact CD2-CE 3.98Å; L431-M499 HydrophobicContact CD2-SD 3.71Å; L431-M499 HydrophobicContact CG-SD 4.26Å
432	D	89.6	Confident	79.2	Confident	24 Å²	24	47.6 Å²	47.6	13%	0.128	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-40.4	177	-75.7	-20	0	0	0	111.7	K428 V430 N435 R436 G460 T461	K428-D432 WeakPolarHBondContact CE-OD2 3.25Å; K428-D432 WeakPolarHBondContact O-CB 3.47Å; K428-D432 VanDerWaalsContact O-CG 3.26Å; K428-D432 PolarHBondContact O-N 3.42Å; V430-D432 VanDerWaalsContact C-N 3.33Å; V430-D432 PolarHBondContact O-N 3.05Å; D432-N435 WeakPolarHBondContact O-CB 3.49Å; D432-N435 PolarHBondContact O-N 3.38Å; D432-R436 PolarHBondContact O-N 3.1Å; D432-G460 VanDerWaalsContact OD1-CA 3.29Å; D432-G460 WeakPolarHBondContact OD1-CA 3.03Å; D432-G460 WeakPolarHBondContact OD2-CA 3.29Å; D432-T461 VanDerWaalsContact CG-N 3.29Å; D432-T461 WeakPolarHBondContact O-CB 3.35Å; D432-T461 PolarHBondContact OD1-N 3.16Å
433	T	89.7	Confident	82.1	Confident	10 Å²	10	45.9 Å²	45.9	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-42.9	173.4	-65.4	0	0	0	0	112.7	E429 V430 L431 N435 R436 W437 L522 S523 P525	E429-T433 WeakPolarHBondContact O-CB 3.48Å; E429-T433 PolarHBondContact O-N 3.43Å; E429-T433 PolarHBondContact O-OG1 2.92Å; V430-T433 WeakPolarHBondContact O-CB 3.5Å; V430-T433 PolarHBondContact O-N 3.15Å; L431-T433 VanDerWaalsContact C-N 3.32Å; L431-T433 PolarHBondContact O-N 3.44Å; T433-N435 VanDerWaalsContact C-N 3.28Å; T433-N435 PolarHBondContact O-N 3.5Å; T433-R436 PolarHBondContact O-N 3.01Å; T433-W437 PolarHBondContact O-N 2.87Å; T433-W437 VanDerWaalsContact O-N 3.1Å; T433-L522 PolarHBondContact OG1-O 3.4Å; T433-S523 VanDerWaalsContact CG2-C 3.41Å; T433-S523 WeakPolarHBondContact CG2-O 3.49Å; T433-P525 HydrophobicContact CG2-CB 3.91Å; T433-P525 HydrophobicContact CG2-CG 4.28Å
434	F	90.8	Very high	84.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-35.5	172.8	-89.6	-113.4	0	0	0	111.7	V430 L431 M438 M495 T498 M585	V430-F434 HydrophobicContact CG1-CD2 3.77Å; V430-F434 HydrophobicContact CG1-CE2 3.67Å; V430-F434 VanDerWaalsContact O-CD2 3.25Å; V430-F434 WeakPolarHBondContact O-CD2 3.49Å; V430-F434 PolarHBondContact O-N 2.92Å; L431-F434 WeakPolarHBondContact O-CB 3.43Å; L431-F434 PolarHBondContact O-N 3.01Å; F434-M438 WeakPolarHBondContact O-CB 3.26Å; F434-M438 PolarHBondContact O-N 3.03Å; F434-M495 HydrophobicContact CB-CE 3.68Å; F434-M495 HydrophobicContact CD1-CB 3.89Å; F434-M495 HydrophobicContact CD1-CE 3.78Å; F434-M495 HydrophobicContact CD1-CG 4.03Å; F434-M495 HydrophobicContact CE1-CB 4.15Å; F434-M495 HydrophobicContact CE1-CG 4.46Å; F434-M495 WeakPolarHBondContact CE1-O 3.23Å; F434-M495 HydrophobicContact CG-CE 4.22Å; F434-M495 WeakPolarHBondContact O-CE 3.46Å; F434-T498 HydrophobicContact CE1-CG2 4.29Å; F434-T498 HydrophobicContact CZ-CG2 3.81Å; F434-M585 HydrophobicContact CD1-CE 3.66Å; F434-M585 HydrophobicContact CD1-SD 4.3Å; F434-M585 HydrophobicContact CE1-CE 3.57Å; F434-M585 HydrophobicContact CE1-SD 3.61Å; F434-M585 HydrophobicContact CG-CE 4.2Å; F434-M585 HydrophobicContact CZ-CE 4.04Å; F434-M585 HydrophobicContact CZ-SD 3.96Å
435	N	92.8	Very high	86.7	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.011	24%	0.239	C	C	.	.	H	α-helix	trans	-69.6	-40.3	175.6	-71.4	-42	0	0	0	113	K406 F407 L431 D432 T433 M438 G439 T461 V463	K406-N435 WeakPolarHBondContact CB-OD1 3.5Å; F407-N435 WeakPolarHBondContact CB-OD1 3.3Å; F407-N435 PolarHBondContact N-OD1 3.43Å; L431-N435 VanDerWaalsContact O-CG 3.23Å; L431-N435 PolarHBondContact O-N 2.88Å; L431-N435 PolarHBondContact O-ND2 3.46Å; D432-N435 WeakPolarHBondContact O-CB 3.49Å; D432-N435 PolarHBondContact O-N 3.38Å; T433-N435 VanDerWaalsContact C-N 3.28Å; T433-N435 PolarHBondContact O-N 3.5Å; N435-M438 PolarHBondContact O-N 2.97Å; N435-G439 PolarHBondContact O-N 3.43Å; N435-T461 HydrophobicContact CB-CG2 4.17Å; N435-T461 VanDerWaalsContact CB-O 3.29Å; N435-T461 WeakPolarHBondContact CB-O 3.17Å; N435-T461 PolarHBondContact ND2-O 2.87Å; N435-V463 WeakPolarHBondContact O-CG2 3.37Å
436	R	93.1	Very high	88.7	Confident	73 Å²	73	40.4 Å²	40.4	28%	0.275	20%	0.196	S	C	.	.	H	α-helix	trans	-57.5	-54.3	173.5	-171.9	174	-60.1	97.7	1.7	110.6	D432 T433 M438 G439 E440 V453 E455 T461	D432-R436 PolarHBondContact O-N 3.1Å; T433-R436 PolarHBondContact O-N 3.01Å; R436-M438 PolarHBondContact O-N 3.34Å; R436-G439 PolarHBondContact O-N 3.14Å; R436-G439 VanDerWaalsContact O-N 3.14Å; R436-E440 VanDerWaalsContact CG-OE1 3.26Å; R436-E440 WeakPolarHBondContact CG-OE1 3.42Å; R436-E440 WeakPolarHBondContact O-CG 3.19Å; R436-E440 PolarHBondContact O-N 2.9Å; R436-V453 HydrophobicContact CG-CG1 4.37Å; R436-E455 IonicContact CZ-OE1 3.88Å; R436-E455 IonicContact NE-OE1 3.21Å; R436-E455 IonicContact NH2-OE1 2.75Å; R436-E455 PolarHBondContact NH2-OE1 3.37Å; R436-T461 HydrophobicContact CB-CG2 4.09Å; R436-T461 PolarHBondContact NH2-OG1 2.94Å
437	W	92.5	Very high	89.8	Confident	46 Å²	46	44.1 Å²	44.1	17%	0.174	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-42.6	177.6	-179.4	85.4	0	0	0	112.7	T433 G439 E440 Q441 L491 M494 M495 P525 M585	T433-W437 PolarHBondContact O-N 2.87Å; T433-W437 VanDerWaalsContact O-N 3.1Å; W437-G439 PolarHBondContact O-N 3.4Å; W437-E440 PolarHBondContact O-N 3.45Å; W437-Q441 HydrophobicContact CD2-CG 3.92Å; W437-Q441 HydrophobicContact CE3-CG 4.35Å; W437-Q441 HydrophobicContact CG-CG 4.4Å; W437-Q441 HydrophobicContact CH2-CG 4.29Å; W437-Q441 HydrophobicContact CZ2-CG 3.82Å; W437-Q441 WeakPolarHBondContact O-CB 3.35Å; W437-Q441 VanDerWaalsContact O-CG 3.3Å; W437-Q441 WeakPolarHBondContact O-CG 3.5Å; W437-Q441 PolarHBondContact O-N 3.03Å; W437-L491 HydrophobicContact CH2-CD2 3.67Å; W437-L491 HydrophobicContact CZ3-CD2 3.92Å; W437-M494 HydrophobicContact CH2-SD 4.23Å; W437-M495 HydrophobicContact CE3-CG 4.34Å; W437-M495 HydrophobicContact CE3-SD 4.21Å; W437-M495 HydrophobicContact CZ3-CG 3.85Å; W437-M495 HydrophobicContact CZ3-SD 3.98Å; W437-P525 HydrophobicContact CB-CB 3.61Å; W437-P525 HydrophobicContact CB-CG 4.01Å; W437-P525 HydrophobicContact CG-CB 3.79Å; W437-P525 HydrophobicContact CG-CG 4.06Å; W437-M585 HydrophobicContact CD2-CE 3.69Å; W437-M585 HydrophobicContact CE3-CE 3.5Å; W437-M585 HydrophobicContact CG-CE 4.27Å; W437-M585 HydrophobicContact CH2-CE 4.23Å; W437-M585 HydrophobicContact CH2-CG 3.82Å; W437-M585 HydrophobicContact CZ2-CE 4.41Å; W437-M585 HydrophobicContact CZ2-CG 3.8Å; W437-M585 HydrophobicContact CZ3-CE 3.79Å; W437-M585 HydrophobicContact CZ3-CG 4.29Å
438	M	93.9	Very high	90.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-48.6	174.8	175.4	-171.6	-80.3	0	0	111.7	I375 F405 F407 F434 N435 R436 Q441 L442 V463 L488 V492 M495	I375-M438 HydrophobicContact CD1-CE 3.82Å; I375-M438 HydrophobicContact CD1-SD 4.31Å; F405-M438 HydrophobicContact CE2-SD 4.19Å; F407-M438 HydrophobicContact CB-CE 3.87Å; F434-M438 WeakPolarHBondContact O-CB 3.26Å; F434-M438 PolarHBondContact O-N 3.03Å; N435-M438 PolarHBondContact O-N 2.97Å; R436-M438 PolarHBondContact O-N 3.34Å; M438-Q441 PolarHBondContact O-N 3.19Å; M438-L442 HydrophobicContact CG-CD1 3.89Å; M438-L442 HydrophobicContact CG-CG 4.44Å; M438-L442 WeakPolarHBondContact O-CB 3.4Å; M438-L442 VanDerWaalsContact O-CG 3.25Å; M438-L442 WeakPolarHBondContact O-CG 3.49Å; M438-L442 PolarHBondContact O-N 3.22Å; M438-V463 HydrophobicContact CB-CG2 4.42Å; M438-V463 HydrophobicContact CG-CG2 4.24Å; M438-V463 HydrophobicContact SD-CG2 4.16Å; M438-L488 HydrophobicContact CE-CD2 3.69Å; M438-L488 HydrophobicContact CG-CD2 4.09Å; M438-L488 HydrophobicContact SD-CD2 3.47Å; M438-L488 WeakPolarHBondContact SD-CD2 3.34Å; M438-V492 HydrophobicContact CE-CG2 3.83Å; M438-M495 HydrophobicContact CB-CE 3.97Å; M438-M495 HydrophobicContact CB-SD 4.15Å; M438-M495 HydrophobicContact CE-CE 3.8Å; M438-M495 HydrophobicContact CE-SD 3.47Å; M438-M495 WeakPolarHBondContact CE-SD 3.35Å
439	G	92	Very high	91	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-40.6	-178.7	0	0	0	0	0	112.8	N435 R436 W437 L442 A443	N435-G439 PolarHBondContact O-N 3.43Å; R436-G439 PolarHBondContact O-N 3.14Å; R436-G439 VanDerWaalsContact O-N 3.14Å; W437-G439 PolarHBondContact O-N 3.4Å; G439-L442 PolarHBondContact O-N 2.78Å; G439-A443 WeakPolarHBondContact O-CB 3.31Å; G439-A443 PolarHBondContact O-N 3.03Å
440	E	92.8	Very high	91.2	Very high	89 Å²	89	34.1 Å²	34.1	42%	0.416	18%	0.183	S	C	.	.	H	α-helix	trans	-62.7	-45.8	174.7	-71.2	163.5	174.8	0	0	111.9	R436 W437 A443 Q444 V453	R436-E440 VanDerWaalsContact CG-OE1 3.26Å; R436-E440 WeakPolarHBondContact CG-OE1 3.42Å; R436-E440 WeakPolarHBondContact O-CG 3.19Å; R436-E440 PolarHBondContact O-N 2.9Å; W437-E440 PolarHBondContact O-N 3.45Å; E440-A443 PolarHBondContact O-N 2.91Å; E440-Q444 VanDerWaalsContact O-CG 3.31Å; E440-Q444 WeakPolarHBondContact O-CG 3.3Å; E440-Q444 PolarHBondContact O-N 3.47Å; E440-V453 HydrophobicContact CG-CG2 4.46Å
441	Q	92.4	Very high	91.6	Very high	48 Å²	48	33.9 Å²	33.9	22%	0.224	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-39.2	175.5	-71	-56.5	-77.1	0	0	112.2	W437 M438 Q444 L445 L491	W437-Q441 HydrophobicContact CD2-CG 3.92Å; W437-Q441 HydrophobicContact CE3-CG 4.35Å; W437-Q441 HydrophobicContact CG-CG 4.4Å; W437-Q441 HydrophobicContact CH2-CG 4.29Å; W437-Q441 HydrophobicContact CZ2-CG 3.82Å; W437-Q441 WeakPolarHBondContact O-CB 3.35Å; W437-Q441 VanDerWaalsContact O-CG 3.3Å; W437-Q441 WeakPolarHBondContact O-CG 3.5Å; W437-Q441 PolarHBondContact O-N 3.03Å; M438-Q441 PolarHBondContact O-N 3.19Å; Q441-Q444 PolarHBondContact O-N 3.23Å; Q441-L445 HydrophobicContact CB-CD1 4.5Å; Q441-L445 VanDerWaalsContact O-CB 3.22Å; Q441-L445 WeakPolarHBondContact O-CB 3.33Å; Q441-L445 WeakPolarHBondContact O-CD1 3.4Å; Q441-L445 WeakPolarHBondContact O-CG 3.46Å; Q441-L445 PolarHBondContact O-N 2.9Å; Q441-L491 HydrophobicContact CB-CD1 4.2Å
442	L	93.9	Very high	91.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-38.3	175.4	-70.8	171.9	0	0	0	112.5	F405 M438 G439 Q444 V446 V451 V463 V484 K487 L488 L491	F405-L442 HydrophobicContact CE2-CD1 4.11Å; F405-L442 HydrophobicContact CZ-CD1 4.07Å; M438-L442 HydrophobicContact CG-CD1 3.89Å; M438-L442 HydrophobicContact CG-CG 4.44Å; M438-L442 WeakPolarHBondContact O-CB 3.4Å; M438-L442 VanDerWaalsContact O-CG 3.25Å; M438-L442 WeakPolarHBondContact O-CG 3.49Å; M438-L442 PolarHBondContact O-N 3.22Å; G439-L442 PolarHBondContact O-N 2.78Å; L442-Q444 VanDerWaalsContact C-N 3.35Å; L442-V446 PolarHBondContact O-N 2.87Å; L442-V451 HydrophobicContact CB-CG1 4.14Å; L442-V463 HydrophobicContact CD1-CG1 4.4Å; L442-V484 HydrophobicContact CD2-CG1 4.38Å; L442-K487 HydrophobicContact CD2-CB 3.75Å; L442-L488 HydrophobicContact CD1-CD1 4.5Å; L442-L488 HydrophobicContact CD1-CD2 3.87Å; L442-L488 HydrophobicContact CD1-CG 4.01Å; L442-L488 HydrophobicContact CD2-CG 4.24Å; L442-L491 HydrophobicContact CD2-CD1 4.18Å; L442-L491 HydrophobicContact CG-CD1 4.38Å
443	A	92.2	Very high	91.9	Very high	36 Å²	36	36.1 Å²	36.1	30%	0.298	20%	0.195	S	C	.	.	H	α-helix	trans	-66.6	-34.5	175.3	0	0	0	0	0	112.6	G439 E440 P447	G439-A443 WeakPolarHBondContact O-CB 3.31Å; G439-A443 PolarHBondContact O-N 3.03Å; E440-A443 PolarHBondContact O-N 2.91Å; A443-P447 WeakPolarHBondContact O-CA 3.2Å
444	Q	92.3	Very high	91.9	Very high	132 Å²	132	36.3 Å²	36.3	62%	0.617	20%	0.196	S	C	*	.	H	α-helix	trans	-75.4	-43	174.6	-71	173.3	10.1	0	0	112.8	E440 Q441 L442 P447	E440-Q444 VanDerWaalsContact O-CG 3.31Å; E440-Q444 WeakPolarHBondContact O-CG 3.3Å; E440-Q444 PolarHBondContact O-N 3.47Å; Q441-Q444 PolarHBondContact O-N 3.23Å; L442-Q444 VanDerWaalsContact C-N 3.35Å; Q444-P447 WeakPolarHBondContact O-CD 3.37Å; Q444-P447 WeakPolarHBondContact O-CG 3.49Å
445	L	92.8	Very high	91.8	Very high	78 Å²	78	42.1 Å²	42.1	41%	0.408	22%	0.223	S	C	.	.	H	α-helix	trans	-77.2	-33.6	-175.9	-70	169.6	0	0	0	113.1	Q441 K487 L491	Q441-L445 HydrophobicContact CB-CD1 4.5Å; Q441-L445 VanDerWaalsContact O-CB 3.22Å; Q441-L445 WeakPolarHBondContact O-CB 3.33Å; Q441-L445 WeakPolarHBondContact O-CD1 3.4Å; Q441-L445 WeakPolarHBondContact O-CG 3.46Å; Q441-L445 PolarHBondContact O-N 2.9Å; L445-K487 HydrophobicContact CB-CG 4.27Å; L445-K487 HydrophobicContact CD1-CB 4.4Å; L445-K487 HydrophobicContact CD1-CD 4.43Å; L445-K487 HydrophobicContact CD1-CG 4.26Å; L445-L491 HydrophobicContact CD1-CD1 4.5Å
446	V	92.9	Very high	91.3	Very high	4 Å²	4	43 Å²	43	2%	0.024	23%	0.228	C	C	.	.			trans	-131	69.8	177.6	-163.4	0	0	0	0	110.6	L442 A448 S449 D480 E483 V484 K487	L442-V446 PolarHBondContact O-N 2.87Å; V446-A448 PolarHBondContact O-N 3.06Å; V446-A448 VanDerWaalsContact O-N 3.14Å; V446-S449 VanDerWaalsContact O-CB 3.3Å; V446-S449 WeakPolarHBondContact O-CB 2.82Å; V446-S449 PolarHBondContact O-N 3.4Å; V446-S449 PolarHBondContact O-OG 2.82Å; V446-D480 HydrophobicContact CG1-CB 4.25Å; V446-E483 HydrophobicContact CG1-CB 4.37Å; V446-E483 HydrophobicContact CG2-CB 4.2Å; V446-E483 HydrophobicContact CG2-CG 3.79Å; V446-V484 HydrophobicContact CB-CG2 3.9Å; V446-V484 HydrophobicContact CG1-CG2 4.04Å; V446-V484 HydrophobicContact CG2-CG2 4.1Å; V446-K487 HydrophobicContact CG2-CG 4.14Å
447	P	90.1	Very high	90.4	Very high	84 Å²	84	47.8 Å²	47.8	55%	0.545	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-59.1	-30.6	-175.8	-24.4	34.8	0	0	0	113.6	A443 Q444 S449 G450	A443-P447 WeakPolarHBondContact O-CA 3.2Å; Q444-P447 WeakPolarHBondContact O-CD 3.37Å; Q444-P447 WeakPolarHBondContact O-CG 3.49Å; P447-S449 PolarHBondContact O-N 3.45Å; P447-G450 PolarHBondContact O-N 3.2Å
448	A	89.9	Confident	89.3	Confident	34 Å²	34	49.7 Å²	49.7	28%	0.281	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-62.2	-20.7	176.8	0	0	0	0	0	113.7	V446 T476 D480	V446-A448 PolarHBondContact O-N 3.06Å; V446-A448 VanDerWaalsContact O-N 3.14Å; A448-T476 WeakPolarHBondContact O-CB 3.47Å; A448-T476 WeakPolarHBondContact O-CG2 3.45Å; A448-T476 PolarHBondContact O-OG1 3.26Å; A448-D480 HydrophobicContact CB-CB 4.44Å; A448-D480 WeakPolarHBondContact CB-OD1 3.42Å
449	S	89.9	Confident	88.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-69.6	-32.3	177.9	69.8	0	0	0	0	113.3	V446 P447 V451 F465	V446-S449 VanDerWaalsContact O-CB 3.3Å; V446-S449 WeakPolarHBondContact O-CB 2.82Å; V446-S449 PolarHBondContact O-N 3.4Å; V446-S449 PolarHBondContact O-OG 2.82Å; P447-S449 PolarHBondContact O-N 3.45Å; S449-V451 VanDerWaalsContact C-N 3.26Å; S449-V451 PolarHBondContact O-N 2.98Å; S449-V451 WeakPolarHBondContact OG-CG2 3.31Å; S449-V451 PolarHBondContact OG-N 2.87Å; S449-F465 WeakPolarHBondContact O-CE2 3.42Å
450	G	89.4	Confident	87.9	Confident	13 Å²	13	52.5 Å²	52.5	13%	0.134	28%	0.281	C	S	.	.			trans	58.8	37.2	-170.1	0	0	0	0	0	113.3	P447 L474	P447-G450 PolarHBondContact O-N 3.2Å; G450-L474 VanDerWaalsContact CA-CD1 3.4Å
451	V	93.2	Very high	87.7	Confident	8 Å²	8	48.4 Å²	48.4	5%	0.048	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	141.1	165.6	166.2	0	0	0	0	109.8	L442 S449 V463 R464 F465 V484	L442-V451 HydrophobicContact CB-CG1 4.14Å; S449-V451 VanDerWaalsContact C-N 3.26Å; S449-V451 PolarHBondContact O-N 2.98Å; S449-V451 WeakPolarHBondContact OG-CG2 3.31Å; S449-V451 PolarHBondContact OG-N 2.87Å; V451-V463 HydrophobicContact CG1-CG1 3.32Å; V451-R464 WeakPolarHBondContact CA-O 3.2Å; V451-F465 HydrophobicContact CG2-CB 4.34Å; V451-F465 HydrophobicContact CG2-CD2 3.89Å; V451-V484 HydrophobicContact CG2-CG2 4.42Å
452	D	92.3	Very high	87.6	Confident	57 Å²	57	46.2 Å²	46.2	31%	0.305	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	171.4	175.6	69.6	-28.2	0	0	0	113	R464	D452-R464 PolarHBondContact N-O 3.22Å; D452-R464 PolarHBondContact O-N 2.82Å; D452-R464 WeakPolarHBondContact OD1-CB 3.42Å; D452-R464 IonicContact OD1-CZ 2.69Å; D452-R464 IonicContact OD1-NE 3.84Å; D452-R464 PolarHBondContact OD1-NE 2.96Å; D452-R464 IonicContact OD1-NH2 3.6Å; D452-R464 IonicContact OD2-CZ 3.45Å; D452-R464 IonicContact OD2-NE 2.65Å; D452-R464 PolarHBondContact OD2-NE 3.42Å; D452-R464 IonicContact OD2-NH2 3.49Å; D452-R464 PolarHBondContact OD2-NH2 2.92Å
453	V	92.1	Very high	87.5	Confident	44 Å²	44	46.2 Å²	46.2	27%	0.267	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.7	-179.8	178.2	0	0	0	0	109.8	R436 E440 T461	R436-V453 HydrophobicContact CG-CG1 4.37Å; E440-V453 HydrophobicContact CG-CG2 4.46Å; V453-T461 HydrophobicContact CG1-CG2 3.46Å; V453-T461 VanDerWaalsContact CG1-CG2 3.46Å
454	V	89.7	Confident	87.5	Confident	13 Å²	13	46.3 Å²	46.3	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.8	174.1	-62.8	0	0	0	0	111.3	E244 L404 C462 R464	E244-V454 HydrophobicContact CB-CB 4.06Å; E244-V454 HydrophobicContact CB-CG1 4.26Å; E244-V454 HydrophobicContact CB-CG2 4.22Å; E244-V454 HydrophobicContact CG-CB 4.19Å; E244-V454 HydrophobicContact CG-CG1 4.41Å; L404-V454 HydrophobicContact CD2-CG2 3.78Å; V454-C462 HydrophobicContact CG2-CB 4.16Å; V454-C462 PolarHBondContact N-O 2.82Å; V454-C462 PolarHBondContact O-N 3.24Å; V454-R464 HydrophobicContact CG1-CB 4.2Å; V454-R464 HydrophobicContact CG2-CB 4.09Å
455	E	87.7	Confident	87.6	Confident	122 Å²	122	40 Å²	40	57%	0.57	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.8	177.7	-61.5	-176.9	170	0	0	109.7	R436	R436-E455 IonicContact CZ-OE1 3.88Å; R436-E455 IonicContact NE-OE1 3.21Å; R436-E455 IonicContact NH2-OE1 2.75Å; R436-E455 PolarHBondContact NH2-OE1 3.37Å
456	L	81.7	Confident	87.6	Confident	20 Å²	20	36.5 Å²	36.5	11%	0.105	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.9	-177.6	-60.9	177.8	0	0	0	110.1	E244 A245 L404 D458 E459 G460	E244-L456 HydrophobicContact CB-CD2 3.61Å; E244-L456 HydrophobicContact CG-CD2 4.15Å; A245-L456 HydrophobicContact CB-CD2 4.27Å; L404-L456 HydrophobicContact CD1-CD1 3.73Å; L456-D458 PolarHBondContact O-N 2.69Å; L456-E459 HydrophobicContact CB-CB 3.8Å; L456-E459 HydrophobicContact CD1-CB 3.89Å; L456-E459 PolarHBondContact O-N 3.4Å; L456-G460 PolarHBondContact N-O 3.31Å; L456-G460 PolarHBondContact O-N 2.89Å
457	E	74.1	Confident	87.5	Confident	175 Å²	175	36.4 Å²	36.4	82%	0.818	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-54	-172.2	-61.4	-172.5	139.7	0	0	113.4
458	D	70.3	Confident	87.6	Confident	86 Å²	86	32.6 Å²	32.6	46%	0.46	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-41.3	176.6	-69.8	-43.2	0	0	0	112.3	T206 H212 K428 L456	T206-D458 WeakPolarHBondContact CG2-OD2 3.34Å; H212-D458 IonicContact CE1-OD2 2.72Å; H212-D458 IonicContact ND1-OD2 2.85Å; K428-D458 PolarHBondContact NZ-O 2.86Å; L456-D458 PolarHBondContact O-N 2.69Å
459	E	72.7	Confident	87.5	Confident	53 Å²	53	33.2 Å²	33.2	25%	0.248	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-14.6	-159.9	-98.4	-162	-107.5	0	0	115.4	H212 K406 L456	H212-E459 IonicContact CD2-OE1 3.59Å; H212-E459 PolarHBondContact CD2-OE1 2.66Å; H212-E459 IonicContact NE2-OE1 3.49Å; H212-E459 PolarHBondContact NE2-OE1 2.93Å; K406-E459 PolarHBondContact NZ-O 3.22Å; K406-E459 IonicContact NZ-OE2 2.63Å; K406-E459 PolarHBondContact NZ-OE2 3.03Å; L456-E459 HydrophobicContact CB-CB 3.8Å; L456-E459 HydrophobicContact CD1-CB 3.89Å; L456-E459 PolarHBondContact O-N 3.4Å
460	G	83.3	Confident	87.5	Confident	6 Å²	6	34.8 Å²	34.8	6%	0.062	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.2	-153.3	-175.7	0	0	0	0	0	113	D432 L456	D432-G460 VanDerWaalsContact OD1-CA 3.29Å; D432-G460 WeakPolarHBondContact OD1-CA 3.03Å; D432-G460 WeakPolarHBondContact OD2-CA 3.29Å; L456-G460 PolarHBondContact N-O 3.31Å; L456-G460 PolarHBondContact O-N 2.89Å
461	T	89.3	Confident	87.5	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.025	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.7	-178.6	-55.8	0	0	0	0	110.5	D432 N435 R436 V453	D432-T461 VanDerWaalsContact CG-N 3.29Å; D432-T461 WeakPolarHBondContact O-CB 3.35Å; D432-T461 PolarHBondContact OD1-N 3.16Å; N435-T461 HydrophobicContact CB-CG2 4.17Å; N435-T461 VanDerWaalsContact CB-O 3.29Å; N435-T461 WeakPolarHBondContact CB-O 3.17Å; N435-T461 PolarHBondContact ND2-O 2.87Å; R436-T461 HydrophobicContact CB-CG2 4.09Å; R436-T461 PolarHBondContact NH2-OG1 2.94Å; V453-T461 HydrophobicContact CG1-CG2 3.46Å; V453-T461 VanDerWaalsContact CG1-CG2 3.46Å
462	C	90.1	Very high	87.2	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.5	-179.9	-69.6	0	0	0	0	110.6	L404 K406 V454	L404-C462 HydrophobicContact CD2-CB 4.34Å; K406-C462 PolarHBondContact NZ-SG 2.79Å; K406-C462 VanDerWaalsContact NZ-SG 3.42Å; V454-C462 HydrophobicContact CG2-CB 4.16Å; V454-C462 PolarHBondContact N-O 2.82Å; V454-C462 PolarHBondContact O-N 3.24Å
463	V	92.6	Very high	86.8	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.9	167	-172.5	0	0	0	0	108.3	F405 N435 M438 L442 V451	F405-V463 HydrophobicContact CD1-CB 4.47Å; F405-V463 HydrophobicContact CD2-CB 4.02Å; F405-V463 HydrophobicContact CE1-CB 4.15Å; F405-V463 HydrophobicContact CE1-CG1 3.85Å; F405-V463 HydrophobicContact CE2-CB 3.65Å; F405-V463 HydrophobicContact CE2-CG1 3.69Å; F405-V463 HydrophobicContact CE2-CG2 4.21Å; F405-V463 HydrophobicContact CG-CB 4.42Å; F405-V463 HydrophobicContact CZ-CB 3.74Å; F405-V463 HydrophobicContact CZ-CG1 3.32Å; F405-V463 PolarHBondContact N-O 3.39Å; F405-V463 WeakPolarHBondContact O-CA 3.32Å; F405-V463 PolarHBondContact O-N 3.47Å; N435-V463 WeakPolarHBondContact O-CG2 3.37Å; M438-V463 HydrophobicContact CB-CG2 4.42Å; M438-V463 HydrophobicContact CG-CG2 4.24Å; M438-V463 HydrophobicContact SD-CG2 4.16Å; L442-V463 HydrophobicContact CD1-CG1 4.4Å; V451-V463 HydrophobicContact CG1-CG1 3.32Å
464	R	92.2	Very high	86.6	Confident	37 Å²	37	37.9 Å²	37.9	14%	0.14	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.9	-177.2	178.5	174	76.8	171.7	-3.6	111	P243 E244 V402 L404 V451 D452 V454	P243-R464 PolarHBondContact O-NH1 3.11Å; E244-R464 WeakPolarHBondContact O-CD 3.08Å; E244-R464 PolarHBondContact O-NH1 2.79Å; V402-R464 HydrophobicContact CG1-CG 4.04Å; L404-R464 HydrophobicContact CD2-CB 3.71Å; L404-R464 HydrophobicContact CD2-CG 3.94Å; V451-R464 WeakPolarHBondContact CA-O 3.2Å; D452-R464 PolarHBondContact N-O 3.22Å; D452-R464 PolarHBondContact O-N 2.82Å; D452-R464 WeakPolarHBondContact OD1-CB 3.42Å; D452-R464 IonicContact OD1-CZ 2.69Å; D452-R464 IonicContact OD1-NE 3.84Å; D452-R464 PolarHBondContact OD1-NE 2.96Å; D452-R464 IonicContact OD1-NH2 3.6Å; D452-R464 IonicContact OD2-CZ 3.45Å; D452-R464 IonicContact OD2-NE 2.65Å; D452-R464 PolarHBondContact OD2-NE 3.42Å; D452-R464 IonicContact OD2-NH2 3.49Å; D452-R464 PolarHBondContact OD2-NH2 2.92Å; V454-R464 HydrophobicContact CG1-CB 4.2Å; V454-R464 HydrophobicContact CG2-CB 4.09Å
465	F	93.1	Very high	86.5	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	113.2	168.3	177	-115.3	0	0	0	108.7	L361 L365 V402 V403 S449 V451 P467 V481	L361-F465 HydrophobicContact CB-CE1 4.15Å; L361-F465 HydrophobicContact CB-CZ 4.11Å; L365-F465 HydrophobicContact CB-CD1 4.18Å; L365-F465 HydrophobicContact CB-CE1 4.18Å; L365-F465 HydrophobicContact CD2-CB 3.61Å; L365-F465 HydrophobicContact CD2-CD1 3.34Å; L365-F465 HydrophobicContact CD2-CD2 4.41Å; L365-F465 HydrophobicContact CD2-CE1 4.04Å; L365-F465 HydrophobicContact CD2-CG 3.55Å; L365-F465 HydrophobicContact CG-CD1 4.39Å; V402-F465 WeakPolarHBondContact CA-O 3.25Å; V403-F465 HydrophobicContact CB-CB 4.41Å; V403-F465 HydrophobicContact CG2-CD1 4.41Å; V403-F465 PolarHBondContact N-O 3.15Å; V403-F465 PolarHBondContact O-N 3.08Å; S449-F465 WeakPolarHBondContact O-CE2 3.42Å; V451-F465 HydrophobicContact CG2-CB 4.34Å; V451-F465 HydrophobicContact CG2-CD2 3.89Å; F465-P467 HydrophobicContact CD1-CG 4.1Å; F465-P467 HydrophobicContact CE1-CB 4.17Å; F465-P467 HydrophobicContact CE1-CG 3.58Å; F465-P467 HydrophobicContact CE2-CB 4.33Å; F465-P467 HydrophobicContact CZ-CB 3.85Å; F465-P467 HydrophobicContact CZ-CG 3.81Å; F465-V481 HydrophobicContact CE1-CG2 4.24Å; F465-V481 HydrophobicContact CE2-CG2 4.3Å; F465-V481 HydrophobicContact CZ-CG2 3.59Å
466	S	92.1	Very high	86.7	Confident	4 Å²	4	33.3 Å²	33.3	3%	0.028	19%	0.188	C	C	.	.			trans	-126.2	74.9	178.1	-165.9	0	0	0	0	111.6	P401 L468 L469 T470	P401-S466 PolarHBondContact O-OG 2.95Å; S466-L468 PolarHBondContact O-N 3.45Å; S466-L469 PolarHBondContact O-N 3.22Å; S466-T470 PolarHBondContact O-N 2.99Å; S466-T470 PolarHBondContact O-OG1 2.99Å
467	P	92.1	Very high	87.3	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.013	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-16.5	-177.7	26.5	-36.8	0	0	0	113.5	A358 L361 S362 F465 L469 A471	A358-P467 HydrophobicContact CB-CB 4.3Å; A358-P467 HydrophobicContact CB-CG 4.33Å; A358-P467 VanDerWaalsContact O-CG 3.24Å; A358-P467 WeakPolarHBondContact O-CG 3.19Å; L361-P467 HydrophobicContact CB-CB 4.14Å; L361-P467 HydrophobicContact CB-CG 4.04Å; L361-P467 HydrophobicContact CD1-CB 3.9Å; S362-P467 WeakPolarHBondContact OG-CG 3.28Å; F465-P467 HydrophobicContact CD1-CG 4.1Å; F465-P467 HydrophobicContact CE1-CB 4.17Å; F465-P467 HydrophobicContact CE1-CG 3.58Å; F465-P467 HydrophobicContact CE2-CB 4.33Å; F465-P467 HydrophobicContact CZ-CB 3.85Å; F465-P467 HydrophobicContact CZ-CG 3.81Å; P467-L469 VanDerWaalsContact C-N 3.26Å; P467-L469 PolarHBondContact O-N 3.48Å; P467-A471 HydrophobicContact CB-CB 3.84Å; P467-A471 WeakPolarHBondContact O-CB 3.46Å; P467-A471 PolarHBondContact O-N 2.91Å
468	L	91.1	Very high	88.3	Confident	3 Å²	3	33 Å²	33	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-67.8	-26.2	171.4	177.6	65.5	0	0	0	112.8	V270 A273 W300 I355 A358 P401 S466	V270-L468 HydrophobicContact CB-CD2 4.29Å; V270-L468 WeakPolarHBondContact O-CD2 3.17Å; A273-L468 HydrophobicContact CB-CD1 3.95Å; A273-L468 HydrophobicContact CB-CD2 3.59Å; A273-L468 HydrophobicContact CB-CG 4.38Å; W300-L468 WeakPolarHBondContact CA-O 3.38Å; W300-L468 HydrophobicContact CB-CD1 3.89Å; W300-L468 HydrophobicContact CB-CG 4.41Å; W300-L468 HydrophobicContact CG-CD1 4.23Å; W300-L468 HydrophobicContact CG-CG 4.35Å; I355-L468 HydrophobicContact CG1-CD1 4.14Å; A358-L468 HydrophobicContact CB-CB 3.92Å; A358-L468 HydrophobicContact CB-CD1 4.36Å; P401-L468 HydrophobicContact CB-CB 3.79Å; P401-L468 HydrophobicContact CB-CD2 3.74Å; P401-L468 HydrophobicContact CB-CG 4.36Å; P401-L468 HydrophobicContact CG-CD2 3.69Å; S466-L468 PolarHBondContact O-N 3.45Å
469	L	89.3	Confident	89.5	Confident	48 Å²	48	35.3 Å²	35.3	25%	0.251	19%	0.194	S	C	.	.	H	α-helix	trans	-94.7	-29.1	176.7	-58	179	0	0	0	112.2	V270 R299 S466 P467	V270-L469 HydrophobicContact CG1-CD1 4.38Å; V270-L469 HydrophobicContact CG1-CD2 4.09Å; R299-L469 HydrophobicContact CB-CD2 3.83Å; S466-L469 PolarHBondContact O-N 3.22Å; P467-L469 VanDerWaalsContact C-N 3.26Å; P467-L469 PolarHBondContact O-N 3.48Å
470	T	89.8	Confident	90.5	Very high	32 Å²	32	34.3 Å²	34.3	20%	0.196	19%	0.19	C	C	.	.	H	α-helix	trans	-110.4	-44.9	-169.3	58.7	0	0	0	0	114.5	S466 A472 V473 L474	S466-T470 PolarHBondContact O-N 2.99Å; S466-T470 PolarHBondContact O-OG1 2.99Å; T470-A472 PolarHBondContact O-N 3.26Å; T470-A472 VanDerWaalsContact O-N 3.12Å; T470-V473 PolarHBondContact O-N 3.28Å; T470-L474 PolarHBondContact O-N 3.07Å
471	A	88.9	Confident	91.1	Very high	9 Å²	9	34 Å²	34	7%	0.074	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-26	-168.4	0	0	0	0	0	114.4	L361 P467 V473 G475 T476	L361-A471 HydrophobicContact CD1-CB 3.96Å; P467-A471 HydrophobicContact CB-CB 3.84Å; P467-A471 WeakPolarHBondContact O-CB 3.46Å; P467-A471 PolarHBondContact O-N 2.91Å; A471-V473 PolarHBondContact O-N 3.18Å; A471-G475 WeakPolarHBondContact O-CA 3.15Å; A471-G475 PolarHBondContact O-N 2.9Å; A471-T476 VanDerWaalsContact CA-OG1 3.28Å; A471-T476 WeakPolarHBondContact CA-OG1 3.5Å; A471-T476 WeakPolarHBondContact CB-OG1 3.5Å; A471-T476 PolarHBondContact O-N 3.16Å
472	A	86.2	Confident	91.3	Very high	32 Å²	32	37.1 Å²	37.1	26%	0.264	20%	0.204	S	C	.	.	H	α-helix	trans	-72.7	-14.4	175.5	0	0	0	0	0	114.1	T470	T470-A472 PolarHBondContact O-N 3.26Å; T470-A472 VanDerWaalsContact O-N 3.12Å
473	V	84.8	Confident	91.6	Very high	64 Å²	64	41 Å²	41	39%	0.388	22%	0.222	S	C	.	.	H	α-helix	trans	-108.2	-46	177.4	-178.4	0	0	0	0	110.8	T470 A471 G475	T470-V473 PolarHBondContact O-N 3.28Å; A471-V473 PolarHBondContact O-N 3.18Å; V473-G475 VanDerWaalsContact C-N 3.33Å
474	L	86.9	Confident	91.7	Very high	82 Å²	82	41.1 Å²	41.1	43%	0.429	22%	0.222	S	C	.	.	H	α-helix	trans	-77.7	-17.9	-179	-57.3	179.8	0	0	0	113.4	G450 T470	G450-L474 VanDerWaalsContact CA-CD1 3.4Å; T470-L474 PolarHBondContact O-N 3.07Å
475	G	88.1	Confident	91.8	Very high	40 Å²	40	39.9 Å²	39.9	41%	0.412	22%	0.219	S	C	.	.			trans	80.3	16.5	-178.6	0	0	0	0	0	114.7	A471 V473 Q477	A471-G475 WeakPolarHBondContact O-CA 3.15Å; A471-G475 PolarHBondContact O-N 2.9Å; V473-G475 VanDerWaalsContact C-N 3.33Å; G475-Q477 PolarHBondContact O-N 2.92Å; G475-Q477 PolarHBondContact O-NE2 3.46Å
476	T	91.7	Very high	91.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.			trans	-50.4	131.9	-173.2	-35.6	0	0	0	0	113.6	H357 L361 A448 A471 D480	H357-T476 PolarHBondContact NE2-O 3.28Å; L361-T476 HydrophobicContact CD1-CG2 4.22Å; A448-T476 WeakPolarHBondContact O-CB 3.47Å; A448-T476 WeakPolarHBondContact O-CG2 3.45Å; A448-T476 PolarHBondContact O-OG1 3.26Å; A471-T476 VanDerWaalsContact CA-OG1 3.28Å; A471-T476 WeakPolarHBondContact CA-OG1 3.5Å; A471-T476 WeakPolarHBondContact CB-OG1 3.5Å; A471-T476 PolarHBondContact O-N 3.16Å; T476-D480 WeakPolarHBondContact CA-OD2 3.3Å; T476-D480 HydrophobicContact CG2-CB 3.85Å
477	Q	94.6	Very high	92	Very high	92 Å²	92	46.4 Å²	46.4	43%	0.43	25%	0.248	S	C	.	.			trans	-115	-171.4	176.4	-55.2	-53.9	-42	0	0	111.3	H357 L361 G475 E479 D480	H357-Q477 PolarHBondContact CE1-OE1 3.07Å; L361-Q477 VanDerWaalsContact CD2-O 3.27Å; L361-Q477 WeakPolarHBondContact CD2-O 3.36Å; G475-Q477 PolarHBondContact O-N 2.92Å; G475-Q477 PolarHBondContact O-NE2 3.46Å; Q477-E479 VanDerWaalsContact C-N 3.33Å; Q477-E479 WeakPolarHBondContact CB-OE2 3.25Å; Q477-D480 PolarHBondContact N-OD2 3.23Å
478	Q	94.4	Very high	92	Very high	95 Å²	95	46.3 Å²	46.3	44%	0.444	25%	0.248	S	C	.	.	H	α-helix	trans	-76.2	-28	179.8	-68.6	-179.9	-2.9	0	0	111.2	L361 V481 D482	L361-Q478 HydrophobicContact CD2-CG 3.85Å; Q478-V481 PolarHBondContact O-N 2.98Å; Q478-D482 PolarHBondContact O-N 2.78Å; Q478-D482 VanDerWaalsContact O-OD1 3.13Å
479	E	95.4	Very high	92.1	Very high	135 Å²	135	51 Å²	51	63%	0.631	27%	0.273	S	S	*	.	H	α-helix	trans	-61.6	-42.1	176.5	-65.3	81.9	171.8	0	0	112	Q477 V481 D482 E483	Q477-E479 VanDerWaalsContact C-N 3.33Å; Q477-E479 WeakPolarHBondContact CB-OE2 3.25Å; E479-V481 VanDerWaalsContact C-N 3.32Å; E479-V481 PolarHBondContact O-N 3.21Å; E479-D482 WeakPolarHBondContact O-CB 3.38Å; E479-D482 PolarHBondContact O-N 3.31Å; E479-E483 PolarHBondContact O-N 3.48Å
480	D	95.2	Very high	92.2	Very high	32 Å²	32	53.1 Å²	53.1	17%	0.171	28%	0.281	C	S	.	.	H	α-helix	trans	-65.9	-35.9	176.2	-49.7	-65.7	0	0	0	111.6	V446 A448 T476 Q477 D482 E483 V484	V446-D480 HydrophobicContact CG1-CB 4.25Å; A448-D480 HydrophobicContact CB-CB 4.44Å; A448-D480 WeakPolarHBondContact CB-OD1 3.42Å; T476-D480 WeakPolarHBondContact CA-OD2 3.3Å; T476-D480 HydrophobicContact CG2-CB 3.85Å; Q477-D480 PolarHBondContact N-OD2 3.23Å; D480-D482 VanDerWaalsContact C-N 3.35Å; D480-E483 PolarHBondContact O-N 2.97Å; D480-V484 WeakPolarHBondContact O-CG2 3.41Å; D480-V484 PolarHBondContact O-N 3.48Å
481	V	94.8	Very high	92.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-70.5	-34.4	175.6	177.1	0	0	0	0	111.1	L361 L365 F465 Q478 E479 V485	L361-V481 HydrophobicContact CB-CG2 4.44Å; L361-V481 HydrophobicContact CD2-CG2 4.02Å; L365-V481 HydrophobicContact CB-CG1 3.69Å; L365-V481 HydrophobicContact CD1-CG1 4.06Å; L365-V481 HydrophobicContact CG-CG1 4.42Å; F465-V481 HydrophobicContact CE1-CG2 4.24Å; F465-V481 HydrophobicContact CE2-CG2 4.3Å; F465-V481 HydrophobicContact CZ-CG2 3.59Å; Q478-V481 PolarHBondContact O-N 2.98Å; E479-V481 VanDerWaalsContact C-N 3.32Å; E479-V481 PolarHBondContact O-N 3.21Å; V481-V485 WeakPolarHBondContact O-CG2 3.16Å; V481-V485 PolarHBondContact O-N 3.04Å
482	D	95.1	Very high	92.4	Very high	68 Å²	68	52.8 Å²	52.8	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-40.9	171.7	-81.5	30.6	0	0	0	111.3	H364 K368 Q478 E479 D480 V485 Q486	H364-D482 IonicContact CD2-OD1 2.69Å; H364-D482 IonicContact CE1-OD1 3.71Å; H364-D482 IonicContact NE2-OD1 3.61Å; H364-D482 PolarHBondContact NE2-OD1 2.88Å; K368-D482 IonicContact NZ-OD1 3.84Å; K368-D482 PolarHBondContact NZ-OD1 2.85Å; K368-D482 IonicContact NZ-OD2 2.65Å; K368-D482 PolarHBondContact NZ-OD2 2.8Å; Q478-D482 PolarHBondContact O-N 2.78Å; Q478-D482 VanDerWaalsContact O-OD1 3.13Å; E479-D482 WeakPolarHBondContact O-CB 3.38Å; E479-D482 PolarHBondContact O-N 3.31Å; D480-D482 VanDerWaalsContact C-N 3.35Å; D482-V485 PolarHBondContact O-N 2.82Å; D482-Q486 PolarHBondContact O-N 2.83Å
483	E	95.5	Very high	92.6	Very high	84 Å²	84	54.6 Å²	54.6	39%	0.393	29%	0.286	S	S	.	.	H	α-helix	trans	-68.9	-41.1	176.4	-167.3	167.5	-159.8	0	0	112.5	V446 E479 D480 V485 Q486 K487	V446-E483 HydrophobicContact CG1-CB 4.37Å; V446-E483 HydrophobicContact CG2-CB 4.2Å; V446-E483 HydrophobicContact CG2-CG 3.79Å; E479-E483 PolarHBondContact O-N 3.48Å; D480-E483 PolarHBondContact O-N 2.97Å; E483-V485 VanDerWaalsContact C-N 3.27Å; E483-V485 PolarHBondContact O-N 2.82Å; E483-Q486 CarbonylContact O-C 3.56Å; E483-Q486 WeakPolarHBondContact O-CA 3.49Å; E483-Q486 WeakPolarHBondContact O-CB 3.37Å; E483-Q486 PolarHBondContact O-N 2.84Å; E483-K487 HydrophobicContact CG-CG 4.48Å; E483-K487 WeakPolarHBondContact O-CG 3.44Å; E483-K487 PolarHBondContact O-N 2.87Å
484	V	94.7	Very high	92.8	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-55.1	-43.1	171.3	165.5	0	0	0	0	111.3	L365 L442 V446 V451 D480 K487 L488	L365-V484 HydrophobicContact CD1-CG1 4.36Å; L442-V484 HydrophobicContact CD2-CG1 4.38Å; V446-V484 HydrophobicContact CB-CG2 3.9Å; V446-V484 HydrophobicContact CG1-CG2 4.04Å; V446-V484 HydrophobicContact CG2-CG2 4.1Å; V451-V484 HydrophobicContact CG2-CG2 4.42Å; D480-V484 WeakPolarHBondContact O-CG2 3.41Å; D480-V484 PolarHBondContact O-N 3.48Å; V484-K487 PolarHBondContact O-N 3.05Å; V484-L488 HydrophobicContact CG1-CD1 4.28Å; V484-L488 WeakPolarHBondContact O-CG 3.25Å; V484-L488 PolarHBondContact O-N 2.97Å
485	V	94.2	Very high	93	Very high	12 Å²	12	50.5 Å²	50.5	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-69.5	-34.9	177.1	173.4	0	0	0	0	111.8	L365 K368 V481 D482 E483 L488 L489	L365-V485 HydrophobicContact CD1-CG2 3.67Å; K368-V485 HydrophobicContact CB-CG1 4.17Å; K368-V485 HydrophobicContact CB-CG2 3.8Å; K368-V485 HydrophobicContact CD-CB 4.3Å; K368-V485 HydrophobicContact CD-CG1 4.24Å; K368-V485 HydrophobicContact CD-CG2 3.97Å; V481-V485 WeakPolarHBondContact O-CG2 3.16Å; V481-V485 PolarHBondContact O-N 3.04Å; D482-V485 PolarHBondContact O-N 2.82Å; E483-V485 VanDerWaalsContact C-N 3.27Å; E483-V485 PolarHBondContact O-N 2.82Å; V485-L488 PolarHBondContact O-N 2.97Å; V485-L489 HydrophobicContact CG1-CD1 4.5Å; V485-L489 WeakPolarHBondContact O-CG 3.31Å; V485-L489 PolarHBondContact O-N 2.83Å
486	Q	94.8	Very high	93.1	Very high	105 Å²	105	49.4 Å²	49.4	49%	0.491	25%	0.248	S	C	.	.	H	α-helix	trans	-64.6	-44.1	172.5	-167.5	-171.4	-56.7	0	0	111.4	D482 E483 L488 L489 E490	D482-Q486 PolarHBondContact O-N 2.83Å; E483-Q486 CarbonylContact O-C 3.56Å; E483-Q486 WeakPolarHBondContact O-CA 3.49Å; E483-Q486 WeakPolarHBondContact O-CB 3.37Å; E483-Q486 PolarHBondContact O-N 2.84Å; Q486-L488 VanDerWaalsContact C-N 3.34Å; Q486-L488 PolarHBondContact O-N 3.21Å; Q486-L489 WeakPolarHBondContact O-CA 3.27Å; Q486-L489 WeakPolarHBondContact O-CB 3.47Å; Q486-L489 PolarHBondContact O-N 3.15Å; Q486-L489 VanDerWaalsContact O-N 3.08Å; Q486-E490 PolarHBondContact NE2-OE1 3.22Å; Q486-E490 WeakPolarHBondContact O-CG 3.16Å; Q486-E490 PolarHBondContact O-N 2.89Å
487	K	94.3	Very high	93	Very high	36 Å²	36	49.4 Å²	49.4	16%	0.157	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-34.5	176.9	-64.2	-43.3	-174.2	-171.4	0	112.5	L442 L445 V446 E483 V484 L489 E490 L491	L442-K487 HydrophobicContact CD2-CB 3.75Å; L445-K487 HydrophobicContact CB-CG 4.27Å; L445-K487 HydrophobicContact CD1-CB 4.4Å; L445-K487 HydrophobicContact CD1-CD 4.43Å; L445-K487 HydrophobicContact CD1-CG 4.26Å; V446-K487 HydrophobicContact CG2-CG 4.14Å; E483-K487 HydrophobicContact CG-CG 4.48Å; E483-K487 WeakPolarHBondContact O-CG 3.44Å; E483-K487 PolarHBondContact O-N 2.87Å; V484-K487 PolarHBondContact O-N 3.05Å; K487-L489 VanDerWaalsContact C-N 3.33Å; K487-L489 PolarHBondContact O-N 3.42Å; K487-E490 VanDerWaalsContact CD-OE2 3.27Å; K487-E490 WeakPolarHBondContact CD-OE2 3.02Å; K487-E490 IonicContact NZ-OE1 3.68Å; K487-E490 PolarHBondContact NZ-OE1 3.48Å; K487-E490 IonicContact NZ-OE2 3.6Å; K487-E490 PolarHBondContact NZ-OE2 2.97Å; K487-E490 PolarHBondContact O-N 2.81Å; K487-L491 WeakPolarHBondContact O-CB 3.36Å; K487-L491 VanDerWaalsContact O-CG 3.23Å; K487-L491 WeakPolarHBondContact O-CG 3.34Å; K487-L491 PolarHBondContact O-N 3.47Å
488	L	93.4	Very high	92.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-40.4	167.7	-80.1	168.8	0	0	0	112.9	L369 L372 I375 F405 M438 L442 V484 V485 Q486 E490 L491 V492	L369-L488 HydrophobicContact CD2-CD1 3.48Å; L369-L488 VanDerWaalsContact CD2-CD1 3.48Å; L372-L488 HydrophobicContact CD1-CB 4.27Å; I375-L488 HydrophobicContact CD1-CD2 4.21Å; F405-L488 HydrophobicContact CE2-CD1 3.91Å; F405-L488 HydrophobicContact CE2-CD2 4.09Å; F405-L488 HydrophobicContact CZ-CD1 4.27Å; M438-L488 HydrophobicContact CE-CD2 3.69Å; M438-L488 HydrophobicContact CG-CD2 4.09Å; M438-L488 HydrophobicContact SD-CD2 3.47Å; M438-L488 WeakPolarHBondContact SD-CD2 3.34Å; L442-L488 HydrophobicContact CD1-CD1 4.5Å; L442-L488 HydrophobicContact CD1-CD2 3.87Å; L442-L488 HydrophobicContact CD1-CG 4.01Å; L442-L488 HydrophobicContact CD2-CG 4.24Å; V484-L488 HydrophobicContact CG1-CD1 4.28Å; V484-L488 WeakPolarHBondContact O-CG 3.25Å; V484-L488 PolarHBondContact O-N 2.97Å; V485-L488 PolarHBondContact O-N 2.97Å; Q486-L488 VanDerWaalsContact C-N 3.34Å; Q486-L488 PolarHBondContact O-N 3.21Å; L488-E490 VanDerWaalsContact C-N 3.29Å; L488-E490 PolarHBondContact O-N 2.86Å; L488-L491 PolarHBondContact O-N 2.84Å; L488-V492 HydrophobicContact CD2-CG2 4.4Å; L488-V492 VanDerWaalsContact O-CB 3.24Å; L488-V492 WeakPolarHBondContact O-CB 3.33Å; L488-V492 WeakPolarHBondContact O-CG2 3.49Å; L488-V492 PolarHBondContact O-N 3.46Å
489	L	92.1	Very high	92.5	Very high	103 Å²	103	42.8 Å²	42.8	54%	0.539	22%	0.217	S	C	.	.	H	α-helix	trans	-67.8	-26.5	175.3	-74.6	165.7	0	0	0	113.3	L372 V485 Q486 K487 P493	L372-L489 HydrophobicContact CD2-CD2 3.57Å; L372-L489 HydrophobicContact CD2-CG 4.19Å; V485-L489 HydrophobicContact CG1-CD1 4.5Å; V485-L489 WeakPolarHBondContact O-CG 3.31Å; V485-L489 PolarHBondContact O-N 2.83Å; Q486-L489 WeakPolarHBondContact O-CA 3.27Å; Q486-L489 WeakPolarHBondContact O-CB 3.47Å; Q486-L489 PolarHBondContact O-N 3.15Å; Q486-L489 VanDerWaalsContact O-N 3.08Å; K487-L489 VanDerWaalsContact C-N 3.33Å; K487-L489 PolarHBondContact O-N 3.42Å; L489-P493 WeakPolarHBondContact O-CD 3.41Å; L489-P493 WeakPolarHBondContact O-CG 3.4Å
490	E	91.4	Very high	92.1	Very high	91 Å²	91	40.1 Å²	40.1	43%	0.425	21%	0.207	S	C	.	.	H	α-helix	trans	-78.6	-40.9	173.3	-66.9	170	-151.2	0	0	111.9	Q486 K487 L488	Q486-E490 PolarHBondContact NE2-OE1 3.22Å; Q486-E490 WeakPolarHBondContact O-CG 3.16Å; Q486-E490 PolarHBondContact O-N 2.89Å; K487-E490 VanDerWaalsContact CD-OE2 3.27Å; K487-E490 WeakPolarHBondContact CD-OE2 3.02Å; K487-E490 IonicContact NZ-OE1 3.68Å; K487-E490 PolarHBondContact NZ-OE1 3.48Å; K487-E490 IonicContact NZ-OE2 3.6Å; K487-E490 PolarHBondContact NZ-OE2 2.97Å; K487-E490 PolarHBondContact O-N 2.81Å; L488-E490 VanDerWaalsContact C-N 3.29Å; L488-E490 PolarHBondContact O-N 2.86Å
491	L	91.7	Very high	91.8	Very high	15 Å²	15	38.9 Å²	38.9	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-81.8	-42.5	-174.8	-65.4	170.3	0	0	0	114	W437 Q441 L442 L445 K487 L488 M494 M495	W437-L491 HydrophobicContact CH2-CD2 3.67Å; W437-L491 HydrophobicContact CZ3-CD2 3.92Å; Q441-L491 HydrophobicContact CB-CD1 4.2Å; L442-L491 HydrophobicContact CD2-CD1 4.18Å; L442-L491 HydrophobicContact CG-CD1 4.38Å; L445-L491 HydrophobicContact CD1-CD1 4.5Å; K487-L491 WeakPolarHBondContact O-CB 3.36Å; K487-L491 VanDerWaalsContact O-CG 3.23Å; K487-L491 WeakPolarHBondContact O-CG 3.34Å; K487-L491 PolarHBondContact O-N 3.47Å; L488-L491 PolarHBondContact O-N 2.84Å; L491-M494 WeakPolarHBondContact O-CB 3.34Å; L491-M494 PolarHBondContact O-N 3.42Å; L491-M494 VanDerWaalsContact O-N 3.11Å; L491-M495 HydrophobicContact CB-SD 4.4Å; L491-M495 WeakPolarHBondContact O-CG 3.39Å; L491-M495 PolarHBondContact O-N 3.4Å
492	V	91.2	Very high	91.5	Very high	19 Å²	19	39.9 Å²	39.9	12%	0.115	20%	0.204	C	C	.	.	H	α-helix	trans	-57.5	-40.4	-174.1	165.1	0	0	0	0	113.9	C374 I375 F407 M438 L488 M495 S496	C374-V492 HydrophobicContact CB-CG1 3.72Å; I375-V492 HydrophobicContact CD1-CG2 3.76Å; I375-V492 HydrophobicContact CG1-CG2 4.29Å; F407-V492 HydrophobicContact CD2-CG1 4.45Å; F407-V492 HydrophobicContact CE2-CG1 4.23Å; M438-V492 HydrophobicContact CE-CG2 3.83Å; L488-V492 HydrophobicContact CD2-CG2 4.4Å; L488-V492 VanDerWaalsContact O-CB 3.24Å; L488-V492 WeakPolarHBondContact O-CB 3.33Å; L488-V492 WeakPolarHBondContact O-CG2 3.49Å; L488-V492 PolarHBondContact O-N 3.46Å; V492-M495 PolarHBondContact O-N 2.87Å; V492-S496 WeakPolarHBondContact O-CB 3.5Å; V492-S496 PolarHBondContact O-N 3.38Å; V492-S496 PolarHBondContact O-OG 3.05Å
493	P	90.6	Very high	91.1	Very high	70 Å²	70	41.1 Å²	41.1	46%	0.455	21%	0.208	S	C	.	.	H	α-helix	trans	-63	-43.3	174.5	-23.5	35.2	0	0	0	112.7	L489 M495 S496 A497	L489-P493 WeakPolarHBondContact O-CD 3.41Å; L489-P493 WeakPolarHBondContact O-CG 3.4Å; P493-M495 VanDerWaalsContact C-N 3.35Å; P493-M495 PolarHBondContact O-N 3.44Å; P493-S496 PolarHBondContact O-N 2.83Å; P493-A497 WeakPolarHBondContact O-CB 3.32Å; P493-A497 PolarHBondContact O-N 3.12Å
494	M	89.6	Confident	90.8	Very high	60 Å²	60	40.6 Å²	40.6	30%	0.296	21%	0.208	S	C	.	.	H	α-helix	trans	-62.7	-41.6	177.8	-174.1	-167	-67.7	0	0	111.5	W437 L491 A497 T498 M585 V586 T587	W437-M494 HydrophobicContact CH2-SD 4.23Å; L491-M494 WeakPolarHBondContact O-CB 3.34Å; L491-M494 PolarHBondContact O-N 3.42Å; L491-M494 VanDerWaalsContact O-N 3.11Å; M494-A497 PolarHBondContact O-N 2.86Å; M494-T498 WeakPolarHBondContact O-CB 3.43Å; M494-T498 PolarHBondContact O-N 2.89Å; M494-T498 PolarHBondContact O-OG1 2.96Å; M494-M585 HydrophobicContact CG-CB 3.86Å; M494-M585 HydrophobicContact SD-CB 3.53Å; M494-M585 VanDerWaalsContact SD-CB 3.53Å; M494-M585 HydrophobicContact SD-CG 4.22Å; M494-V586 WeakPolarHBondContact CG-O 3.43Å; M494-V586 VanDerWaalsContact O-O 3.09Å; M494-T587 HydrophobicContact CG-CG2 4.43Å
495	M	90.4	Very high	90.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-42.7	175.9	-68.2	173.2	73.7	0	0	112	F407 F434 W437 M438 L491 V492 P493 M499 M585	F407-M495 HydrophobicContact CB-CE 3.97Å; F407-M495 HydrophobicContact CD1-CE 4.02Å; F407-M495 HydrophobicContact CE1-CB 4.26Å; F407-M495 HydrophobicContact CE2-CB 4.35Å; F407-M495 HydrophobicContact CG-CE 3.97Å; F407-M495 HydrophobicContact CZ-CB 4.16Å; F434-M495 HydrophobicContact CB-CE 3.68Å; F434-M495 HydrophobicContact CD1-CB 3.89Å; F434-M495 HydrophobicContact CD1-CE 3.78Å; F434-M495 HydrophobicContact CD1-CG 4.03Å; F434-M495 HydrophobicContact CE1-CB 4.15Å; F434-M495 HydrophobicContact CE1-CG 4.46Å; F434-M495 WeakPolarHBondContact CE1-O 3.23Å; F434-M495 HydrophobicContact CG-CE 4.22Å; F434-M495 WeakPolarHBondContact O-CE 3.46Å; W437-M495 HydrophobicContact CE3-CG 4.34Å; W437-M495 HydrophobicContact CE3-SD 4.21Å; W437-M495 HydrophobicContact CZ3-CG 3.85Å; W437-M495 HydrophobicContact CZ3-SD 3.98Å; M438-M495 HydrophobicContact CB-CE 3.97Å; M438-M495 HydrophobicContact CB-SD 4.15Å; M438-M495 HydrophobicContact CE-CE 3.8Å; M438-M495 HydrophobicContact CE-SD 3.47Å; M438-M495 WeakPolarHBondContact CE-SD 3.35Å; L491-M495 HydrophobicContact CB-SD 4.4Å; L491-M495 WeakPolarHBondContact O-CG 3.39Å; L491-M495 PolarHBondContact O-N 3.4Å; V492-M495 PolarHBondContact O-N 2.87Å; P493-M495 VanDerWaalsContact C-N 3.35Å; P493-M495 PolarHBondContact O-N 3.44Å; M495-M499 WeakPolarHBondContact O-CB 3.4Å; M495-M499 PolarHBondContact O-N 2.72Å; M495-M585 HydrophobicContact CG-CE 4.3Å
496	S	90.1	Very high	90.3	Very high	18 Å²	18	43.3 Å²	43.3	13%	0.126	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-45.7	177	-52.3	0	0	0	0	111.7	F407 V492 P493 M499 N500	F407-S496 WeakPolarHBondContact CE2-OG 3.28Å; V492-S496 WeakPolarHBondContact O-CB 3.5Å; V492-S496 PolarHBondContact O-N 3.38Å; V492-S496 PolarHBondContact O-OG 3.05Å; P493-S496 PolarHBondContact O-N 2.83Å; S496-M499 PolarHBondContact O-N 2.76Å; S496-N500 PolarHBondContact O-N 2.8Å; S496-N500 PolarHBondContact O-ND2 2.76Å; S496-N500 VanDerWaalsContact O-ND2 3.08Å
497	A	89.6	Confident	90	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-50.4	175.8	0	0	0	0	0	111.5	P493 M494 M499 N500 L501 D588	P493-A497 WeakPolarHBondContact O-CB 3.32Å; P493-A497 PolarHBondContact O-N 3.12Å; M494-A497 PolarHBondContact O-N 2.86Å; A497-M499 PolarHBondContact O-N 2.8Å; A497-N500 PolarHBondContact O-N 3.43Å; A497-L501 WeakPolarHBondContact O-CB 3.26Å; A497-L501 VanDerWaalsContact O-CG 3.28Å; A497-L501 WeakPolarHBondContact O-CG 3.42Å; A497-L501 PolarHBondContact O-N 2.89Å; A497-D588 WeakPolarHBondContact CA-OD1 3.47Å; A497-D588 HydrophobicContact CB-CB 4.25Å; A497-D588 VanDerWaalsContact CB-OD1 3.26Å; A497-D588 WeakPolarHBondContact CB-OD1 3.15Å
498	T	90.1	Very high	89.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-47.4	178.2	-53.9	0	0	0	0	111.2	F434 M494 N500 L501 R502 G526 L527 M585 V586	F434-T498 HydrophobicContact CE1-CG2 4.29Å; F434-T498 HydrophobicContact CZ-CG2 3.81Å; M494-T498 WeakPolarHBondContact O-CB 3.43Å; M494-T498 PolarHBondContact O-N 2.89Å; M494-T498 PolarHBondContact O-OG1 2.96Å; T498-N500 PolarHBondContact O-N 3.13Å; T498-L501 PolarHBondContact O-N 2.99Å; T498-L501 VanDerWaalsContact O-N 3.16Å; T498-R502 WeakPolarHBondContact O-CG 3.42Å; T498-R502 PolarHBondContact O-N 2.85Å; T498-G526 WeakPolarHBondContact CG2-O 3.48Å; T498-L527 HydrophobicContact CG2-CB 4.47Å; T498-M585 HydrophobicContact CG2-SD 3.85Å; T498-V586 HydrophobicContact CG2-CG2 4.22Å; T498-V586 PolarHBondContact OG1-N 3Å; T498-V586 PolarHBondContact OG1-O 3.45Å; T498-V586 VanDerWaalsContact OG1-O 3.07Å
499	M	87.6	Confident	89.5	Confident	47 Å²	47	42 Å²	42	23%	0.232	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-35.4	-178.9	-168.2	166.2	64.5	0	0	112.9	F407 Q409 L431 M495 S496 A497	F407-M499 HydrophobicContact CE1-CE 3.68Å; F407-M499 HydrophobicContact CE1-SD 4.33Å; F407-M499 HydrophobicContact CZ-CE 4.09Å; Q409-M499 HydrophobicContact CB-CE 3.41Å; Q409-M499 VanDerWaalsContact CB-CE 3.41Å; Q409-M499 HydrophobicContact CG-CE 4.22Å; L431-M499 HydrophobicContact CD2-CE 3.98Å; L431-M499 HydrophobicContact CD2-SD 3.71Å; L431-M499 HydrophobicContact CG-SD 4.26Å; M495-M499 WeakPolarHBondContact O-CB 3.4Å; M495-M499 PolarHBondContact O-N 2.72Å; S496-M499 PolarHBondContact O-N 2.76Å; A497-M499 PolarHBondContact O-N 2.8Å
500	N	88.5	Confident	89.4	Confident	79 Å²	79	42.5 Å²	42.5	42%	0.422	21%	0.21	S	C	.	.	H	α-helix	trans	-63.1	-44.6	170.9	-67.1	-33.5	0	0	0	111.7	Q409 S496 A497 T498	Q409-N500 PolarHBondContact NE2-OD1 3Å; S496-N500 PolarHBondContact O-N 2.8Å; S496-N500 PolarHBondContact O-ND2 2.76Å; S496-N500 VanDerWaalsContact O-ND2 3.08Å; A497-N500 PolarHBondContact O-N 3.43Å; T498-N500 PolarHBondContact O-N 3.13Å
501	L	89.2	Confident	89.3	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-80.1	-14.2	-173.8	-65.1	172.8	0	0	0	114.1	A497 T498 Q503 D504 F505 L527 V586 V592	A497-L501 WeakPolarHBondContact O-CB 3.26Å; A497-L501 VanDerWaalsContact O-CG 3.28Å; A497-L501 WeakPolarHBondContact O-CG 3.42Å; A497-L501 PolarHBondContact O-N 2.89Å; T498-L501 PolarHBondContact O-N 2.99Å; T498-L501 VanDerWaalsContact O-N 3.16Å; L501-Q503 VanDerWaalsContact C-N 3.25Å; L501-Q503 PolarHBondContact O-N 3.4Å; L501-D504 PolarHBondContact O-N 3.2Å; L501-F505 WeakPolarHBondContact O-CB 3.34Å; L501-F505 PolarHBondContact O-N 3.44Å; L501-L527 VanDerWaalsContact C-CD1 3.48Å; L501-L527 HydrophobicContact CB-CD1 3.65Å; L501-V586 HydrophobicContact CB-CG2 4.49Å; L501-V586 HydrophobicContact CD1-CG2 3.87Å; L501-V592 HydrophobicContact CB-CG2 4.1Å; L501-V592 HydrophobicContact CD1-CG2 4.37Å; L501-V592 HydrophobicContact CD2-CG2 3.96Å; L501-V592 HydrophobicContact CG-CG2 4.37Å
502	R	88.2	Confident	88.9	Confident	22 Å²	22	46.5 Å²	46.5	8%	0.083	22%	0.222	C	C	.	.	H	α-helix	trans	-54.1	-39.4	175.5	-82.1	-177.3	77	116.2	-9.2	112.4	T498 R506 E521 W524 G526 L527	T498-R502 WeakPolarHBondContact O-CG 3.42Å; T498-R502 PolarHBondContact O-N 2.85Å; R502-R506 WeakPolarHBondContact O-CB 3.46Å; R502-R506 PolarHBondContact O-N 3.15Å; R502-E521 PolarHBondContact NH2-O 2.95Å; R502-W524 PolarHBondContact NH1-O 2.87Å; R502-G526 WeakPolarHBondContact CD-O 3.14Å; R502-G526 PolarHBondContact NH1-O 3.38Å; R502-L527 WeakPolarHBondContact CG-O 3.45Å
503	Q	86.5	Confident	88.3	Confident	95 Å²	95	48.5 Å²	48.5	44%	0.444	24%	0.241	S	C	.	.	H	α-helix	trans	-71.6	-44.1	178.4	-178.7	60.7	19.2	0	0	112	L501 F505 R506 E507	L501-Q503 VanDerWaalsContact C-N 3.25Å; L501-Q503 PolarHBondContact O-N 3.4Å; Q503-F505 VanDerWaalsContact C-N 3.28Å; Q503-F505 PolarHBondContact O-N 2.87Å; Q503-R506 WeakPolarHBondContact O-CB 3.41Å; Q503-R506 PolarHBondContact O-N 3.48Å; Q503-E507 PolarHBondContact NE2-OE1 3.32Å; Q503-E507 PolarHBondContact O-N 3.13Å
504	D	88.5	Confident	87.8	Confident	72 Å²	72	49.9 Å²	49.9	39%	0.385	25%	0.249	S	C	.	.	H	α-helix	trans	-57.7	-43.2	175.1	-72.9	-8.5	0	0	0	110.9	L501 E507 E508 V592	L501-D504 PolarHBondContact O-N 3.2Å; D504-E507 PolarHBondContact O-N 2.82Å; D504-E508 WeakPolarHBondContact O-CB 3.19Å; D504-E508 PolarHBondContact O-N 2.57Å; D504-V592 HydrophobicContact CB-CG1 4.29Å; D504-V592 HydrophobicContact CB-CG2 4.44Å
505	F	89.7	Confident	87.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-39.8	179.7	178.5	-108.5	0	0	0	112.7	L501 Q503 T509 Y518 L527 V530 V583 V592 V596	L501-F505 WeakPolarHBondContact O-CB 3.34Å; L501-F505 PolarHBondContact O-N 3.44Å; Q503-F505 VanDerWaalsContact C-N 3.28Å; Q503-F505 PolarHBondContact O-N 2.87Å; F505-T509 WeakPolarHBondContact O-CB 3.41Å; F505-T509 PolarHBondContact O-N 3.2Å; F505-T509 PolarHBondContact O-OG1 3.12Å; F505-Y518 HydrophobicContact CD1-CD2 4.26Å; F505-Y518 AromaticContact CD1-CE2 3.93Å; F505-Y518 HydrophobicContact CD1-CE2 3.93Å; F505-Y518 HydrophobicContact CE1-CD2 4.27Å; F505-Y518 HydrophobicContact CE1-CE2 4.13Å; F505-L527 HydrophobicContact CB-CD1 3.96Å; F505-L527 HydrophobicContact CB-CD2 3.87Å; F505-L527 HydrophobicContact CB-CG 3.66Å; F505-L527 HydrophobicContact CD1-CD2 4.26Å; F505-L527 HydrophobicContact CD1-CG 3.83Å; F505-L527 VanDerWaalsContact CD1-O 3.27Å; F505-L527 WeakPolarHBondContact CD1-O 3.25Å; F505-L527 HydrophobicContact CD2-CD2 3.51Å; F505-L527 HydrophobicContact CD2-CG 4Å; F505-L527 HydrophobicContact CE1-CG 4.43Å; F505-L527 HydrophobicContact CE2-CD2 4.02Å; F505-L527 HydrophobicContact CG-CD1 4.43Å; F505-L527 HydrophobicContact CG-CD2 3.64Å; F505-L527 HydrophobicContact CG-CG 3.58Å; F505-V530 HydrophobicContact CE1-CG1 3.83Å; F505-V530 HydrophobicContact CE2-CG1 4.4Å; F505-V530 HydrophobicContact CZ-CG1 3.48Å; F505-V530 VanDerWaalsContact CZ-CG1 3.48Å; F505-V583 HydrophobicContact CE2-CG2 4.36Å; F505-V583 HydrophobicContact CZ-CB 4.29Å; F505-V583 HydrophobicContact CZ-CG2 3.79Å; F505-V592 VanDerWaalsContact CA-CG1 3.42Å; F505-V592 HydrophobicContact CB-CG1 3.8Å; F505-V592 HydrophobicContact CD2-CG1 4.14Å; F505-V592 HydrophobicContact CG-CG1 4.49Å; F505-V596 HydrophobicContact CD2-CG2 3.58Å; F505-V596 HydrophobicContact CE2-CG2 3.66Å
506	R	88.9	Confident	87.4	Confident	71 Å²	71	47.6 Å²	47.6	27%	0.268	24%	0.239	S	C	.	.	H	α-helix	trans	-57.1	-52.2	170.1	-175.6	-178.1	-167.7	144.7	15.8	110.5	R502 Q503 T509 H510 Y518 E520	R502-R506 WeakPolarHBondContact O-CB 3.46Å; R502-R506 PolarHBondContact O-N 3.15Å; Q503-R506 WeakPolarHBondContact O-CB 3.41Å; Q503-R506 PolarHBondContact O-N 3.48Å; R506-T509 PolarHBondContact O-N 3.28Å; R506-H510 PolarHBondContact O-N 3Å; R506-H510 VanDerWaalsContact O-N 3.13Å; R506-H510 PolarHBondContact O-ND1 3.46Å; R506-Y518 HydrophobicContact CB-CD2 4.32Å; R506-Y518 HydrophobicContact CB-CE1 4.39Å; R506-Y518 HydrophobicContact CB-CE2 4.09Å; R506-Y518 HydrophobicContact CG-CD1 3.92Å; R506-Y518 HydrophobicContact CG-CD2 4.43Å; R506-Y518 HydrophobicContact CG-CE1 3.89Å; R506-Y518 HydrophobicContact CG-CE2 4.4Å; R506-Y518 HydrophobicContact CG-CG 4.19Å; R506-E520 IonicContact CZ-OE1 2.72Å; R506-E520 VanDerWaalsContact CZ-OE1 3.31Å; R506-E520 IonicContact CZ-OE2 3.98Å; R506-E520 IonicContact NH1-OE1 3.39Å; R506-E520 PolarHBondContact NH1-OE1 3.39Å; R506-E520 IonicContact NH1-OE2 2.76Å; R506-E520 IonicContact NH2-OE1 3.64Å; R506-E520 PolarHBondContact NH2-OE1 2.81Å; R506-E520 IonicContact NH2-OE2 3.36Å; R506-E520 PolarHBondContact NH2-OE2 3.45Å
507	E	89	Confident	87.3	Confident	98 Å²	98	49.2 Å²	49.2	46%	0.458	25%	0.248	S	C	.	.	H	α-helix	trans	-66.6	-37.4	-177.6	-72.1	-173	-156.5	0	0	113.4	Q503 D504 H510 R511	Q503-E507 PolarHBondContact NE2-OE1 3.32Å; Q503-E507 PolarHBondContact O-N 3.13Å; D504-E507 PolarHBondContact O-N 2.82Å; E507-H510 PolarHBondContact O-N 3.39Å; E507-R511 WeakPolarHBondContact O-CG 3.24Å; E507-R511 PolarHBondContact O-N 3.12Å; E507-R511 PolarHBondContact O-NE 2.85Å
508	E	88.3	Confident	87.2	Confident	16 Å²	16	50.5 Å²	50.5	8%	0.075	25%	0.253	C	S	.	.	H	α-helix	trans	-69.3	-40	176.4	-165.7	69.4	-97	0	0	112.2	D504 H510 R511 H512 V592 S593 V596	D504-E508 WeakPolarHBondContact O-CB 3.19Å; D504-E508 PolarHBondContact O-N 2.57Å; E508-H510 VanDerWaalsContact C-N 3.29Å; E508-H510 PolarHBondContact O-N 3.37Å; E508-R511 WeakPolarHBondContact O-CB 3.48Å; E508-R511 PolarHBondContact O-N 2.98Å; E508-R511 IonicContact OE1-CZ 3.42Å; E508-R511 IonicContact OE1-NE 3.88Å; E508-R511 PolarHBondContact OE1-NE 3.45Å; E508-R511 IonicContact OE1-NH1 2.79Å; E508-R511 PolarHBondContact OE1-NH1 2.62Å; E508-R511 IonicContact OE1-NH2 3.41Å; E508-R511 IonicContact OE2-CZ 2.66Å; E508-R511 IonicContact OE2-NH1 2.71Å; E508-R511 PolarHBondContact OE2-NH1 2.85Å; E508-R511 IonicContact OE2-NH2 3.22Å; E508-R511 PolarHBondContact OE2-NH2 2.89Å; E508-H512 PolarHBondContact O-N 3.25Å; E508-H512 PolarHBondContact O-ND1 3.44Å; E508-H512 IonicContact OE1-CE1 2.7Å; E508-H512 IonicContact OE1-ND1 3.65Å; E508-V592 HydrophobicContact CB-CG1 4.24Å; E508-S593 WeakPolarHBondContact OE2-CB 3.5Å; E508-V596 HydrophobicContact CB-CB 4.41Å; E508-V596 HydrophobicContact CB-CG2 4.14Å; E508-V596 HydrophobicContact CG-CB 3.74Å; E508-V596 HydrophobicContact CG-CG1 4Å; E508-V596 HydrophobicContact CG-CG2 3.98Å
509	T	88.8	Confident	87	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-40.7	174.7	-55.4	0	0	0	0	110.9	F505 R506 R511 H512 A513 L516 V530	F505-T509 WeakPolarHBondContact O-CB 3.41Å; F505-T509 PolarHBondContact O-N 3.2Å; F505-T509 PolarHBondContact O-OG1 3.12Å; R506-T509 PolarHBondContact O-N 3.28Å; T509-R511 VanDerWaalsContact C-N 3.27Å; T509-R511 PolarHBondContact O-N 2.92Å; T509-H512 PolarHBondContact O-N 2.92Å; T509-H512 VanDerWaalsContact O-N 3.07Å; T509-A513 PolarHBondContact O-N 2.89Å; T509-L516 HydrophobicContact CG2-CB 3.9Å; T509-V530 HydrophobicContact CG2-CG1 3.89Å
510	H	88.8	Confident	86.6	Confident	113 Å²	113	53.8 Å²	53.8	52%	0.523	27%	0.268	S	S	.	.	H	α-helix	trans	-65.4	-26.5	175.2	-75.4	74.2	0	0	0	113.2	R506 E507 E508 H512 A513	R506-H510 PolarHBondContact O-N 3Å; R506-H510 VanDerWaalsContact O-N 3.13Å; R506-H510 PolarHBondContact O-ND1 3.46Å; E507-H510 PolarHBondContact O-N 3.39Å; E508-H510 VanDerWaalsContact C-N 3.29Å; E508-H510 PolarHBondContact O-N 3.37Å; H510-H512 VanDerWaalsContact C-N 3.31Å; H510-A513 WeakPolarHBondContact O-CB 3.48Å
511	R	89.4	Confident	86.3	Confident	152 Å²	152	50.9 Å²	50.9	57%	0.574	25%	0.252	S	S	*	.	H	α-helix	trans	-71.9	-24	172.3	-73	177.5	-105.9	152.9	-4.3	113.2	E507 E508 T509	E507-R511 WeakPolarHBondContact O-CG 3.24Å; E507-R511 PolarHBondContact O-N 3.12Å; E507-R511 PolarHBondContact O-NE 2.85Å; E508-R511 WeakPolarHBondContact O-CB 3.48Å; E508-R511 PolarHBondContact O-N 2.98Å; E508-R511 IonicContact OE1-CZ 3.42Å; E508-R511 IonicContact OE1-NE 3.88Å; E508-R511 PolarHBondContact OE1-NE 3.45Å; E508-R511 IonicContact OE1-NH1 2.79Å; E508-R511 PolarHBondContact OE1-NH1 2.62Å; E508-R511 IonicContact OE1-NH2 3.41Å; E508-R511 IonicContact OE2-CZ 2.66Å; E508-R511 IonicContact OE2-NH1 2.71Å; E508-R511 PolarHBondContact OE2-NH1 2.85Å; E508-R511 IonicContact OE2-NH2 3.22Å; E508-R511 PolarHBondContact OE2-NH2 2.89Å; T509-R511 VanDerWaalsContact C-N 3.27Å; T509-R511 PolarHBondContact O-N 2.92Å
512	H	84.7	Confident	85.8	Confident	39 Å²	39	52.5 Å²	52.5	18%	0.181	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	3.1	178.2	-68.4	78.9	0	0	0	113.8	E508 T509 H510 S515 L516 V596	E508-H512 PolarHBondContact O-N 3.25Å; E508-H512 PolarHBondContact O-ND1 3.44Å; E508-H512 IonicContact OE1-CE1 2.7Å; E508-H512 IonicContact OE1-ND1 3.65Å; T509-H512 PolarHBondContact O-N 2.92Å; T509-H512 VanDerWaalsContact O-N 3.07Å; H510-H512 VanDerWaalsContact C-N 3.31Å; H512-S515 PolarHBondContact O-N 3.34Å; H512-S515 PolarHBondContact O-OG 3.43Å; H512-L516 HydrophobicContact CB-CB 4.42Å; H512-L516 HydrophobicContact CB-CD1 4.14Å; H512-L516 HydrophobicContact CB-CG 4.47Å; H512-L516 PolarHBondContact O-N 2.93Å; H512-V596 HydrophobicContact CB-CG1 4.26Å; H512-V596 WeakPolarHBondContact ND1-CG1 3.3Å
513	A	79	Confident	85.5	Confident	61 Å²	61	53.4 Å²	53.4	50%	0.504	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	138.7	168.4	0	0	0	0	0	110.8	T509 H510	T509-A513 PolarHBondContact O-N 2.89Å; H510-A513 WeakPolarHBondContact O-CB 3.48Å
514	P	79.7	Confident	85.5	Confident	98 Å²	98	49.4 Å²	49.4	64%	0.636	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.1	9.7	11.8	37.9	-37.7	0	0	0	115.1
515	S	84	Confident	85.1	Confident	8 Å²	8	46.7 Å²	46.7	6%	0.056	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-29.4	-177.5	68.8	0	0	0	0	114.1	H512 Y532 E533 S600	H512-S515 PolarHBondContact O-N 3.34Å; H512-S515 PolarHBondContact O-OG 3.43Å; S515-Y532 WeakPolarHBondContact O-CD2 3.45Å; S515-E533 PolarHBondContact O-N 2.72Å; S515-S600 PolarHBondContact OG-OG 2.98Å; S515-S600 VanDerWaalsContact OG-OG 3.06Å
516	L	87.8	Confident	85	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.1	175.1	-63.4	177.1	0	0	0	110.2	T509 H512 Y532 V596 I599	T509-L516 HydrophobicContact CG2-CB 3.9Å; H512-L516 HydrophobicContact CB-CB 4.42Å; H512-L516 HydrophobicContact CB-CD1 4.14Å; H512-L516 HydrophobicContact CB-CG 4.47Å; H512-L516 PolarHBondContact O-N 2.93Å; L516-Y532 HydrophobicContact CD2-CD2 3.87Å; L516-V596 HydrophobicContact CD1-CG1 3.81Å; L516-I599 HydrophobicContact CD1-CG2 4.25Å; L516-I599 HydrophobicContact CD2-CG2 4.03Å
517	T	87.6	Confident	84.9	Confident	52 Å²	52	43.3 Å²	43.3	32%	0.319	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.1	169	-65.9	0	0	0	0	109	I519 V530 R531 E533	T517-I519 HydrophobicContact CG2-CG1 4.46Å; T517-V530 WeakPolarHBondContact O-CA 3.21Å; T517-R531 PolarHBondContact N-O 3.37Å; T517-R531 PolarHBondContact O-N 3.37Å; T517-E533 WeakPolarHBondContact OG1-CG 3.3Å
518	Y	87.2	Confident	84.8	Confident	28 Å²	28	38.7 Å²	38.7	11%	0.11	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	137.8	170.1	179	-95	0	0	0	110	F505 R506 E520	F505-Y518 HydrophobicContact CD1-CD2 4.26Å; F505-Y518 AromaticContact CD1-CE2 3.93Å; F505-Y518 HydrophobicContact CD1-CE2 3.93Å; F505-Y518 HydrophobicContact CE1-CD2 4.27Å; F505-Y518 HydrophobicContact CE1-CE2 4.13Å; R506-Y518 HydrophobicContact CB-CD2 4.32Å; R506-Y518 HydrophobicContact CB-CE1 4.39Å; R506-Y518 HydrophobicContact CB-CE2 4.09Å; R506-Y518 HydrophobicContact CG-CD1 3.92Å; R506-Y518 HydrophobicContact CG-CD2 4.43Å; R506-Y518 HydrophobicContact CG-CE1 3.89Å; R506-Y518 HydrophobicContact CG-CE2 4.4Å; R506-Y518 HydrophobicContact CG-CG 4.19Å; Y518-E520 HydrophobicContact CE1-CB 3.95Å
519	I	84.9	Confident	84.8	Confident	16 Å²	16	38 Å²	38	8%	0.082	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.2	178.5	-63.7	172.8	0	0	0	108.4	T517 E521 A529 R531 C580	T517-I519 HydrophobicContact CG2-CG1 4.46Å; I519-E521 VanDerWaalsContact C-N 3.28Å; I519-E521 PolarHBondContact O-N 3.29Å; I519-A529 HydrophobicContact CB-CB 4.05Å; I519-A529 HydrophobicContact CG2-CB 4.41Å; I519-A529 PolarHBondContact N-O 2.94Å; I519-R531 HydrophobicContact CD1-CB 3.7Å; I519-C580 HydrophobicContact CD1-CB 4.2Å; I519-C580 WeakPolarHBondContact CD1-SG 3.29Å
520	E	79.4	Confident	84.8	Confident	99 Å²	99	38.1 Å²	38.1	46%	0.463	20%	0.201	S	C	.	.			trans	-85.1	69.1	-174.6	-173.8	156.6	-141.8	0	0	111	R506 Y518 L522	R506-E520 IonicContact CZ-OE1 2.72Å; R506-E520 VanDerWaalsContact CZ-OE1 3.31Å; R506-E520 IonicContact CZ-OE2 3.98Å; R506-E520 IonicContact NH1-OE1 3.39Å; R506-E520 PolarHBondContact NH1-OE1 3.39Å; R506-E520 IonicContact NH1-OE2 2.76Å; R506-E520 IonicContact NH2-OE1 3.64Å; R506-E520 PolarHBondContact NH2-OE1 2.81Å; R506-E520 IonicContact NH2-OE2 3.36Å; R506-E520 PolarHBondContact NH2-OE2 3.45Å; Y518-E520 HydrophobicContact CE1-CB 3.95Å; E520-L522 HydrophobicContact CG-CD2 4.06Å
521	E	82	Confident	84.8	Confident	19 Å²	19	34.4 Å²	34.4	9%	0.089	18%	0.183	C	C	.	.			trans	-86	117.2	173.1	-166.8	45.6	-100.4	0	0	109.7	R502 I519 S523 W524 A529 T576 F582	R502-E521 PolarHBondContact NH2-O 2.95Å; I519-E521 VanDerWaalsContact C-N 3.28Å; I519-E521 PolarHBondContact O-N 3.29Å; E521-S523 WeakPolarHBondContact CG-OG 3.44Å; E521-S523 WeakPolarHBondContact OE1-CB 3.35Å; E521-S523 PolarHBondContact OE1-N 3Å; E521-S523 PolarHBondContact OE1-OG 3.12Å; E521-W524 HydrophobicContact CG-CB 4.43Å; E521-A529 HydrophobicContact CB-CB 4.5Å; E521-T576 WeakPolarHBondContact OE2-CG2 3.4Å; E521-T576 PolarHBondContact OE2-OG1 2.86Å; E521-F582 HydrophobicContact CB-CE1 4.14Å; E521-F582 HydrophobicContact CG-CE1 3.97Å; E521-F582 HydrophobicContact CG-CZ 4.49Å
522	L	80.5	Confident	84.7	Confident	40 Å²	40	27.4 Å²	27.4	21%	0.209	16%	0.156	C	C	.	.	S	Bend	trans	-90.2	-20.4	-175	-58.8	177.1	0	0	0	111.6	E429 V430 T433 E520 W524	E429-L522 HydrophobicContact CB-CB 4.28Å; E429-L522 VanDerWaalsContact OE2-CD1 3.31Å; E429-L522 WeakPolarHBondContact OE2-CD1 3.27Å; V430-L522 HydrophobicContact CG2-CB 4.46Å; V430-L522 HydrophobicContact CG2-CD2 3.81Å; T433-L522 PolarHBondContact OG1-O 3.4Å; E520-L522 HydrophobicContact CG-CD2 4.06Å; L522-W524 VanDerWaalsContact C-N 3.28Å; L522-W524 PolarHBondContact O-N 2.99Å
523	S	81.3	Confident	84.7	Confident	41 Å²	41	27.8 Å²	27.8	29%	0.287	16%	0.158	S	C	.	.	S	Bend	trans	-78.8	-1.4	175.9	63.7	0	0	0	0	114.7	T433 E521 F574	T433-S523 VanDerWaalsContact CG2-C 3.41Å; T433-S523 WeakPolarHBondContact CG2-O 3.49Å; E521-S523 WeakPolarHBondContact CG-OG 3.44Å; E521-S523 WeakPolarHBondContact OE1-CB 3.35Å; E521-S523 PolarHBondContact OE1-N 3Å; E521-S523 PolarHBondContact OE1-OG 3.12Å; S523-F574 VanDerWaalsContact O-CD1 3.23Å; S523-F574 WeakPolarHBondContact O-CD1 3.23Å; S523-F574 VanDerWaalsContact O-CE1 3.29Å; S523-F574 WeakPolarHBondContact O-CE1 3.46Å
524	W	85	Confident	84.7	Confident	11 Å²	11	26.4 Å²	26.4	4%	0.042	15%	0.145	C	C	.	.			trans	-97.6	119.5	-177.7	178.1	-109.5	0	0	0	114.5	R502 E521 L522 G526 F567 F574 F582 V583	R502-W524 PolarHBondContact NH1-O 2.87Å; E521-W524 HydrophobicContact CG-CB 4.43Å; L522-W524 VanDerWaalsContact C-N 3.28Å; L522-W524 PolarHBondContact O-N 2.99Å; W524-G526 VanDerWaalsContact C-N 3.33Å; W524-G526 PolarHBondContact O-N 3.4Å; W524-F567 HydrophobicContact CH2-CD1 4.34Å; W524-F567 HydrophobicContact CH2-CE1 4.33Å; W524-F574 HydrophobicContact CE3-CD1 4.5Å; W524-F574 AromaticContact CE3-CD2 3.8Å; W524-F574 HydrophobicContact CE3-CD2 3.8Å; W524-F574 AromaticContact CE3-CE2 3.94Å; W524-F574 HydrophobicContact CE3-CE2 3.94Å; W524-F574 HydrophobicContact CE3-CG 4.11Å; W524-F574 HydrophobicContact CE3-CZ 4.35Å; W524-F574 AromaticContact CZ3-CD2 3.9Å; W524-F574 HydrophobicContact CZ3-CD2 3.9Å; W524-F574 AromaticContact CZ3-CE2 3.77Å; W524-F574 HydrophobicContact CZ3-CE2 3.77Å; W524-F574 HydrophobicContact CZ3-CZ 4.41Å; W524-F582 HydrophobicContact CB-CD1 4Å; W524-F582 HydrophobicContact CB-CE1 4.15Å; W524-F582 HydrophobicContact CD2-CB 3.92Å; W524-F582 AromaticContact CD2-CD1 3.6Å; W524-F582 HydrophobicContact CD2-CD1 3.6Å; W524-F582 HydrophobicContact CD2-CE1 4.42Å; W524-F582 HydrophobicContact CD2-CG 4.03Å; W524-F582 HydrophobicContact CE3-CB 4.2Å; W524-F582 AromaticContact CE3-CD1 3.9Å; W524-F582 HydrophobicContact CE3-CD1 3.9Å; W524-F582 HydrophobicContact CE3-CG 4.11Å; W524-F582 AromaticContact CG-CD1 3.6Å; W524-F582 HydrophobicContact CG-CD1 3.6Å; W524-F582 HydrophobicContact CG-CE1 4.25Å; W524-F582 HydrophobicContact CG-CG 4.46Å; W524-F582 HydrophobicContact CH2-CB 3.93Å; W524-F582 HydrophobicContact CZ2-CB 3.64Å; W524-F582 HydrophobicContact CZ3-CB 4.2Å; W524-F582 HydrophobicContact CZ3-CG 4.4Å; W524-V583 PolarHBondContact NE1-O 2.97Å
525	P	81.7	Confident	84.3	Confident	15 Å²	15	27.6 Å²	27.6	10%	0.097	14%	0.142	C	C	.	.	S	Bend	trans	-80.3	72.6	177.1	33.4	-35	0	0	0	111.9	T433 W437 M585	T433-P525 HydrophobicContact CG2-CB 3.91Å; T433-P525 HydrophobicContact CG2-CG 4.28Å; W437-P525 HydrophobicContact CB-CB 3.61Å; W437-P525 HydrophobicContact CB-CG 4.01Å; W437-P525 HydrophobicContact CG-CB 3.79Å; W437-P525 HydrophobicContact CG-CG 4.06Å; P525-M585 HydrophobicContact CB-CE 3.87Å; P525-M585 WeakPolarHBondContact O-CE 3.45Å
526	G	87.3	Confident	83.5	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-170	-158.9	178.8	0	0	0	0	0	113.9	T498 R502 W524 V583 G584	T498-G526 WeakPolarHBondContact CG2-O 3.48Å; R502-G526 WeakPolarHBondContact CD-O 3.14Å; R502-G526 PolarHBondContact NH1-O 3.38Å; W524-G526 VanDerWaalsContact C-N 3.33Å; W524-G526 PolarHBondContact O-N 3.4Å; G526-V583 CarbonylContact C-O 3.5Å; G526-G584 WeakPolarHBondContact CA-O 3.38Å
527	L	86.2	Confident	82	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-74.7	-27.3	-178.2	-164.9	66.1	0	0	0	113.2	T498 L501 R502 F505 V583 G584 V586 L595	T498-L527 HydrophobicContact CG2-CB 4.47Å; L501-L527 VanDerWaalsContact C-CD1 3.48Å; L501-L527 HydrophobicContact CB-CD1 3.65Å; R502-L527 WeakPolarHBondContact CG-O 3.45Å; F505-L527 HydrophobicContact CB-CD1 3.96Å; F505-L527 HydrophobicContact CB-CD2 3.87Å; F505-L527 HydrophobicContact CB-CG 3.66Å; F505-L527 HydrophobicContact CD1-CD2 4.26Å; F505-L527 HydrophobicContact CD1-CG 3.83Å; F505-L527 VanDerWaalsContact CD1-O 3.27Å; F505-L527 WeakPolarHBondContact CD1-O 3.25Å; F505-L527 HydrophobicContact CD2-CD2 3.51Å; F505-L527 HydrophobicContact CD2-CG 4Å; F505-L527 HydrophobicContact CE1-CG 4.43Å; F505-L527 HydrophobicContact CE2-CD2 4.02Å; F505-L527 HydrophobicContact CG-CD1 4.43Å; F505-L527 HydrophobicContact CG-CD2 3.64Å; F505-L527 HydrophobicContact CG-CG 3.58Å; L527-V583 HydrophobicContact CB-CB 4.22Å; L527-V583 HydrophobicContact CB-CG1 3.93Å; L527-V583 HydrophobicContact CD2-CG1 4.11Å; L527-V583 PolarHBondContact N-O 3.38Å; L527-G584 PolarHBondContact N-O 2.83Å; L527-V586 HydrophobicContact CD1-CG2 3.97Å; L527-V586 HydrophobicContact CD2-CG1 4.26Å; L527-L595 HydrophobicContact CD2-CD2 3.84Å
528	G	86.8	Confident	80.6	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.8	-172.9	172.8	0	0	0	0	0	113.5	V583	G528-V583 PolarHBondContact N-O 3.44Å; G528-V583 PolarHBondContact O-N 3.22Å
529	A	88.4	Confident	79.2	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.5	177.4	0	0	0	0	0	111.4	I519 E521 I581 F582	I519-A529 HydrophobicContact CB-CB 4.05Å; I519-A529 HydrophobicContact CG2-CB 4.41Å; I519-A529 PolarHBondContact N-O 2.94Å; E521-A529 HydrophobicContact CB-CB 4.5Å; A529-I581 WeakPolarHBondContact CA-O 3.43Å; A529-F582 HydrophobicContact CB-CD1 3.75Å; A529-F582 HydrophobicContact CB-CE1 3.77Å
530	V	89.6	Confident	78.4	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.2	177.3	-67.6	0	0	0	0	111.7	F505 T509 T517 I581 I599	F505-V530 HydrophobicContact CE1-CG1 3.83Å; F505-V530 HydrophobicContact CE2-CG1 4.4Å; F505-V530 HydrophobicContact CZ-CG1 3.48Å; F505-V530 VanDerWaalsContact CZ-CG1 3.48Å; T509-V530 HydrophobicContact CG2-CG1 3.89Å; T517-V530 WeakPolarHBondContact O-CA 3.21Å; V530-I581 HydrophobicContact CG2-CB 4.39Å; V530-I581 PolarHBondContact N-O 3.4Å; V530-I581 PolarHBondContact O-N 2.65Å; V530-I599 HydrophobicContact CG2-CG2 4.35Å
531	R	88.3	Confident	78	Confident	35 Å²	35	45 Å²	45	13%	0.132	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.6	174.3	176.4	164	64	-133.7	-6.6	109.5	T517 I519 E533 E577	T517-R531 PolarHBondContact N-O 3.37Å; T517-R531 PolarHBondContact O-N 3.37Å; I519-R531 HydrophobicContact CD1-CB 3.7Å; R531-E533 WeakPolarHBondContact CD-OE1 3.47Å; R531-E533 IonicContact CZ-OE1 3.66Å; R531-E533 IonicContact NE-OE1 2.72Å; R531-E533 PolarHBondContact NE-OE1 3.06Å; R531-E577 IonicContact CZ-OE2 3.51Å; R531-E577 VanDerWaalsContact CZ-OE2 3.22Å; R531-E577 IonicContact NH1-OE2 3.2Å; R531-E577 PolarHBondContact NH1-OE2 3.38Å; R531-E577 IonicContact NH2-OE2 3.82Å; R531-E577 PolarHBondContact NH2-OE2 2.68Å
532	Y	87.9	Confident	77.6	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.3	169.6	-172.3	-89.2	0	0	0	109.7	S515 L516 Q548 I551 N552 G603 R604 E607	S515-Y532 WeakPolarHBondContact O-CD2 3.45Å; L516-Y532 HydrophobicContact CD2-CD2 3.87Å; Y532-Q548 PolarHBondContact O-NE2 3.2Å; Y532-I551 HydrophobicContact CD1-CG2 3.79Å; Y532-I551 HydrophobicContact CE1-CG2 4.34Å; Y532-I551 HydrophobicContact CG-CG2 4.31Å; Y532-N552 WeakPolarHBondContact CB-OD1 3.33Å; Y532-G603 VanDerWaalsContact CE2-C 3.48Å; Y532-R604 HydrophobicContact CE2-CG 4.47Å; Y532-R604 WeakPolarHBondContact OH-CA 3.23Å; Y532-R604 WeakPolarHBondContact OH-CG 3.34Å; Y532-E607 HydrophobicContact CE1-CB 4.31Å; Y532-E607 WeakPolarHBondContact CE1-OE2 3.44Å; Y532-E607 PolarHBondContact OH-OE2 3.4Å
533	E	84.6	Confident	77.3	Confident	48 Å²	48	51.7 Å²	51.7	22%	0.224	29%	0.291	C	S	.	.			trans	-111.5	115.4	179.3	-65.8	-64.2	161	0	0	109.7	S515 T517 R531 Q548	S515-E533 PolarHBondContact O-N 2.72Å; T517-E533 WeakPolarHBondContact OG1-CG 3.3Å; R531-E533 WeakPolarHBondContact CD-OE1 3.47Å; R531-E533 IonicContact CZ-OE1 3.66Å; R531-E533 IonicContact NE-OE1 2.72Å; R531-E533 PolarHBondContact NE-OE1 3.06Å; E533-Q548 PolarHBondContact OE1-NE2 2.74Å; E533-Q548 VanDerWaalsContact OE1-NE2 3.16Å; E533-Q548 PolarHBondContact OE2-NE2 3.46Å
534	S	78.5	Confident	76.9	Confident	32 Å²	32	53.7 Å²	53.7	22%	0.224	29%	0.293	C	S	.	.			trans	-68.7	137.9	-179.7	170.5	0	0	0	0	111.8	A536 E607	S534-A536 PolarHBondContact O-N 3.43Å; S534-A536 WeakPolarHBondContact OG-CB 3.47Å; S534-A536 PolarHBondContact OG-N 2.89Å; S534-E607 VanDerWaalsContact CA-OE1 3.28Å; S534-E607 WeakPolarHBondContact CA-OE1 3.47Å; S534-E607 VanDerWaalsContact CB-OE1 3.27Å; S534-E607 WeakPolarHBondContact CB-OE1 3.44Å; S534-E607 PolarHBondContact OG-OE1 2.89Å
535	Q	72.1	Confident	76.5	Confident	122 Å²	122	57.8 Å²	57.8	57%	0.57	31%	0.311	S	S	*	.			trans	-88.8	17.7	-179.4	-57.6	-169.2	6.5	0	0	113.2	E537 E607	Q535-E537 PolarHBondContact O-N 2.98Å; Q535-E537 VanDerWaalsContact O-N 3.16Å; Q535-E607 PolarHBondContact N-OE1 2.8Å
536	A	65.8	Low	76.4	Confident	47 Å²	47	63 Å²	63	39%	0.388	33%	0.334	S	S	.	.			trans	-73.7	100.1	-179.6	0	0	0	0	0	113	S534 G538	S534-A536 PolarHBondContact O-N 3.43Å; S534-A536 WeakPolarHBondContact OG-CB 3.47Å; S534-A536 PolarHBondContact OG-N 2.89Å; A536-G538 PolarHBondContact O-N 3.47Å
537	E	57.9	Low	75.9	Confident	200 Å²	200	65.3 Å²	65.3	94%	0.935	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	131.4	169.5	-67.8	-165.8	144	0	0	111.9	Q535	Q535-E537 PolarHBondContact O-N 2.98Å; Q535-E537 VanDerWaalsContact O-N 3.16Å
538	G	56.8	Low	75.7	Confident	80 Å²	80	66.1 Å²	66.1	83%	0.825	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.5	-3.9	164.4	0	0	0	0	0	118	A536	A536-G538 PolarHBondContact O-N 3.47Å
539	A	57.5	Low	75.5	Confident	28 Å²	28	70.9 Å²	70.9	23%	0.231	37%	0.369	C	S	.	.			trans	-72.2	147.8	176.2	0	0	0	0	0	113.6	R544	A539-R544 HydrophobicContact CB-CB 4.43Å; A539-R544 PolarHBondContact O-NH1 2.97Å; A539-R544 PolarHBondContact O-NH2 3.46Å
540	D	68.3	Low	75.4	Confident	103 Å²	103	76.5 Å²	76.5	55%	0.551	39%	0.393	S	S	*	.			trans	-63	152	165.1	176.6	51.7	0	0	0	111.1	S542 R543 R544	D540-S542 VanDerWaalsContact C-N 3.34Å; D540-S542 PolarHBondContact O-N 3.41Å; D540-S542 WeakPolarHBondContact OD2-CB 3.46Å; D540-S542 PolarHBondContact OD2-N 3.08Å; D540-S542 PolarHBondContact OD2-OG 2.88Å; D540-R543 HydrophobicContact CB-CB 4.44Å; D540-R543 PolarHBondContact O-N 2.86Å; D540-R544 PolarHBondContact O-N 2.75Å
541	E	71.2	Confident	75.2	Confident	115 Å²	115	77.2 Å²	77.2	54%	0.537	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-38.6	-175.6	-160.5	-167.8	135.1	0	0	112.5	R543 R544 K545	E541-R543 VanDerWaalsContact C-N 3.33Å; E541-R543 PolarHBondContact O-N 3.02Å; E541-R544 PolarHBondContact O-N 3.02Å; E541-K545 PolarHBondContact O-N 3.42Å; E541-K545 WeakPolarHBondContact OE1-CE 3.39Å; E541-K545 IonicContact OE1-NZ 3.43Å; E541-K545 PolarHBondContact OE1-NZ 2.97Å
542	S	74.5	Confident	75.1	Confident	85 Å²	85	75.6 Å²	75.6	59%	0.594	39%	0.391	S	S	*	.	H	α-helix	trans	-64.1	-40.3	177	72.5	0	0	0	0	111.9	D540 Q546	D540-S542 VanDerWaalsContact C-N 3.34Å; D540-S542 PolarHBondContact O-N 3.41Å; D540-S542 WeakPolarHBondContact OD2-CB 3.46Å; D540-S542 PolarHBondContact OD2-N 3.08Å; D540-S542 PolarHBondContact OD2-OG 2.88Å; S542-Q546 PolarHBondContact O-N 3.16Å
543	R	74.6	Confident	75.1	Confident	114 Å²	114	78.5 Å²	78.5	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-71.4	-42.9	179.4	-176.5	171.3	169.8	166.8	0.3	111.5	D540 E541 K545 Q546 E547 E614	D540-R543 HydrophobicContact CB-CB 4.44Å; D540-R543 PolarHBondContact O-N 2.86Å; E541-R543 VanDerWaalsContact C-N 3.33Å; E541-R543 PolarHBondContact O-N 3.02Å; R543-K545 PolarHBondContact O-N 3.38Å; R543-Q546 PolarHBondContact O-N 3.07Å; R543-Q546 VanDerWaalsContact O-N 3.16Å; R543-E547 HydrophobicContact CG-CG 4.42Å; R543-E547 IonicContact CZ-OE1 3.49Å; R543-E547 IonicContact NE-OE1 2.81Å; R543-E547 PolarHBondContact NE-OE1 2.75Å; R543-E547 IonicContact NE-OE2 3.22Å; R543-E547 IonicContact NH2-OE1 3.38Å; R543-E547 PolarHBondContact NH2-OE1 3.43Å; R543-E547 WeakPolarHBondContact O-CG 3.3Å; R543-E547 PolarHBondContact O-N 3.34Å; R543-E614 IonicContact CZ-OE1 3.84Å; R543-E614 IonicContact NH2-OE1 2.73Å; R543-E614 PolarHBondContact NH2-OE1 2.97Å; R543-E614 IonicContact NH2-OE2 2.66Å
544	R	73.1	Confident	75.2	Confident	83 Å²	83	77.9 Å²	77.9	31%	0.313	41%	0.41	S	S	.	.	H	α-helix	trans	-55.8	-47.6	175.7	-176.2	-177.4	-64.9	89.1	13.6	111.6	A539 D540 E541 Q546 E547 Q548	A539-R544 HydrophobicContact CB-CB 4.43Å; A539-R544 PolarHBondContact O-NH1 2.97Å; A539-R544 PolarHBondContact O-NH2 3.46Å; D540-R544 PolarHBondContact O-N 2.75Å; E541-R544 PolarHBondContact O-N 3.02Å; R544-Q546 VanDerWaalsContact C-N 3.33Å; R544-Q546 PolarHBondContact O-N 3.48Å; R544-E547 PolarHBondContact O-N 3.46Å; R544-Q548 VanDerWaalsContact O-CB 3.25Å; R544-Q548 WeakPolarHBondContact O-CB 3.45Å; R544-Q548 PolarHBondContact O-N 2.76Å
545	K	76.2	Confident	75.6	Confident	98 Å²	98	76.4 Å²	76.4	43%	0.426	40%	0.399	S	S	.	.	H	α-helix	trans	-61.6	-39.5	178	-72.9	174.2	174	169.8	0	112.2	E541 R543 K549	E541-K545 PolarHBondContact O-N 3.42Å; E541-K545 WeakPolarHBondContact OE1-CE 3.39Å; E541-K545 IonicContact OE1-NZ 3.43Å; E541-K545 PolarHBondContact OE1-NZ 2.97Å; R543-K545 PolarHBondContact O-N 3.38Å; K545-K549 WeakPolarHBondContact O-CB 3.46Å; K545-K549 PolarHBondContact O-N 2.76Å
546	Q	79.1	Confident	76.3	Confident	125 Å²	125	71.4 Å²	71.4	58%	0.584	38%	0.377	S	S	*	.	H	α-helix	trans	-71.5	-30.2	176.9	-164.1	-179.4	47.3	0	0	113.4	S542 R543 R544 K550	S542-Q546 PolarHBondContact O-N 3.16Å; R543-Q546 PolarHBondContact O-N 3.07Å; R543-Q546 VanDerWaalsContact O-N 3.16Å; R544-Q546 VanDerWaalsContact C-N 3.33Å; R544-Q546 PolarHBondContact O-N 3.48Å; Q546-K550 WeakPolarHBondContact O-CG 3.2Å; Q546-K550 PolarHBondContact O-N 3.29Å
547	E	77.7	Confident	77.3	Confident	48 Å²	48	72.6 Å²	72.6	22%	0.224	38%	0.379	C	S	.	.	H	α-helix	trans	-76.6	-42.8	175.4	-73.5	168.6	160.4	0	0	111.3	R543 R544 K549 K550 I551	R543-E547 HydrophobicContact CG-CG 4.42Å; R543-E547 IonicContact CZ-OE1 3.49Å; R543-E547 IonicContact NE-OE1 2.81Å; R543-E547 PolarHBondContact NE-OE1 2.75Å; R543-E547 IonicContact NE-OE2 3.22Å; R543-E547 IonicContact NH2-OE1 3.38Å; R543-E547 PolarHBondContact NH2-OE1 3.43Å; R543-E547 WeakPolarHBondContact O-CG 3.3Å; R543-E547 PolarHBondContact O-N 3.34Å; R544-E547 PolarHBondContact O-N 3.46Å; E547-K549 PolarHBondContact O-N 3.13Å; E547-K550 PolarHBondContact O-N 3.04Å; E547-I551 WeakPolarHBondContact O-CG1 3.26Å; E547-I551 PolarHBondContact O-N 2.91Å
548	Q	81.3	Confident	78.7	Confident	16 Å²	16	67 Å²	67	8%	0.075	35%	0.352	C	S	.	.	H	α-helix	trans	-57.7	-44.9	171.7	-178.3	168.5	42.1	0	0	112.2	Y532 E533 R544 K550 I551 N552	Y532-Q548 PolarHBondContact O-NE2 3.2Å; E533-Q548 PolarHBondContact OE1-NE2 2.74Å; E533-Q548 VanDerWaalsContact OE1-NE2 3.16Å; E533-Q548 PolarHBondContact OE2-NE2 3.46Å; R544-Q548 VanDerWaalsContact O-CB 3.25Å; R544-Q548 WeakPolarHBondContact O-CB 3.45Å; R544-Q548 PolarHBondContact O-N 2.76Å; Q548-K550 PolarHBondContact O-N 3.38Å; Q548-I551 PolarHBondContact O-N 3.44Å; Q548-N552 PolarHBondContact O-N 3.32Å
549	K	83	Confident	80.1	Confident	101 Å²	101	63.2 Å²	63.2	44%	0.439	31%	0.312	S	S	.	.	H	α-helix	trans	-55.7	-51.1	173.7	180	163.1	-173.3	146.3	0	111.8	K545 E547 I551 N552 D553 N579	K545-K549 WeakPolarHBondContact O-CB 3.46Å; K545-K549 PolarHBondContact O-N 2.76Å; E547-K549 PolarHBondContact O-N 3.13Å; K549-I551 VanDerWaalsContact C-N 3.27Å; K549-I551 PolarHBondContact O-N 3.38Å; K549-N552 PolarHBondContact O-N 2.97Å; K549-N552 VanDerWaalsContact O-N 3.08Å; K549-D553 WeakPolarHBondContact CE-OD1 3.38Å; K549-D553 WeakPolarHBondContact CE-OD2 3.45Å; K549-D553 WeakPolarHBondContact CG-OD2 3.17Å; K549-D553 WeakPolarHBondContact O-CB 3.19Å; K549-D553 PolarHBondContact O-N 3.31Å; K549-N579 WeakPolarHBondContact CB-OD1 3.48Å; K549-N579 VanDerWaalsContact CD-OD1 3.3Å; K549-N579 WeakPolarHBondContact CD-OD1 3.19Å; K549-N579 WeakPolarHBondContact CG-OD1 3.39Å
550	K	85.1	Confident	81.5	Confident	119 Å²	119	67 Å²	67	52%	0.517	33%	0.326	S	S	.	.	H	α-helix	trans	-59.9	-35.7	179.4	-69.2	166.4	-173.2	166.2	0	113.2	Q546 E547 Q548 A554	Q546-K550 WeakPolarHBondContact O-CG 3.2Å; Q546-K550 PolarHBondContact O-N 3.29Å; E547-K550 PolarHBondContact O-N 3.04Å; Q548-K550 PolarHBondContact O-N 3.38Å; K550-A554 VanDerWaalsContact O-CB 3.25Å; K550-A554 WeakPolarHBondContact O-CB 3.36Å; K550-A554 PolarHBondContact O-N 3.26Å; K550-A554 VanDerWaalsContact O-N 3.15Å
551	I	85.6	Confident	82.3	Confident	19 Å²	19	68 Å²	68	10%	0.097	33%	0.327	C	S	.	.	H	α-helix	trans	-66.8	-45.6	175.4	-66.8	166.2	0	0	0	109.6	Y532 E547 Q548 K549 A554 L555 I606 E607	Y532-I551 HydrophobicContact CD1-CG2 3.79Å; Y532-I551 HydrophobicContact CE1-CG2 4.34Å; Y532-I551 HydrophobicContact CG-CG2 4.31Å; E547-I551 WeakPolarHBondContact O-CG1 3.26Å; E547-I551 PolarHBondContact O-N 2.91Å; Q548-I551 PolarHBondContact O-N 3.44Å; K549-I551 VanDerWaalsContact C-N 3.27Å; K549-I551 PolarHBondContact O-N 3.38Å; I551-A554 PolarHBondContact O-N 3.46Å; I551-L555 WeakPolarHBondContact O-CB 3.36Å; I551-L555 PolarHBondContact O-N 2.88Å; I551-I606 HydrophobicContact CB-CG2 4.43Å; I551-I606 HydrophobicContact CG1-CG2 4.34Å; I551-I606 HydrophobicContact CG2-CG2 4.12Å; I551-E607 HydrophobicContact CD1-CB 4.39Å; I551-E607 HydrophobicContact CD1-CG 4.46Å
552	N	87.1	Confident	82.9	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-71.1	-38.7	-178.2	-65.3	-9.3	0	0	0	112.6	Y532 Q548 K549 A554 L555 L556 N579 I581	Y532-N552 WeakPolarHBondContact CB-OD1 3.33Å; Q548-N552 PolarHBondContact O-N 3.32Å; K549-N552 PolarHBondContact O-N 2.97Å; K549-N552 VanDerWaalsContact O-N 3.08Å; N552-A554 VanDerWaalsContact C-N 3.35Å; N552-A554 PolarHBondContact O-N 3.44Å; N552-L555 PolarHBondContact O-N 3.16Å; N552-L556 WeakPolarHBondContact O-CB 3.33Å; N552-L556 PolarHBondContact O-N 2.72Å; N552-N579 PolarHBondContact ND2-O 3.13Å; N552-I581 HydrophobicContact CB-CD1 4.33Å; N552-I581 HydrophobicContact CB-CG1 4.31Å
553	D	86.4	Confident	82.6	Confident	64 Å²	64	66.4 Å²	66.4	34%	0.342	32%	0.315	S	S	.	.	H	α-helix	trans	-59.7	-44.4	172.5	-61.5	-17.9	0	0	0	110.8	K549 T557	K549-D553 WeakPolarHBondContact CE-OD1 3.38Å; K549-D553 WeakPolarHBondContact CE-OD2 3.45Å; K549-D553 WeakPolarHBondContact CG-OD2 3.17Å; K549-D553 WeakPolarHBondContact O-CB 3.19Å; K549-D553 PolarHBondContact O-N 3.31Å; D553-T557 PolarHBondContact O-N 2.85Å; D553-T557 VanDerWaalsContact O-N 3.13Å; D553-T557 PolarHBondContact O-OG1 2.86Å
554	A	86.5	Confident	82.6	Confident	36 Å²	36	62.3 Å²	62.3	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-71.8	-34.3	177.9	0	0	0	0	0	113	K550 I551 N552 T557 K558 I606	K550-A554 VanDerWaalsContact O-CB 3.25Å; K550-A554 WeakPolarHBondContact O-CB 3.36Å; K550-A554 PolarHBondContact O-N 3.26Å; K550-A554 VanDerWaalsContact O-N 3.15Å; I551-A554 PolarHBondContact O-N 3.46Å; N552-A554 VanDerWaalsContact C-N 3.35Å; N552-A554 PolarHBondContact O-N 3.44Å; A554-T557 PolarHBondContact O-N 2.77Å; A554-K558 WeakPolarHBondContact O-CB 3.44Å; A554-K558 WeakPolarHBondContact O-CG 3.33Å; A554-K558 PolarHBondContact O-N 2.85Å; A554-I606 HydrophobicContact CB-CD1 4.29Å; A554-I606 HydrophobicContact CB-CG2 4.13Å
555	L	88	Confident	82.6	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-69.9	-42.4	176.6	178.9	55.8	0	0	0	110.8	I551 N552 T557 K558 L559 I581 I599 L602 I606	I551-L555 WeakPolarHBondContact O-CB 3.36Å; I551-L555 PolarHBondContact O-N 2.88Å; N552-L555 PolarHBondContact O-N 3.16Å; L555-T557 PolarHBondContact O-N 3Å; L555-K558 PolarHBondContact O-N 2.8Å; L555-L559 HydrophobicContact CD1-CD1 4.21Å; L555-L559 HydrophobicContact CD1-CG 4.25Å; L555-L559 HydrophobicContact CG-CD1 4.1Å; L555-L559 VanDerWaalsContact O-CG 3.29Å; L555-L559 WeakPolarHBondContact O-CG 3.27Å; L555-L559 PolarHBondContact O-N 3.08Å; L555-I581 HydrophobicContact CB-CD1 3.88Å; L555-I581 HydrophobicContact CD2-CD1 3.67Å; L555-I581 HydrophobicContact CG-CD1 3.61Å; L555-I599 HydrophobicContact CD2-CG2 4.26Å; L555-L602 HydrophobicContact CD1-CB 3.43Å; L555-L602 VanDerWaalsContact CD1-CB 3.43Å; L555-L602 HydrophobicContact CD1-CD1 4.41Å; L555-I606 HydrophobicContact CB-CD1 3.86Å; L555-I606 HydrophobicContact CD1-CD1 4.17Å
556	L	87	Confident	82.9	Confident	17 Å²	17	58.7 Å²	58.7	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-55.4	-51.7	169.9	178.2	70.8	0	0	0	110.7	N552 K558 L559 Q560 F568 T570 I581	N552-L556 WeakPolarHBondContact O-CB 3.33Å; N552-L556 PolarHBondContact O-N 2.72Å; L556-K558 PolarHBondContact O-N 3.38Å; L556-L559 PolarHBondContact O-N 2.94Å; L556-Q560 HydrophobicContact CD1-CG 4.18Å; L556-Q560 HydrophobicContact CG-CG 4.33Å; L556-Q560 WeakPolarHBondContact O-CG 3.27Å; L556-Q560 PolarHBondContact O-N 2.92Å; L556-F568 HydrophobicContact CD1-CB 3.82Å; L556-T570 HydrophobicContact CB-CG2 4.31Å; L556-T570 HydrophobicContact CD1-CG2 4.44Å; L556-T570 HydrophobicContact CD2-CG2 3.77Å; L556-T570 HydrophobicContact CG-CG2 4.38Å; L556-I581 HydrophobicContact CD1-CG2 4.43Å
557	T	87.1	Confident	83.1	Confident	72 Å²	72	58.8 Å²	58.8	44%	0.442	29%	0.293	S	S	.	.	H	α-helix	trans	-54.9	-41	178.5	-52.1	0	0	0	0	111.3	D553 A554 L555 E561	D553-T557 PolarHBondContact O-N 2.85Å; D553-T557 VanDerWaalsContact O-N 3.13Å; D553-T557 PolarHBondContact O-OG1 2.86Å; A554-T557 PolarHBondContact O-N 2.77Å; L555-T557 PolarHBondContact O-N 3Å; T557-E561 WeakPolarHBondContact O-CG 3.35Å; T557-E561 PolarHBondContact O-N 2.82Å; T557-E561 VanDerWaalsContact O-N 3.13Å
558	K	86.8	Confident	83.5	Confident	82 Å²	82	56.7 Å²	56.7	36%	0.357	28%	0.283	S	S	.	.	H	α-helix	trans	-75	-27.1	178.8	-77.2	-80.2	164.6	-95.3	0	114.4	A554 L555 L556 E561 I606	A554-K558 WeakPolarHBondContact O-CB 3.44Å; A554-K558 WeakPolarHBondContact O-CG 3.33Å; A554-K558 PolarHBondContact O-N 2.85Å; L555-K558 PolarHBondContact O-N 2.8Å; L556-K558 PolarHBondContact O-N 3.38Å; K558-E561 IonicContact NZ-OE1 3.63Å; K558-E561 PolarHBondContact NZ-OE1 3.46Å; K558-E561 IonicContact NZ-OE2 2.64Å; K558-E561 PolarHBondContact NZ-OE2 3.04Å; K558-I606 HydrophobicContact CG-CD1 4.36Å
559	L	86.6	Confident	83.6	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-76.2	-39.1	172.5	-70.1	166.8	0	0	0	111.2	L555 L556 E561 L562 F568 I581 I599 L602	L555-L559 HydrophobicContact CD1-CD1 4.21Å; L555-L559 HydrophobicContact CD1-CG 4.25Å; L555-L559 HydrophobicContact CG-CD1 4.1Å; L555-L559 VanDerWaalsContact O-CG 3.29Å; L555-L559 WeakPolarHBondContact O-CG 3.27Å; L555-L559 PolarHBondContact O-N 3.08Å; L556-L559 PolarHBondContact O-N 2.94Å; L559-E561 VanDerWaalsContact C-N 3.26Å; L559-E561 PolarHBondContact O-N 3.37Å; L559-L562 HydrophobicContact CD2-CD1 4.06Å; L559-L562 VanDerWaalsContact O-CB 3.29Å; L559-L562 WeakPolarHBondContact O-CB 3.41Å; L559-L562 PolarHBondContact O-N 2.84Å; L559-F568 HydrophobicContact CB-CB 4.46Å; L559-F568 HydrophobicContact CB-CD1 4.35Å; L559-F568 HydrophobicContact CB-CD2 3.97Å; L559-F568 HydrophobicContact CB-CE2 4.25Å; L559-F568 HydrophobicContact CB-CG 4.02Å; L559-F568 HydrophobicContact CD1-CD1 4.12Å; L559-F568 HydrophobicContact CD1-CE1 4.31Å; L559-F568 HydrophobicContact CD2-CE1 4.45Å; L559-F568 HydrophobicContact CD2-CZ 4.34Å; L559-I581 HydrophobicContact CD1-CD1 4.41Å; L559-I581 HydrophobicContact CD1-CG2 4.19Å; L559-I599 HydrophobicContact CD1-CG1 4.27Å; L559-I599 HydrophobicContact CD2-CG1 4.02Å; L559-L602 HydrophobicContact CD2-CD1 3.89Å; L559-L602 HydrophobicContact CG-CD1 4.48Å
560	Q	85.8	Confident	83.1	Confident	109 Å²	109	53.8 Å²	53.8	51%	0.509	28%	0.275	S	S	.	.	H	α-helix	trans	-69.2	-20.9	174.3	-69.2	176.7	-18.8	0	0	113.3	L556 L562 F568	L556-Q560 HydrophobicContact CD1-CG 4.18Å; L556-Q560 HydrophobicContact CG-CG 4.33Å; L556-Q560 WeakPolarHBondContact O-CG 3.27Å; L556-Q560 PolarHBondContact O-N 2.92Å; Q560-L562 VanDerWaalsContact C-N 3.25Å; Q560-L562 PolarHBondContact O-N 2.87Å; Q560-F568 HydrophobicContact CG-CB 4.49Å; Q560-F568 PolarHBondContact NE2-O 3.4Å
561	E	85.2	Confident	81.9	Confident	123 Å²	123	50.9 Å²	50.9	58%	0.575	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-6.3	168.4	-81.7	175.4	-142.8	0	0	114	T557 K558 L559	T557-E561 WeakPolarHBondContact O-CG 3.35Å; T557-E561 PolarHBondContact O-N 2.82Å; T557-E561 VanDerWaalsContact O-N 3.13Å; K558-E561 IonicContact NZ-OE1 3.63Å; K558-E561 PolarHBondContact NZ-OE1 3.46Å; K558-E561 IonicContact NZ-OE2 2.64Å; K558-E561 PolarHBondContact NZ-OE2 3.04Å; L559-E561 VanDerWaalsContact C-N 3.26Å; L559-E561 PolarHBondContact O-N 3.37Å
562	L	83.3	Confident	80.4	Confident	39 Å²	39	55.1 Å²	55.1	20%	0.204	29%	0.294	C	S	.	.	S	Bend	trans	-84.7	137.2	178.5	-59.8	-179.8	0	0	0	111.9	L559 Q560 T564 T598 L602 L711 F712	L559-L562 HydrophobicContact CD2-CD1 4.06Å; L559-L562 VanDerWaalsContact O-CB 3.29Å; L559-L562 WeakPolarHBondContact O-CB 3.41Å; L559-L562 PolarHBondContact O-N 2.84Å; Q560-L562 VanDerWaalsContact C-N 3.25Å; Q560-L562 PolarHBondContact O-N 2.87Å; L562-T564 VanDerWaalsContact C-N 3.25Å; L562-T564 HydrophobicContact CB-CG2 3.83Å; L562-T564 PolarHBondContact O-N 3.01Å; L562-T564 PolarHBondContact O-OG1 3.06Å; L562-T598 HydrophobicContact CD1-CG2 4.48Å; L562-L602 HydrophobicContact CD1-CD1 4.48Å; L562-L711 HydrophobicContact CB-CD1 4.31Å; L562-L711 HydrophobicContact CD2-CD1 4.44Å; L562-F712 HydrophobicContact CD1-CE2 4.32Å; L562-F712 HydrophobicContact CD1-CZ 3.87Å
563	D	68.3	Low	78.8	Confident	127 Å²	127	63.3 Å²	63.3	68%	0.679	33%	0.332	S	S	*	.			trans	-75.1	77.8	171.3	-174.1	23.7	0	0	0	109.8
564	T	75.1	Confident	77.3	Confident	28 Å²	28	62.8 Å²	62.8	17%	0.172	33%	0.327	C	S	.	.			trans	-131.8	142.4	-174	50.1	0	0	0	0	111.8	L562 I566 L711 F712	L562-T564 VanDerWaalsContact C-N 3.25Å; L562-T564 HydrophobicContact CB-CG2 3.83Å; L562-T564 PolarHBondContact O-N 3.01Å; L562-T564 PolarHBondContact O-OG1 3.06Å; T564-I566 PolarHBondContact O-N 2.91Å; T564-I566 VanDerWaalsContact O-N 3.09Å; T564-L711 HydrophobicContact CG2-CB 3.72Å; T564-L711 HydrophobicContact CG2-CD1 4.13Å; T564-F712 HydrophobicContact CG2-CD2 3.77Å; T564-F712 HydrophobicContact CG2-CE2 3.49Å; T564-F712 VanDerWaalsContact CG2-CE2 3.49Å; T564-F712 HydrophobicContact CG2-CZ 4.37Å
565	D	74.3	Confident	75.8	Confident	90 Å²	90	64.7 Å²	64.7	48%	0.481	34%	0.335	S	S	.	.	S	Bend	trans	-73.4	10.2	173.1	-59.9	-65.6	0	0	0	113.7	R710 R713	D565-R710 IonicContact OD1-CZ 3.37Å; D565-R710 IonicContact OD1-NH1 2.71Å; D565-R710 PolarHBondContact OD1-NH1 3.37Å; D565-R710 IonicContact OD1-NH2 3.19Å; D565-R710 VanDerWaalsContact OD2-CD 3.25Å; D565-R710 WeakPolarHBondContact OD2-CD 3.17Å; D565-R710 IonicContact OD2-CZ 3.4Å; D565-R710 IonicContact OD2-NE 3.95Å; D565-R710 IonicContact OD2-NH1 3.61Å; D565-R710 PolarHBondContact OD2-NH1 2.65Å; D565-R713 IonicContact OD2-CZ 2.89Å; D565-R713 IonicContact OD2-NE 2.7Å; D565-R713 IonicContact OD2-NH2 2.68Å; D565-R713 PolarHBondContact OD2-NH2 2.89Å
566	I	82.2	Confident	74.1	Confident	16 Å²	16	69.9 Å²	69.9	8%	0.082	37%	0.367	C	S	.	.			trans	-107.6	127.5	-173	-52.5	-179	0	0	0	109.2	T564 F568 V583 V586 V590 L595 F712	T564-I566 PolarHBondContact O-N 2.91Å; T564-I566 VanDerWaalsContact O-N 3.09Å; I566-F568 HydrophobicContact CB-CE2 3.98Å; I566-F568 HydrophobicContact CB-CZ 4.1Å; I566-F568 HydrophobicContact CG2-CE1 4.18Å; I566-F568 HydrophobicContact CG2-CE2 4.01Å; I566-F568 HydrophobicContact CG2-CZ 3.81Å; I566-F568 WeakPolarHBondContact O-CD2 3.42Å; I566-V583 HydrophobicContact CG2-CG1 3.9Å; I566-V586 HydrophobicContact CD1-CG1 3.93Å; I566-V586 HydrophobicContact CG1-CG1 4.14Å; I566-V586 HydrophobicContact CG2-CG1 4.28Å; I566-V590 HydrophobicContact CD1-CG1 4.27Å; I566-V590 HydrophobicContact CD1-CG2 4.4Å; I566-L595 HydrophobicContact CD1-CD1 4.36Å; I566-L595 HydrophobicContact CD1-CD2 4.18Å; I566-F712 HydrophobicContact CD1-CD2 3.96Å
567	F	83.8	Confident	72.7	Confident	126 Å²	126	73.6 Å²	73.6	55%	0.553	38%	0.384	S	S	*	.			trans	-80.1	137.5	172.3	-175.8	-106.6	0	0	0	111.1	W524 G584	W524-F567 HydrophobicContact CH2-CD1 4.34Å; W524-F567 HydrophobicContact CH2-CE1 4.33Å; F567-G584 PolarHBondContact O-N 2.91Å
568	F	85.4	Confident	71.6	Confident	4 Å²	4	76.8 Å²	76.8	2%	0.018	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.1	174.3	-59.9	-86.2	0	0	0	109.9	L556 L559 Q560 I566 F582 V583 L595	L556-F568 HydrophobicContact CD1-CB 3.82Å; L559-F568 HydrophobicContact CB-CB 4.46Å; L559-F568 HydrophobicContact CB-CD1 4.35Å; L559-F568 HydrophobicContact CB-CD2 3.97Å; L559-F568 HydrophobicContact CB-CE2 4.25Å; L559-F568 HydrophobicContact CB-CG 4.02Å; L559-F568 HydrophobicContact CD1-CD1 4.12Å; L559-F568 HydrophobicContact CD1-CE1 4.31Å; L559-F568 HydrophobicContact CD2-CE1 4.45Å; L559-F568 HydrophobicContact CD2-CZ 4.34Å; Q560-F568 HydrophobicContact CG-CB 4.49Å; Q560-F568 PolarHBondContact NE2-O 3.4Å; I566-F568 HydrophobicContact CB-CE2 3.98Å; I566-F568 HydrophobicContact CB-CZ 4.1Å; I566-F568 HydrophobicContact CG2-CE1 4.18Å; I566-F568 HydrophobicContact CG2-CE2 4.01Å; I566-F568 HydrophobicContact CG2-CZ 3.81Å; I566-F568 WeakPolarHBondContact O-CD2 3.42Å; F568-F582 WeakPolarHBondContact CA-O 3.5Å; F568-V583 HydrophobicContact CD1-CG2 4.13Å; F568-V583 HydrophobicContact CE1-CB 4.48Å; F568-V583 HydrophobicContact CE1-CG1 4.05Å; F568-V583 HydrophobicContact CE1-CG2 4.01Å; F568-L595 HydrophobicContact CE1-CD1 4.26Å; F568-L595 HydrophobicContact CZ-CD1 3.97Å
569	S	82.6	Confident	70.9	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.021	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	176.1	175.7	73.7	0	0	0	0	113.2	D571 F582	S569-D571 WeakPolarHBondContact CB-OD2 3.4Å; S569-D571 VanDerWaalsContact OG-CG 3.31Å; S569-D571 PolarHBondContact OG-OD2 3.5Å; S569-F582 PolarHBondContact N-O 2.8Å; S569-F582 PolarHBondContact O-N 2.97Å
570	T	73.8	Confident	70.7	Confident	53 Å²	53	74.5 Å²	74.5	33%	0.325	39%	0.386	S	S	.	.			trans	-131.2	38.4	172.9	54.6	0	0	0	0	109	L556 C580 I581	L556-T570 HydrophobicContact CB-CG2 4.31Å; L556-T570 HydrophobicContact CD1-CG2 4.44Å; L556-T570 HydrophobicContact CD2-CG2 3.77Å; L556-T570 HydrophobicContact CG-CG2 4.38Å; T570-C580 WeakPolarHBondContact CG2-O 3.43Å; T570-I581 HydrophobicContact CG2-CG1 4.28Å
571	D	59.3	Low	70.7	Confident	58 Å²	58	69.4 Å²	69.4	31%	0.31	36%	0.362	S	S	.	.			trans	-64.5	136.7	-162.7	-67.2	-43.7	0	0	0	113	S569 E573 F574	S569-D571 WeakPolarHBondContact CB-OD2 3.4Å; S569-D571 VanDerWaalsContact OG-CG 3.31Å; S569-D571 PolarHBondContact OG-OD2 3.5Å; D571-E573 PolarHBondContact O-N 3.33Å; D571-F574 HydrophobicContact CB-CD2 4.27Å
572	P	53.8	Low	70.8	Confident	109 Å²	109	63.9 Å²	63.9	71%	0.708	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-73.4	-11.7	-174.2	30.4	-36.1	0	0	0	114.1	F574	P572-F574 VanDerWaalsContact C-N 3.33Å; P572-F574 PolarHBondContact O-N 2.95Å
573	E	53.7	Low	71.1	Confident	172 Å²	172	62 Å²	62	80%	0.804	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-73.5	-21.9	-175	-59.7	-167.6	142.9	0	0	113.6	D571	D571-E573 PolarHBondContact O-N 3.33Å
574	F	55.6	Low	72	Confident	54 Å²	54	56.1 Å²	56.1	24%	0.237	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-108.1	20.7	-174.2	-55.3	-80.5	0	0	0	113.7	S523 W524 D571 P572 T576 F582	S523-F574 VanDerWaalsContact O-CD1 3.23Å; S523-F574 WeakPolarHBondContact O-CD1 3.23Å; S523-F574 VanDerWaalsContact O-CE1 3.29Å; S523-F574 WeakPolarHBondContact O-CE1 3.46Å; W524-F574 HydrophobicContact CE3-CD1 4.5Å; W524-F574 AromaticContact CE3-CD2 3.8Å; W524-F574 HydrophobicContact CE3-CD2 3.8Å; W524-F574 AromaticContact CE3-CE2 3.94Å; W524-F574 HydrophobicContact CE3-CE2 3.94Å; W524-F574 HydrophobicContact CE3-CG 4.11Å; W524-F574 HydrophobicContact CE3-CZ 4.35Å; W524-F574 AromaticContact CZ3-CD2 3.9Å; W524-F574 HydrophobicContact CZ3-CD2 3.9Å; W524-F574 AromaticContact CZ3-CE2 3.77Å; W524-F574 HydrophobicContact CZ3-CE2 3.77Å; W524-F574 HydrophobicContact CZ3-CZ 4.41Å; D571-F574 HydrophobicContact CB-CD2 4.27Å; P572-F574 VanDerWaalsContact C-N 3.33Å; P572-F574 PolarHBondContact O-N 2.95Å; F574-T576 PolarHBondContact O-N 2.86Å; F574-F582 HydrophobicContact CB-CE1 4.31Å; F574-F582 HydrophobicContact CB-CZ 3.99Å
575	V	53.6	Low	72.5	Confident	76 Å²	76	55.5 Å²	55.5	46%	0.461	29%	0.291	S	S	.	.			trans	-91.3	108.3	-163.3	176.8	0	0	0	0	113.8
576	T	52.4	Low	73.2	Confident	110 Å²	110	51.4 Å²	51.4	68%	0.675	27%	0.269	S	S	*	.	S	Bend	trans	-95	-33.5	156.6	56.4	0	0	0	0	112.9	E521 F574	E521-T576 WeakPolarHBondContact OE2-CG2 3.4Å; E521-T576 PolarHBondContact OE2-OG1 2.86Å; F574-T576 PolarHBondContact O-N 2.86Å
577	E	57.2	Low	73.4	Confident	95 Å²	95	52.8 Å²	52.8	44%	0.444	28%	0.278	S	S	.	.	S	Bend	trans	-127.2	139.4	175.3	-66.8	-162	164.3	0	0	112.9	R531 C580	R531-E577 IonicContact CZ-OE2 3.51Å; R531-E577 VanDerWaalsContact CZ-OE2 3.22Å; R531-E577 IonicContact NH1-OE2 3.2Å; R531-E577 PolarHBondContact NH1-OE2 3.38Å; R531-E577 IonicContact NH2-OE2 3.82Å; R531-E577 PolarHBondContact NH2-OE2 2.68Å; E577-C580 PolarHBondContact O-SG 3.49Å
578	E	64.3	Low	73.4	Confident	138 Å²	138	51.1 Å²	51.1	65%	0.645	28%	0.275	S	S	*	.	S	Bend	trans	-70.1	149.4	180	-61.3	-176.8	156.5	0	0	113.5
579	N	72.5	Confident	73.3	Confident	28 Å²	28	52.3 Å²	52.3	15%	0.15	28%	0.282	C	S	.	.	S	Bend	trans	66.9	50.2	168.3	-42.2	-59.9	0	0	0	114.7	K549 N552	K549-N579 WeakPolarHBondContact CB-OD1 3.48Å; K549-N579 VanDerWaalsContact CD-OD1 3.3Å; K549-N579 WeakPolarHBondContact CD-OD1 3.19Å; K549-N579 WeakPolarHBondContact CG-OD1 3.39Å; N552-N579 PolarHBondContact ND2-O 3.13Å
580	C	82.7	Confident	73.4	Confident	7 Å²	7	52.5 Å²	52.5	5%	0.047	28%	0.283	C	S	.	.			trans	-110.4	139.6	179.5	-51.3	0	0	0	0	110.7	I519 T570 E577 F582	I519-C580 HydrophobicContact CD1-CB 4.2Å; I519-C580 WeakPolarHBondContact CD1-SG 3.29Å; T570-C580 WeakPolarHBondContact CG2-O 3.43Å; E577-C580 PolarHBondContact O-SG 3.49Å; C580-F582 HydrophobicContact CB-CE2 4.44Å
581	I	86.8	Confident	74.1	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.1	171.4	-58.4	178.5	0	0	0	108.1	A529 V530 N552 L555 L556 L559 T570	A529-I581 WeakPolarHBondContact CA-O 3.43Å; V530-I581 HydrophobicContact CG2-CB 4.39Å; V530-I581 PolarHBondContact N-O 3.4Å; V530-I581 PolarHBondContact O-N 2.65Å; N552-I581 HydrophobicContact CB-CD1 4.33Å; N552-I581 HydrophobicContact CB-CG1 4.31Å; L555-I581 HydrophobicContact CB-CD1 3.88Å; L555-I581 HydrophobicContact CD2-CD1 3.67Å; L555-I581 HydrophobicContact CG-CD1 3.61Å; L556-I581 HydrophobicContact CD1-CG2 4.43Å; L559-I581 HydrophobicContact CD1-CD1 4.41Å; L559-I581 HydrophobicContact CD1-CG2 4.19Å; T570-I581 HydrophobicContact CG2-CG1 4.28Å
582	F	87.3	Confident	75.5	Confident	7 Å²	7	49.4 Å²	49.4	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.1	176.9	-67.6	-83.4	0	0	0	110.5	E521 W524 A529 F568 S569 F574 C580	E521-F582 HydrophobicContact CB-CE1 4.14Å; E521-F582 HydrophobicContact CG-CE1 3.97Å; E521-F582 HydrophobicContact CG-CZ 4.49Å; W524-F582 HydrophobicContact CB-CD1 4Å; W524-F582 HydrophobicContact CB-CE1 4.15Å; W524-F582 HydrophobicContact CD2-CB 3.92Å; W524-F582 AromaticContact CD2-CD1 3.6Å; W524-F582 HydrophobicContact CD2-CD1 3.6Å; W524-F582 HydrophobicContact CD2-CE1 4.42Å; W524-F582 HydrophobicContact CD2-CG 4.03Å; W524-F582 HydrophobicContact CE3-CB 4.2Å; W524-F582 AromaticContact CE3-CD1 3.9Å; W524-F582 HydrophobicContact CE3-CD1 3.9Å; W524-F582 HydrophobicContact CE3-CG 4.11Å; W524-F582 AromaticContact CG-CD1 3.6Å; W524-F582 HydrophobicContact CG-CD1 3.6Å; W524-F582 HydrophobicContact CG-CE1 4.25Å; W524-F582 HydrophobicContact CG-CG 4.46Å; W524-F582 HydrophobicContact CH2-CB 3.93Å; W524-F582 HydrophobicContact CZ2-CB 3.64Å; W524-F582 HydrophobicContact CZ3-CB 4.2Å; W524-F582 HydrophobicContact CZ3-CG 4.4Å; A529-F582 HydrophobicContact CB-CD1 3.75Å; A529-F582 HydrophobicContact CB-CE1 3.77Å; F568-F582 WeakPolarHBondContact CA-O 3.5Å; S569-F582 PolarHBondContact N-O 2.8Å; S569-F582 PolarHBondContact O-N 2.97Å; F574-F582 HydrophobicContact CB-CE1 4.31Å; F574-F582 HydrophobicContact CB-CZ 3.99Å; C580-F582 HydrophobicContact CB-CE2 4.44Å
583	V	88.3	Confident	77.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.4	175.7	-176	0	0	0	0	108.1	F505 W524 G526 L527 G528 I566 F568 L595 I599	F505-V583 HydrophobicContact CE2-CG2 4.36Å; F505-V583 HydrophobicContact CZ-CB 4.29Å; F505-V583 HydrophobicContact CZ-CG2 3.79Å; W524-V583 PolarHBondContact NE1-O 2.97Å; G526-V583 CarbonylContact C-O 3.5Å; L527-V583 HydrophobicContact CB-CB 4.22Å; L527-V583 HydrophobicContact CB-CG1 3.93Å; L527-V583 HydrophobicContact CD2-CG1 4.11Å; L527-V583 PolarHBondContact N-O 3.38Å; G528-V583 PolarHBondContact N-O 3.44Å; G528-V583 PolarHBondContact O-N 3.22Å; I566-V583 HydrophobicContact CG2-CG1 3.9Å; F568-V583 HydrophobicContact CD1-CG2 4.13Å; F568-V583 HydrophobicContact CE1-CB 4.48Å; F568-V583 HydrophobicContact CE1-CG1 4.05Å; F568-V583 HydrophobicContact CE1-CG2 4.01Å; V583-L595 HydrophobicContact CG1-CD2 4.19Å; V583-I599 HydrophobicContact CG2-CD1 4.39Å
584	G	86.7	Confident	78.8	Confident	3 Å²	3	42.5 Å²	42.5	3%	0.031	23%	0.229	C	C	.	.			trans	-71.3	-156.4	-174.5	0	0	0	0	0	114.9	G526 L527 F567	G526-G584 WeakPolarHBondContact CA-O 3.38Å; L527-G584 PolarHBondContact N-O 2.83Å; F567-G584 PolarHBondContact O-N 2.91Å
585	M	87.2	Confident	80.3	Confident	15 Å²	15	40 Å²	40	7%	0.074	22%	0.217	C	C	.	.			trans	-66.2	151.8	176.8	-64.3	-64.4	-173.3	0	0	112.3	F434 W437 M494 M495 T498 P525	F434-M585 HydrophobicContact CD1-CE 3.66Å; F434-M585 HydrophobicContact CD1-SD 4.3Å; F434-M585 HydrophobicContact CE1-CE 3.57Å; F434-M585 HydrophobicContact CE1-SD 3.61Å; F434-M585 HydrophobicContact CG-CE 4.2Å; F434-M585 HydrophobicContact CZ-CE 4.04Å; F434-M585 HydrophobicContact CZ-SD 3.96Å; W437-M585 HydrophobicContact CD2-CE 3.69Å; W437-M585 HydrophobicContact CE3-CE 3.5Å; W437-M585 HydrophobicContact CG-CE 4.27Å; W437-M585 HydrophobicContact CH2-CE 4.23Å; W437-M585 HydrophobicContact CH2-CG 3.82Å; W437-M585 HydrophobicContact CZ2-CE 4.41Å; W437-M585 HydrophobicContact CZ2-CG 3.8Å; W437-M585 HydrophobicContact CZ3-CE 3.79Å; W437-M585 HydrophobicContact CZ3-CG 4.29Å; M494-M585 HydrophobicContact CG-CB 3.86Å; M494-M585 HydrophobicContact SD-CB 3.53Å; M494-M585 VanDerWaalsContact SD-CB 3.53Å; M494-M585 HydrophobicContact SD-CG 4.22Å; M495-M585 HydrophobicContact CG-CE 4.3Å; T498-M585 HydrophobicContact CG2-SD 3.85Å; P525-M585 HydrophobicContact CB-CE 3.87Å; P525-M585 WeakPolarHBondContact O-CE 3.45Å
586	V	88.3	Confident	82.1	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.024	20%	0.196	C	C	.	.			trans	-138.6	163.2	-179.5	-64	0	0	0	0	111.9	M494 T498 L501 L527 I566 V590	M494-V586 WeakPolarHBondContact CG-O 3.43Å; M494-V586 VanDerWaalsContact O-O 3.09Å; T498-V586 HydrophobicContact CG2-CG2 4.22Å; T498-V586 PolarHBondContact OG1-N 3Å; T498-V586 PolarHBondContact OG1-O 3.45Å; T498-V586 VanDerWaalsContact OG1-O 3.07Å; L501-V586 HydrophobicContact CB-CG2 4.49Å; L501-V586 HydrophobicContact CD1-CG2 3.87Å; L527-V586 HydrophobicContact CD1-CG2 3.97Å; L527-V586 HydrophobicContact CD2-CG1 4.26Å; I566-V586 HydrophobicContact CD1-CG1 3.93Å; I566-V586 HydrophobicContact CG1-CG1 4.14Å; I566-V586 HydrophobicContact CG2-CG1 4.28Å; V586-V590 HydrophobicContact CB-CB 4.36Å; V586-V590 HydrophobicContact CB-CG2 4.05Å; V586-V590 HydrophobicContact CG1-CG2 4.46Å
587	T	87.3	Confident	83.8	Confident	45 Å²	45	34.6 Å²	34.6	28%	0.276	18%	0.182	S	C	.	.			trans	-105.3	160	175.6	49.5	0	0	0	0	112.2	M494 D589 V590	M494-T587 HydrophobicContact CG-CG2 4.43Å; T587-D589 VanDerWaalsContact CB-OD1 3.29Å; T587-D589 WeakPolarHBondContact CB-OD1 3.39Å; T587-D589 PolarHBondContact O-N 3.36Å; T587-D589 PolarHBondContact OG1-OD1 3Å; T587-V590 WeakPolarHBondContact O-CB 3.23Å; T587-V590 WeakPolarHBondContact O-CG2 3.37Å; T587-V590 PolarHBondContact O-N 3.19Å
588	D	83.5	Confident	85.3	Confident	90 Å²	90	31.4 Å²	31.4	48%	0.481	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.8	-174.9	-78.6	-48.5	0	0	0	114.7	A497 V590 R714	A497-D588 WeakPolarHBondContact CA-OD1 3.47Å; A497-D588 HydrophobicContact CB-CB 4.25Å; A497-D588 VanDerWaalsContact CB-OD1 3.26Å; A497-D588 WeakPolarHBondContact CB-OD1 3.15Å; D588-V590 VanDerWaalsContact C-N 3.34Å; D588-R714 PolarHBondContact O-NH1 3.49Å
589	D	82.7	Confident	86.6	Confident	30 Å²	30	24.9 Å²	24.9	16%	0.16	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-1.5	177.2	67.9	-41.9	0	0	0	114	T587 R713 R714 A717	T587-D589 VanDerWaalsContact CB-OD1 3.29Å; T587-D589 WeakPolarHBondContact CB-OD1 3.39Å; T587-D589 PolarHBondContact O-N 3.36Å; T587-D589 PolarHBondContact OG1-OD1 3Å; D589-R713 CarbonylContact O-C 3.44Å; D589-R713 WeakPolarHBondContact O-CA 3.29Å; D589-R713 WeakPolarHBondContact OD2-CD 3.18Å; D589-R713 WeakPolarHBondContact OD2-CG 3.21Å; D589-R713 IonicContact OD2-CZ 2.79Å; D589-R713 IonicContact OD2-NE 3.58Å; D589-R713 PolarHBondContact OD2-NE 2.86Å; D589-R713 IonicContact OD2-NH1 3.57Å; D589-R713 PolarHBondContact OD2-NH1 3.17Å; D589-R714 WeakPolarHBondContact O-CB 3.34Å; D589-R714 WeakPolarHBondContact O-CG 3.39Å; D589-R714 PolarHBondContact O-N 2.77Å; D589-A717 HydrophobicContact CB-CB 4.3Å
590	V	85.6	Confident	87.4	Confident	7 Å²	7	23.6 Å²	23.6	4%	0.042	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-72.9	129.7	175.9	175.8	0	0	0	0	112	I566 V586 T587 D588 V592 F712 R714	I566-V590 HydrophobicContact CD1-CG1 4.27Å; I566-V590 HydrophobicContact CD1-CG2 4.4Å; V586-V590 HydrophobicContact CB-CB 4.36Å; V586-V590 HydrophobicContact CB-CG2 4.05Å; V586-V590 HydrophobicContact CG1-CG2 4.46Å; T587-V590 WeakPolarHBondContact O-CB 3.23Å; T587-V590 WeakPolarHBondContact O-CG2 3.37Å; T587-V590 PolarHBondContact O-N 3.19Å; D588-V590 VanDerWaalsContact C-N 3.34Å; V590-V592 PolarHBondContact O-N 3.48Å; V590-F712 CarbonylContact C-O 3.5Å; V590-F712 VanDerWaalsContact CA-O 3.3Å; V590-F712 WeakPolarHBondContact CA-O 3.39Å; V590-F712 HydrophobicContact CG1-CB 4.37Å; V590-R714 PolarHBondContact O-NE 3.23Å
591	D	87	Confident	87.7	Confident	40 Å²	40	25.4 Å²	25.4	21%	0.214	14%	0.143	C	C	.	.			trans	-89	97.3	168.6	-159	-41.9	0	0	0	110	S593 E594 L595 F712 R714	D591-S593 PolarHBondContact O-N 3.46Å; D591-S593 WeakPolarHBondContact OD1-CA 3.45Å; D591-S593 VanDerWaalsContact OD1-CB 3.23Å; D591-S593 WeakPolarHBondContact OD1-CB 3.49Å; D591-S593 PolarHBondContact OD1-N 2.87Å; D591-S593 PolarHBondContact OD1-OG 2.87Å; D591-E594 HydrophobicContact CB-CB 4.13Å; D591-E594 PolarHBondContact O-N 3.07Å; D591-E594 VanDerWaalsContact O-N 3.15Å; D591-E594 PolarHBondContact OD1-N 2.9Å; D591-L595 PolarHBondContact O-N 3.14Å; D591-L595 VanDerWaalsContact O-N 3.08Å; D591-F712 PolarHBondContact N-O 2.83Å; D591-R714 HydrophobicContact CB-CG 3.86Å
592	V	88.5	Confident	87.9	Confident	5 Å²	5	27 Å²	27	3%	0.03	15%	0.151	C	C	.	.	H	α-helix	trans	-54	-32.6	176.3	174.2	0	0	0	0	112.2	L501 D504 F505 E508 V590 V596	L501-V592 HydrophobicContact CB-CG2 4.1Å; L501-V592 HydrophobicContact CD1-CG2 4.37Å; L501-V592 HydrophobicContact CD2-CG2 3.96Å; L501-V592 HydrophobicContact CG-CG2 4.37Å; D504-V592 HydrophobicContact CB-CG1 4.29Å; D504-V592 HydrophobicContact CB-CG2 4.44Å; F505-V592 VanDerWaalsContact CA-CG1 3.42Å; F505-V592 HydrophobicContact CB-CG1 3.8Å; F505-V592 HydrophobicContact CD2-CG1 4.14Å; F505-V592 HydrophobicContact CG-CG1 4.49Å; E508-V592 HydrophobicContact CB-CG1 4.24Å; V590-V592 PolarHBondContact O-N 3.48Å; V592-V596 HydrophobicContact CG1-CG2 4.48Å; V592-V596 WeakPolarHBondContact O-CG2 3.17Å; V592-V596 PolarHBondContact O-N 2.62Å
593	S	88.2	Confident	87.9	Confident	56 Å²	56	26.7 Å²	26.7	39%	0.392	15%	0.15	S	C	.	.	H	α-helix	trans	-68.2	-44.9	178.2	-5.4	0	0	0	0	111.9	E508 D591 L595 D597	E508-S593 WeakPolarHBondContact OE2-CB 3.5Å; D591-S593 PolarHBondContact O-N 3.46Å; D591-S593 WeakPolarHBondContact OD1-CA 3.45Å; D591-S593 VanDerWaalsContact OD1-CB 3.23Å; D591-S593 WeakPolarHBondContact OD1-CB 3.49Å; D591-S593 PolarHBondContact OD1-N 2.87Å; D591-S593 PolarHBondContact OD1-OG 2.87Å; S593-L595 VanDerWaalsContact C-N 3.34Å; S593-D597 PolarHBondContact O-N 3.49Å; S593-D597 VanDerWaalsContact O-N 3.11Å
594	E	88.6	Confident	87.9	Confident	81 Å²	81	31 Å²	31	38%	0.379	17%	0.166	S	C	.	.	H	α-helix	trans	-65.2	-39.4	176.1	-165.7	-169.2	147	0	0	111.2	D591 T598 F712	D591-E594 HydrophobicContact CB-CB 4.13Å; D591-E594 PolarHBondContact O-N 3.07Å; D591-E594 VanDerWaalsContact O-N 3.15Å; D591-E594 PolarHBondContact OD1-N 2.9Å; E594-T598 VanDerWaalsContact O-CB 3.23Å; E594-T598 WeakPolarHBondContact O-CB 3.3Å; E594-T598 PolarHBondContact O-N 2.87Å; E594-T598 PolarHBondContact O-OG1 3.03Å; E594-F712 HydrophobicContact CB-CD1 4.26Å; E594-F712 HydrophobicContact CG-CD1 3.92Å; E594-F712 PolarHBondContact OE1-N 2.84Å; E594-F712 WeakPolarHBondContact OE2-CA 3.46Å
595	L	88.9	Confident	88	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-50.1	177.1	177	60.9	0	0	0	112	L527 I566 F568 V583 D591 S593 T598 I599 F712	L527-L595 HydrophobicContact CD2-CD2 3.84Å; I566-L595 HydrophobicContact CD1-CD1 4.36Å; I566-L595 HydrophobicContact CD1-CD2 4.18Å; F568-L595 HydrophobicContact CE1-CD1 4.26Å; F568-L595 HydrophobicContact CZ-CD1 3.97Å; V583-L595 HydrophobicContact CG1-CD2 4.19Å; D591-L595 PolarHBondContact O-N 3.14Å; D591-L595 VanDerWaalsContact O-N 3.08Å; S593-L595 VanDerWaalsContact C-N 3.34Å; L595-T598 PolarHBondContact O-N 3.17Å; L595-I599 HydrophobicContact CD1-CD1 4.02Å; L595-I599 HydrophobicContact CD1-CG1 4.46Å; L595-I599 HydrophobicContact CG-CD1 4.12Å; L595-I599 WeakPolarHBondContact O-CG1 3.38Å; L595-I599 PolarHBondContact O-N 3.39Å; L595-F712 HydrophobicContact CB-CD1 4.48Å; L595-F712 HydrophobicContact CB-CG 4.35Å; L595-F712 HydrophobicContact CD1-CD2 3.83Å; L595-F712 HydrophobicContact CD1-CE2 3.58Å; L595-F712 HydrophobicContact CD1-CG 4.4Å; L595-F712 HydrophobicContact CD1-CZ 4Å
596	V	89.7	Confident	88	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-69.8	-40	-177.8	175.9	0	0	0	0	112.1	F505 E508 H512 L516 V592 T598 I599 S600	F505-V596 HydrophobicContact CD2-CG2 3.58Å; F505-V596 HydrophobicContact CE2-CG2 3.66Å; E508-V596 HydrophobicContact CB-CB 4.41Å; E508-V596 HydrophobicContact CB-CG2 4.14Å; E508-V596 HydrophobicContact CG-CB 3.74Å; E508-V596 HydrophobicContact CG-CG1 4Å; E508-V596 HydrophobicContact CG-CG2 3.98Å; H512-V596 HydrophobicContact CB-CG1 4.26Å; H512-V596 WeakPolarHBondContact ND1-CG1 3.3Å; L516-V596 HydrophobicContact CD1-CG1 3.81Å; V592-V596 HydrophobicContact CG1-CG2 4.48Å; V592-V596 WeakPolarHBondContact O-CG2 3.17Å; V592-V596 PolarHBondContact O-N 2.62Å; V596-T598 VanDerWaalsContact C-N 3.3Å; V596-T598 PolarHBondContact O-N 2.76Å; V596-I599 PolarHBondContact O-N 2.86Å; V596-S600 VanDerWaalsContact O-CB 3.27Å; V596-S600 WeakPolarHBondContact O-CB 3.45Å; V596-S600 PolarHBondContact O-N 2.92Å
597	D	89.9	Confident	88	Confident	72 Å²	72	37.9 Å²	37.9	39%	0.385	20%	0.201	S	C	.	.	H	α-helix	trans	-67.2	-31.9	173.3	-173.2	38.7	0	0	0	111.6	S593 S600 T601 R604	S593-D597 PolarHBondContact O-N 3.49Å; S593-D597 VanDerWaalsContact O-N 3.11Å; D597-S600 PolarHBondContact O-N 2.93Å; D597-T601 WeakPolarHBondContact O-CB 3.3Å; D597-T601 WeakPolarHBondContact O-CG2 3.35Å; D597-T601 PolarHBondContact O-N 2.67Å; D597-T601 PolarHBondContact O-OG1 2.98Å; D597-R604 IonicContact OD1-NH2 2.87Å; D597-R604 PolarHBondContact OD1-NH2 2.96Å
598	T	88.6	Confident	88	Confident	28 Å²	28	40.1 Å²	40.1	17%	0.172	21%	0.208	C	C	.	.	H	α-helix	trans	-67.2	-41.9	173.8	-60.4	0	0	0	0	112.2	L562 E594 L595 V596 S600 T601 L602 F712	L562-T598 HydrophobicContact CD1-CG2 4.48Å; E594-T598 VanDerWaalsContact O-CB 3.23Å; E594-T598 WeakPolarHBondContact O-CB 3.3Å; E594-T598 PolarHBondContact O-N 2.87Å; E594-T598 PolarHBondContact O-OG1 3.03Å; L595-T598 PolarHBondContact O-N 3.17Å; V596-T598 VanDerWaalsContact C-N 3.3Å; V596-T598 PolarHBondContact O-N 2.76Å; T598-S600 VanDerWaalsContact C-N 3.33Å; T598-S600 PolarHBondContact O-N 3.19Å; T598-T601 WeakPolarHBondContact CA-OG1 3.27Å; T598-T601 PolarHBondContact O-OG1 2.73Å; T598-T601 VanDerWaalsContact O-OG1 3.08Å; T598-L602 HydrophobicContact CG2-CD1 3.88Å; T598-L602 HydrophobicContact CG2-CG 4.34Å; T598-L602 WeakPolarHBondContact O-CB 3.27Å; T598-L602 VanDerWaalsContact O-CG 3.27Å; T598-L602 WeakPolarHBondContact O-CG 3.33Å; T598-L602 PolarHBondContact O-N 2.86Å; T598-F712 HydrophobicContact CG2-CE1 3.78Å; T598-F712 HydrophobicContact CG2-CZ 3.82Å; T598-F712 WeakPolarHBondContact OG1-CE1 3.22Å
599	I	89.9	Confident	88.1	Confident	2 Å²	2	39 Å²	39	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-41.7	172.5	-65	164.4	0	0	0	110.3	L516 V530 L555 L559 V583 L595 V596 G603	L516-I599 HydrophobicContact CD1-CG2 4.25Å; L516-I599 HydrophobicContact CD2-CG2 4.03Å; V530-I599 HydrophobicContact CG2-CG2 4.35Å; L555-I599 HydrophobicContact CD2-CG2 4.26Å; L559-I599 HydrophobicContact CD1-CG1 4.27Å; L559-I599 HydrophobicContact CD2-CG1 4.02Å; V583-I599 HydrophobicContact CG2-CD1 4.39Å; L595-I599 HydrophobicContact CD1-CD1 4.02Å; L595-I599 HydrophobicContact CD1-CG1 4.46Å; L595-I599 HydrophobicContact CG-CD1 4.12Å; L595-I599 WeakPolarHBondContact O-CG1 3.38Å; L595-I599 PolarHBondContact O-N 3.39Å; V596-I599 PolarHBondContact O-N 2.86Å; I599-G603 PolarHBondContact O-N 2.75Å
600	S	89.9	Confident	88.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-39	-180	-164.8	0	0	0	0	113	S515 V596 D597 T598 R604	S515-S600 PolarHBondContact OG-OG 2.98Å; S515-S600 VanDerWaalsContact OG-OG 3.06Å; V596-S600 VanDerWaalsContact O-CB 3.27Å; V596-S600 WeakPolarHBondContact O-CB 3.45Å; V596-S600 PolarHBondContact O-N 2.92Å; D597-S600 PolarHBondContact O-N 2.93Å; T598-S600 VanDerWaalsContact C-N 3.33Å; T598-S600 PolarHBondContact O-N 3.19Å; S600-R604 WeakPolarHBondContact O-CG 3.42Å; S600-R604 PolarHBondContact O-N 2.76Å; S600-R604 PolarHBondContact O-NH1 2.89Å; S600-R604 PolarHBondContact OG-NH1 3.36Å
601	T	89.8	Confident	88.1	Confident	46 Å²	46	45 Å²	45	28%	0.282	24%	0.239	S	C	.	.	H	α-helix	trans	-71.7	-47.3	175.7	44.7	0	0	0	0	111.9	D597 T598 G603 R604 D605	D597-T601 WeakPolarHBondContact O-CB 3.3Å; D597-T601 WeakPolarHBondContact O-CG2 3.35Å; D597-T601 PolarHBondContact O-N 2.67Å; D597-T601 PolarHBondContact O-OG1 2.98Å; T598-T601 WeakPolarHBondContact CA-OG1 3.27Å; T598-T601 PolarHBondContact O-OG1 2.73Å; T598-T601 VanDerWaalsContact O-OG1 3.08Å; T601-G603 VanDerWaalsContact C-N 3.31Å; T601-G603 PolarHBondContact O-N 3.48Å; T601-R604 WeakPolarHBondContact O-CB 3.23Å; T601-R604 PolarHBondContact O-N 3.32Å; T601-D605 PolarHBondContact O-N 3.46Å
602	L	89.6	Confident	87.9	Confident	36 Å²	36	48 Å²	48	19%	0.188	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-40.7	177	-71.9	172.4	0	0	0	111.8	L555 L559 L562 T598 D605 I606	L555-L602 HydrophobicContact CD1-CB 3.43Å; L555-L602 VanDerWaalsContact CD1-CB 3.43Å; L555-L602 HydrophobicContact CD1-CD1 4.41Å; L559-L602 HydrophobicContact CD2-CD1 3.89Å; L559-L602 HydrophobicContact CG-CD1 4.48Å; L562-L602 HydrophobicContact CD1-CD1 4.48Å; T598-L602 HydrophobicContact CG2-CD1 3.88Å; T598-L602 HydrophobicContact CG2-CG 4.34Å; T598-L602 WeakPolarHBondContact O-CB 3.27Å; T598-L602 VanDerWaalsContact O-CG 3.27Å; T598-L602 WeakPolarHBondContact O-CG 3.33Å; T598-L602 PolarHBondContact O-N 2.86Å; L602-D605 PolarHBondContact O-N 3.48Å; L602-I606 WeakPolarHBondContact O-CB 3.44Å; L602-I606 WeakPolarHBondContact O-CD1 3.37Å; L602-I606 VanDerWaalsContact O-CG1 3.23Å; L602-I606 WeakPolarHBondContact O-CG1 3.44Å; L602-I606 PolarHBondContact O-N 2.89Å
603	G	88.1	Confident	87.6	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-44.9	173.8	0	0	0	0	0	112.8	Y532 I599 T601 I606 E607	Y532-G603 VanDerWaalsContact CE2-C 3.48Å; I599-G603 PolarHBondContact O-N 2.75Å; T601-G603 VanDerWaalsContact C-N 3.31Å; T601-G603 PolarHBondContact O-N 3.48Å; G603-I606 PolarHBondContact O-N 2.92Å; G603-E607 WeakPolarHBondContact O-CB 3.4Å; G603-E607 PolarHBondContact O-N 2.87Å
604	R	87.8	Confident	87.3	Confident	90 Å²	90	55.5 Å²	55.5	34%	0.34	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-46.7	173.8	-77.2	-173.7	-66.9	-92.8	3.8	112.4	Y532 D597 S600 T601 I606 E607 E608	Y532-R604 HydrophobicContact CE2-CG 4.47Å; Y532-R604 WeakPolarHBondContact OH-CA 3.23Å; Y532-R604 WeakPolarHBondContact OH-CG 3.34Å; D597-R604 IonicContact OD1-NH2 2.87Å; D597-R604 PolarHBondContact OD1-NH2 2.96Å; S600-R604 WeakPolarHBondContact O-CG 3.42Å; S600-R604 PolarHBondContact O-N 2.76Å; S600-R604 PolarHBondContact O-NH1 2.89Å; S600-R604 PolarHBondContact OG-NH1 3.36Å; T601-R604 WeakPolarHBondContact O-CB 3.23Å; T601-R604 PolarHBondContact O-N 3.32Å; R604-I606 VanDerWaalsContact C-N 3.29Å; R604-I606 PolarHBondContact O-N 3.38Å; R604-E607 PolarHBondContact O-N 3.28Å; R604-E608 WeakPolarHBondContact O-CB 3.37Å; R604-E608 VanDerWaalsContact O-CG 3.23Å; R604-E608 WeakPolarHBondContact O-CG 3.37Å; R604-E608 PolarHBondContact O-N 3.07Å
605	D	88.9	Confident	87	Confident	99 Å²	99	55.1 Å²	55.1	53%	0.529	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-35.7	-178.6	-77.6	0	0	0	0	111.8	T601 L602 S609	T601-D605 PolarHBondContact O-N 3.46Å; L602-D605 PolarHBondContact O-N 3.48Å; D605-S609 WeakPolarHBondContact O-CB 3.45Å; D605-S609 PolarHBondContact O-N 2.74Å; D605-S609 PolarHBondContact O-OG 3.43Å
606	I	88.1	Confident	86.7	Confident	35 Å²	35	59.3 Å²	59.3	18%	0.179	31%	0.307	C	S	.	.	H	α-helix	trans	-68.8	-45.5	173.5	-69.1	165.7	0	0	0	111	I551 A554 L555 K558 L602 G603 R604 S609 G610	I551-I606 HydrophobicContact CB-CG2 4.43Å; I551-I606 HydrophobicContact CG1-CG2 4.34Å; I551-I606 HydrophobicContact CG2-CG2 4.12Å; A554-I606 HydrophobicContact CB-CD1 4.29Å; A554-I606 HydrophobicContact CB-CG2 4.13Å; L555-I606 HydrophobicContact CB-CD1 3.86Å; L555-I606 HydrophobicContact CD1-CD1 4.17Å; K558-I606 HydrophobicContact CG-CD1 4.36Å; L602-I606 WeakPolarHBondContact O-CB 3.44Å; L602-I606 WeakPolarHBondContact O-CD1 3.37Å; L602-I606 VanDerWaalsContact O-CG1 3.23Å; L602-I606 WeakPolarHBondContact O-CG1 3.44Å; L602-I606 PolarHBondContact O-N 2.89Å; G603-I606 PolarHBondContact O-N 2.92Å; R604-I606 VanDerWaalsContact C-N 3.29Å; R604-I606 PolarHBondContact O-N 3.38Å; I606-S609 PolarHBondContact O-N 3.07Å; I606-G610 PolarHBondContact O-N 2.96Å
607	E	87.3	Confident	86.4	Confident	33 Å²	33	63.6 Å²	63.6	15%	0.154	33%	0.333	C	S	.	.	H	α-helix	trans	-63.3	-45.4	176.9	-176.6	174.9	-155.4	0	0	111.9	Y532 S534 Q535 I551 G603 R604 G610 R611	Y532-E607 HydrophobicContact CE1-CB 4.31Å; Y532-E607 WeakPolarHBondContact CE1-OE2 3.44Å; Y532-E607 PolarHBondContact OH-OE2 3.4Å; S534-E607 VanDerWaalsContact CA-OE1 3.28Å; S534-E607 WeakPolarHBondContact CA-OE1 3.47Å; S534-E607 VanDerWaalsContact CB-OE1 3.27Å; S534-E607 WeakPolarHBondContact CB-OE1 3.44Å; S534-E607 PolarHBondContact OG-OE1 2.89Å; Q535-E607 PolarHBondContact N-OE1 2.8Å; I551-E607 HydrophobicContact CD1-CB 4.39Å; I551-E607 HydrophobicContact CD1-CG 4.46Å; G603-E607 WeakPolarHBondContact O-CB 3.4Å; G603-E607 PolarHBondContact O-N 2.87Å; R604-E607 PolarHBondContact O-N 3.28Å; E607-G610 PolarHBondContact O-N 3.16Å; E607-R611 VanDerWaalsContact O-CB 3.27Å; E607-R611 WeakPolarHBondContact O-CB 3.44Å; E607-R611 PolarHBondContact O-N 2.99Å
608	E	86.8	Confident	86.1	Confident	92 Å²	92	66.4 Å²	66.4	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-43.1	175.9	-67.5	-116.1	136	0	0	111.3	R604 R611 L612	R604-E608 WeakPolarHBondContact O-CB 3.37Å; R604-E608 VanDerWaalsContact O-CG 3.23Å; R604-E608 WeakPolarHBondContact O-CG 3.37Å; R604-E608 PolarHBondContact O-N 3.07Å; E608-R611 PolarHBondContact O-N 3.46Å; E608-R611 IonicContact OE1-CZ 3.72Å; E608-R611 IonicContact OE1-NH1 3.16Å; E608-R611 PolarHBondContact OE1-NH1 2.97Å; E608-R611 IonicContact OE1-NH2 2.75Å; E608-R611 PolarHBondContact OE1-NH2 3.48Å; E608-R611 IonicContact OE2-NH2 2.8Å; E608-R611 PolarHBondContact OE2-NH2 2.73Å; E608-L612 WeakPolarHBondContact O-CB 3.44Å; E608-L612 VanDerWaalsContact O-CG 3.27Å; E608-L612 WeakPolarHBondContact O-CG 3.47Å; E608-L612 PolarHBondContact O-N 2.99Å
609	S	86.9	Confident	85.8	Confident	65 Å²	65	72 Å²	72	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-63.9	-43.9	176.3	-64.2	0	0	0	0	112	D605 I606 L612 L613	D605-S609 WeakPolarHBondContact O-CB 3.45Å; D605-S609 PolarHBondContact O-N 2.74Å; D605-S609 PolarHBondContact O-OG 3.43Å; I606-S609 PolarHBondContact O-N 3.07Å; S609-L612 PolarHBondContact O-N 3.11Å; S609-L613 WeakPolarHBondContact O-CG 3.18Å; S609-L613 PolarHBondContact O-N 3.4Å
610	G	84.6	Confident	85.5	Confident	39 Å²	39	74.2 Å²	74.2	40%	0.402	38%	0.376	S	S	.	.	H	α-helix	trans	-60.9	-46.5	174.3	0	0	0	0	0	112	I606 E607 L612 L613 E614	I606-G610 PolarHBondContact O-N 2.96Å; E607-G610 PolarHBondContact O-N 3.16Å; G610-L612 VanDerWaalsContact C-N 3.34Å; G610-L612 PolarHBondContact O-N 2.92Å; G610-L613 PolarHBondContact O-N 3.5Å; G610-E614 PolarHBondContact O-N 3.01Å
611	R	82.2	Confident	85.2	Confident	125 Å²	125	83 Å²	83	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-62.2	-38.5	176.1	-171	-178	68.4	-158.1	-2.6	112.1	E607 E608 N615	E607-R611 VanDerWaalsContact O-CB 3.27Å; E607-R611 WeakPolarHBondContact O-CB 3.44Å; E607-R611 PolarHBondContact O-N 2.99Å; E608-R611 PolarHBondContact O-N 3.46Å; E608-R611 IonicContact OE1-CZ 3.72Å; E608-R611 IonicContact OE1-NH1 3.16Å; E608-R611 PolarHBondContact OE1-NH1 2.97Å; E608-R611 IonicContact OE1-NH2 2.75Å; E608-R611 PolarHBondContact OE1-NH2 3.48Å; E608-R611 IonicContact OE2-NH2 2.8Å; E608-R611 PolarHBondContact OE2-NH2 2.73Å; R611-N615 WeakPolarHBondContact O-CB 3.24Å; R611-N615 PolarHBondContact O-N 3.29Å; R611-N615 PolarHBondContact O-ND2 2.98Å
612	L	83.1	Confident	85	Confident	102 Å²	102	86.8 Å²	86.8	53%	0.534	42%	0.421	S	S	.	.	H	α-helix	trans	-65.4	-42.5	174.1	-76.8	167.1	0	0	0	111.5	E608 S609 G610 N615 M616	E608-L612 WeakPolarHBondContact O-CB 3.44Å; E608-L612 VanDerWaalsContact O-CG 3.27Å; E608-L612 WeakPolarHBondContact O-CG 3.47Å; E608-L612 PolarHBondContact O-N 2.99Å; S609-L612 PolarHBondContact O-N 3.11Å; G610-L612 VanDerWaalsContact C-N 3.34Å; G610-L612 PolarHBondContact O-N 2.92Å; L612-N615 PolarHBondContact O-N 2.84Å; L612-M616 WeakPolarHBondContact O-CB 3.39Å; L612-M616 WeakPolarHBondContact O-CG 3.22Å; L612-M616 PolarHBondContact O-N 3.27Å
613	L	82.8	Confident	84.8	Confident	112 Å²	112	85.2 Å²	85.2	59%	0.586	41%	0.414	S	S	*	.	H	α-helix	trans	-65.9	-39.6	176.3	-72	169.1	0	0	0	112.6	S609 G610 M616 T617	S609-L613 WeakPolarHBondContact O-CG 3.18Å; S609-L613 PolarHBondContact O-N 3.4Å; G610-L613 PolarHBondContact O-N 3.5Å; L613-M616 PolarHBondContact O-N 3.34Å; L613-T617 VanDerWaalsContact O-CB 3.3Å; L613-T617 WeakPolarHBondContact O-CB 3.35Å; L613-T617 PolarHBondContact O-N 3.36Å; L613-T617 PolarHBondContact O-OG1 2.63Å
614	E	81.4	Confident	84.6	Confident	107 Å²	107	89.5 Å²	89.5	50%	0.5	44%	0.436	S	S	.	.	H	α-helix	trans	-67.3	-43.4	174.5	-166.8	171.2	-152.4	0	0	111.2	R543 G610 M616 T617 E618	R543-E614 IonicContact CZ-OE1 3.84Å; R543-E614 IonicContact NH2-OE1 2.73Å; R543-E614 PolarHBondContact NH2-OE1 2.97Å; R543-E614 IonicContact NH2-OE2 2.66Å; G610-E614 PolarHBondContact O-N 3.01Å; E614-M616 VanDerWaalsContact C-N 3.35Å; E614-M616 PolarHBondContact O-N 2.9Å; E614-T617 PolarHBondContact O-N 2.76Å; E614-T617 VanDerWaalsContact O-N 3.12Å; E614-E618 PolarHBondContact O-N 3.49Å
615	N	83.5	Confident	84.5	Confident	73 Å²	73	90 Å²	90	39%	0.39	45%	0.445	S	S	.	.	H	α-helix	trans	-58.6	-42.4	173.1	-88.9	-86.8	0	0	0	112.6	R611 L612 R619	R611-N615 WeakPolarHBondContact O-CB 3.24Å; R611-N615 PolarHBondContact O-N 3.29Å; R611-N615 PolarHBondContact O-ND2 2.98Å; L612-N615 PolarHBondContact O-N 2.84Å; N615-R619 WeakPolarHBondContact O-CB 3.44Å; N615-R619 VanDerWaalsContact O-CG 3.25Å; N615-R619 WeakPolarHBondContact O-CG 3.45Å; N615-R619 PolarHBondContact O-N 2.85Å
616	M	81.2	Confident	84.3	Confident	89 Å²	89	89.5 Å²	89.5	44%	0.438	44%	0.44	S	S	.	.	H	α-helix	trans	-65.8	-40.5	174.4	-76.5	-178.1	65.2	0	0	111.4	L612 L613 E614 R619 V620 L672	L612-M616 WeakPolarHBondContact O-CB 3.39Å; L612-M616 WeakPolarHBondContact O-CG 3.22Å; L612-M616 PolarHBondContact O-N 3.27Å; L613-M616 PolarHBondContact O-N 3.34Å; E614-M616 VanDerWaalsContact C-N 3.35Å; E614-M616 PolarHBondContact O-N 2.9Å; M616-R619 PolarHBondContact O-N 2.93Å; M616-V620 WeakPolarHBondContact O-CB 3.49Å; M616-V620 VanDerWaalsContact O-CG2 3.27Å; M616-V620 WeakPolarHBondContact O-CG2 3.36Å; M616-V620 PolarHBondContact O-N 3.21Å; M616-L672 HydrophobicContact CE-CD1 4.32Å; M616-L672 HydrophobicContact CE-CD2 4.46Å
617	T	83.6	Confident	84.1	Confident	90 Å²	90	88.5 Å²	88.5	55%	0.552	44%	0.437	S	S	*	.	H	α-helix	trans	-65.3	-42	178.6	-59.6	0	0	0	0	111.6	L613 E614 V620 R621	L613-T617 VanDerWaalsContact O-CB 3.3Å; L613-T617 WeakPolarHBondContact O-CB 3.35Å; L613-T617 PolarHBondContact O-N 3.36Å; L613-T617 PolarHBondContact O-OG1 2.63Å; E614-T617 PolarHBondContact O-N 2.76Å; E614-T617 VanDerWaalsContact O-N 3.12Å; T617-V620 PolarHBondContact O-N 2.97Å; T617-R621 VanDerWaalsContact O-CB 3.25Å; T617-R621 WeakPolarHBondContact O-CB 3.43Å; T617-R621 PolarHBondContact O-N 3.02Å
618	E	83.8	Confident	84	Confident	131 Å²	131	91.7 Å²	91.7	61%	0.612	45%	0.452	S	S	*	.	H	α-helix	trans	-64.2	-46.5	174.2	-164.7	-162.6	-175	0	0	111.2	E614 V620 R621 K622	E614-E618 PolarHBondContact O-N 3.49Å; E618-V620 VanDerWaalsContact C-N 3.35Å; E618-V620 PolarHBondContact O-N 3.29Å; E618-R621 PolarHBondContact O-N 3.42Å; E618-K622 WeakPolarHBondContact O-CB 3.33Å; E618-K622 PolarHBondContact O-N 3.4Å
619	R	82.7	Confident	84	Confident	147 Å²	147	92.7 Å²	92.7	56%	0.555	46%	0.459	S	S	*	.	H	α-helix	trans	-59.8	-42.4	176.4	-74.3	175.7	-175.4	-157.4	3.6	112.4	N615 M616 G623 F670	N615-R619 WeakPolarHBondContact O-CB 3.44Å; N615-R619 VanDerWaalsContact O-CG 3.25Å; N615-R619 WeakPolarHBondContact O-CG 3.45Å; N615-R619 PolarHBondContact O-N 2.85Å; M616-R619 PolarHBondContact O-N 2.93Å; R619-G623 PolarHBondContact O-N 3.18Å; R619-F670 HydrophobicContact CB-CZ 4.42Å; R619-F670 WeakPolarHBondContact O-CZ 3.28Å
620	V	82.7	Confident	83.9	Confident	48 Å²	48	92.6 Å²	92.6	29%	0.291	45%	0.451	S	S	.	.	H	α-helix	trans	-65.1	-45.5	174.7	167.3	0	0	0	0	110.9	M616 T617 E618 K622 G623 I624 F670 L672	M616-V620 WeakPolarHBondContact O-CB 3.49Å; M616-V620 VanDerWaalsContact O-CG2 3.27Å; M616-V620 WeakPolarHBondContact O-CG2 3.36Å; M616-V620 PolarHBondContact O-N 3.21Å; T617-V620 PolarHBondContact O-N 2.97Å; E618-V620 VanDerWaalsContact C-N 3.35Å; E618-V620 PolarHBondContact O-N 3.29Å; V620-K622 VanDerWaalsContact C-N 3.34Å; V620-K622 PolarHBondContact O-N 3.08Å; V620-G623 CarbonylContact O-C 3.5Å; V620-G623 PolarHBondContact O-N 3.34Å; V620-I624 HydrophobicContact CG1-CD1 3.78Å; V620-I624 HydrophobicContact CG1-CG1 4.41Å; V620-I624 VanDerWaalsContact O-CG1 3.28Å; V620-I624 WeakPolarHBondContact O-CG1 3.26Å; V620-I624 PolarHBondContact O-N 3.07Å; V620-F670 HydrophobicContact CB-CE1 4.46Å; V620-F670 HydrophobicContact CG2-CD1 4.09Å; V620-F670 HydrophobicContact CG2-CE1 3.85Å; V620-L672 HydrophobicContact CG2-CD2 3.41Å; V620-L672 VanDerWaalsContact CG2-CD2 3.41Å
621	R	84.8	Confident	83.8	Confident	183 Å²	183	94.1 Å²	94.1	69%	0.691	45%	0.45	S	S	*	.	H	α-helix	trans	-60.4	-42.7	177.8	-171.4	178.3	-167.5	161.5	4.9	111.9	T617 E618 I624 L625	T617-R621 VanDerWaalsContact O-CB 3.25Å; T617-R621 WeakPolarHBondContact O-CB 3.43Å; T617-R621 PolarHBondContact O-N 3.02Å; E618-R621 PolarHBondContact O-N 3.42Å; R621-I624 PolarHBondContact O-N 3Å; R621-L625 WeakPolarHBondContact O-CG 3.39Å; R621-L625 PolarHBondContact O-N 3.5Å; R621-L625 VanDerWaalsContact O-N 3.16Å
622	K	85.6	Confident	83.8	Confident	126 Å²	126	94.1 Å²	94.1	55%	0.548	46%	0.455	S	S	.	.	H	α-helix	trans	-66.9	-43.4	174.4	-170	-179.6	-179.2	-164.8	0	111.6	E618 V620 I624 L625 E626	E618-K622 WeakPolarHBondContact O-CB 3.33Å; E618-K622 PolarHBondContact O-N 3.4Å; V620-K622 VanDerWaalsContact C-N 3.34Å; V620-K622 PolarHBondContact O-N 3.08Å; K622-I624 VanDerWaalsContact C-N 3.32Å; K622-I624 PolarHBondContact O-N 2.91Å; K622-L625 PolarHBondContact O-N 2.81Å; K622-E626 WeakPolarHBondContact CE-OE1 3.37Å; K622-E626 IonicContact NZ-OE1 2.7Å; K622-E626 WeakPolarHBondContact O-CB 3.47Å; K622-E626 WeakPolarHBondContact O-CG 3.43Å; K622-E626 PolarHBondContact O-N 3.17Å
623	G	84.4	Confident	83.9	Confident	4 Å²	4	94.6 Å²	94.6	4%	0.041	45%	0.453	C	S	.	.	H	α-helix	trans	-60.9	-36.5	175	0	0	0	0	0	113.2	R619 V620 A627	R619-G623 PolarHBondContact O-N 3.18Å; V620-G623 CarbonylContact O-C 3.5Å; V620-G623 PolarHBondContact O-N 3.34Å; G623-A627 WeakPolarHBondContact O-CB 3.41Å; G623-A627 PolarHBondContact O-N 3.14Å
624	I	84	Confident	83.7	Confident	90 Å²	90	90.1 Å²	90.1	46%	0.462	43%	0.432	S	S	.	.	H	α-helix	trans	-65	-49	172.9	-70.2	163.4	0	0	0	110.4	V620 R621 K622 E626 A627 E628	V620-I624 HydrophobicContact CG1-CD1 3.78Å; V620-I624 HydrophobicContact CG1-CG1 4.41Å; V620-I624 VanDerWaalsContact O-CG1 3.28Å; V620-I624 WeakPolarHBondContact O-CG1 3.26Å; V620-I624 PolarHBondContact O-N 3.07Å; R621-I624 PolarHBondContact O-N 3Å; K622-I624 VanDerWaalsContact C-N 3.32Å; K622-I624 PolarHBondContact O-N 2.91Å; I624-E626 PolarHBondContact O-N 3.25Å; I624-A627 WeakPolarHBondContact O-CB 3.47Å; I624-A627 PolarHBondContact O-N 2.95Å; I624-A627 VanDerWaalsContact O-N 3.16Å; I624-E628 HydrophobicContact CG2-CG 4.48Å; I624-E628 WeakPolarHBondContact O-CG 3.29Å; I624-E628 PolarHBondContact O-N 2.58Å
625	L	85.8	Confident	83.5	Confident	101 Å²	101	89.3 Å²	89.3	53%	0.529	43%	0.431	S	S	.	.	H	α-helix	trans	-63	-40.5	178.6	-69.4	169.2	0	0	0	112.6	R621 K622 L629	R621-L625 WeakPolarHBondContact O-CG 3.39Å; R621-L625 PolarHBondContact O-N 3.5Å; R621-L625 VanDerWaalsContact O-N 3.16Å; K622-L625 PolarHBondContact O-N 2.81Å; L625-L629 WeakPolarHBondContact O-CB 3.33Å; L625-L629 PolarHBondContact O-N 3.09Å
626	E	85.8	Confident	83.3	Confident	88 Å²	88	92 Å²	92	41%	0.411	44%	0.441	S	S	.	.	H	α-helix	trans	-68.2	-34.3	174.1	-73.3	-177	-164.3	0	0	112.1	K622 I624 Q630 L677	K622-E626 WeakPolarHBondContact CE-OE1 3.37Å; K622-E626 IonicContact NZ-OE1 2.7Å; K622-E626 WeakPolarHBondContact O-CB 3.47Å; K622-E626 WeakPolarHBondContact O-CG 3.43Å; K622-E626 PolarHBondContact O-N 3.17Å; I624-E626 PolarHBondContact O-N 3.25Å; E626-Q630 WeakPolarHBondContact O-CB 3.33Å; E626-Q630 VanDerWaalsContact O-CG 3.25Å; E626-Q630 WeakPolarHBondContact O-CG 3.37Å; E626-Q630 PolarHBondContact O-N 2.97Å; E626-L677 HydrophobicContact CB-CD1 3.58Å
627	A	83.3	Confident	83.2	Confident	14 Å²	14	91.8 Å²	91.8	12%	0.116	44%	0.44	C	S	.	.	H	α-helix	trans	-67.6	-47.3	173.8	0	0	0	0	0	111.5	G623 I624 L629 Q630 L631 R668 L677	G623-A627 WeakPolarHBondContact O-CB 3.41Å; G623-A627 PolarHBondContact O-N 3.14Å; I624-A627 WeakPolarHBondContact O-CB 3.47Å; I624-A627 PolarHBondContact O-N 2.95Å; I624-A627 VanDerWaalsContact O-N 3.16Å; A627-L629 PolarHBondContact O-N 2.87Å; A627-Q630 PolarHBondContact O-N 3.17Å; A627-L631 WeakPolarHBondContact O-CB 3.27Å; A627-L631 WeakPolarHBondContact O-CG 3.27Å; A627-L631 PolarHBondContact O-N 3.02Å; A627-R668 HydrophobicContact CB-CB 4.22Å; A627-R668 HydrophobicContact CB-CG 4.43Å; A627-L677 HydrophobicContact CB-CD1 4.11Å; A627-L677 HydrophobicContact CB-CD2 3.84Å
628	E	86	Confident	82.7	Confident	100 Å²	100	91 Å²	91	47%	0.467	43%	0.429	S	S	.	.	H	α-helix	trans	-58.2	-46	176	-75.1	-177.2	167	0	0	111.4	I624 L631 Q632	I624-E628 HydrophobicContact CG2-CG 4.48Å; I624-E628 WeakPolarHBondContact O-CG 3.29Å; I624-E628 PolarHBondContact O-N 2.58Å; E628-L631 PolarHBondContact O-N 3.17Å; E628-Q632 WeakPolarHBondContact O-CB 3.43Å; E628-Q632 WeakPolarHBondContact O-CG 3.39Å; E628-Q632 PolarHBondContact O-N 3.25Å
629	L	87.1	Confident	82	Confident	113 Å²	113	88.1 Å²	88.1	59%	0.592	42%	0.417	S	S	*	.	H	α-helix	trans	-64.2	-41.8	177.2	-173.3	151.4	0	0	0	112	L625 A627 L631 K633	L625-L629 WeakPolarHBondContact O-CB 3.33Å; L625-L629 PolarHBondContact O-N 3.09Å; A627-L629 PolarHBondContact O-N 2.87Å; L629-L631 VanDerWaalsContact C-N 3.35Å; L629-K633 WeakPolarHBondContact O-CB 3.16Å; L629-K633 PolarHBondContact O-N 3.29Å
630	Q	83.1	Confident	81.4	Confident	62 Å²	62	88.1 Å²	88.1	29%	0.29	43%	0.427	S	S	.	.	H	α-helix	trans	-67.2	-33.3	174.7	-75.3	-177.3	45	0	0	112.9	E626 A627 A634	E626-Q630 WeakPolarHBondContact O-CB 3.33Å; E626-Q630 VanDerWaalsContact O-CG 3.25Å; E626-Q630 WeakPolarHBondContact O-CG 3.37Å; E626-Q630 PolarHBondContact O-N 2.97Å; A627-Q630 PolarHBondContact O-N 3.17Å; Q630-A634 WeakPolarHBondContact O-CB 3.23Å; Q630-A634 PolarHBondContact O-N 3.48Å
631	L	82.8	Confident	80.7	Confident	71 Å²	71	93.1 Å²	93.1	37%	0.372	45%	0.447	S	S	.	.	H	α-helix	trans	-73	-42.1	176.2	-72.8	168.1	0	0	0	111.4	A627 E628 L629 A634 N635 K666 R668	A627-L631 WeakPolarHBondContact O-CB 3.27Å; A627-L631 WeakPolarHBondContact O-CG 3.27Å; A627-L631 PolarHBondContact O-N 3.02Å; E628-L631 PolarHBondContact O-N 3.17Å; L629-L631 VanDerWaalsContact C-N 3.35Å; L631-A634 PolarHBondContact O-N 3.14Å; L631-N635 WeakPolarHBondContact O-CB 3.4Å; L631-N635 PolarHBondContact O-N 3.07Å; L631-K666 WeakPolarHBondContact CD2-O 3.48Å; L631-R668 HydrophobicContact CD2-CG 4.33Å; L631-R668 HydrophobicContact CG-CG 4.32Å
632	Q	82.9	Confident	79.8	Confident	126 Å²	126	87.4 Å²	87.4	59%	0.589	43%	0.428	S	S	*	.	H	α-helix	trans	-59.1	-51.4	172.4	-74.6	176.6	11	0	0	110.6	E628 A634 N635 E636	E628-Q632 WeakPolarHBondContact O-CB 3.43Å; E628-Q632 WeakPolarHBondContact O-CG 3.39Å; E628-Q632 PolarHBondContact O-N 3.25Å; Q632-A634 PolarHBondContact O-N 2.79Å; Q632-N635 CarbonylContact O-C 3.46Å; Q632-N635 WeakPolarHBondContact O-CA 3.42Å; Q632-N635 WeakPolarHBondContact O-CB 3.5Å; Q632-N635 PolarHBondContact O-N 3.4Å; Q632-E636 PolarHBondContact O-N 3.35Å
633	K	84.9	Confident	78.7	Confident	112 Å²	112	82.7 Å²	82.7	49%	0.487	42%	0.416	S	S	.	.	H	α-helix	trans	-61.4	-41.8	178	-170.3	175.2	-174.7	-92.9	0	112.7	L629 N635 E636 E637	L629-K633 WeakPolarHBondContact O-CB 3.16Å; L629-K633 PolarHBondContact O-N 3.29Å; K633-N635 PolarHBondContact O-N 3.19Å; K633-E636 PolarHBondContact O-N 2.68Å; K633-E637 IonicContact NZ-OE1 3.58Å; K633-E637 PolarHBondContact NZ-OE1 2.64Å; K633-E637 WeakPolarHBondContact O-CB 3.4Å; K633-E637 WeakPolarHBondContact O-CG 3.41Å; K633-E637 PolarHBondContact O-N 2.97Å
634	A	77.4	Confident	77.6	Confident	17 Å²	17	90.7 Å²	90.7	14%	0.14	45%	0.454	C	S	.	.	H	α-helix	trans	-66.3	-27.3	175.9	0	0	0	0	0	112.9	Q630 L631 Q632 K638	Q630-A634 WeakPolarHBondContact O-CB 3.23Å; Q630-A634 PolarHBondContact O-N 3.48Å; L631-A634 PolarHBondContact O-N 3.14Å; Q632-A634 PolarHBondContact O-N 2.79Å; A634-K638 VanDerWaalsContact O-CB 3.31Å; A634-K638 WeakPolarHBondContact O-CB 3.5Å; A634-K638 PolarHBondContact O-N 2.74Å
635	N	77.9	Confident	76.3	Confident	91 Å²	91	92.2 Å²	92.2	49%	0.487	46%	0.462	S	S	.	.	H	α-helix	trans	-76.5	-39.6	172.8	-167.8	47.5	0	0	0	111.6	L631 Q632 K633 K638 L639	L631-N635 WeakPolarHBondContact O-CB 3.4Å; L631-N635 PolarHBondContact O-N 3.07Å; Q632-N635 CarbonylContact O-C 3.46Å; Q632-N635 WeakPolarHBondContact O-CA 3.42Å; Q632-N635 WeakPolarHBondContact O-CB 3.5Å; Q632-N635 PolarHBondContact O-N 3.4Å; K633-N635 PolarHBondContact O-N 3.19Å; N635-K638 PolarHBondContact O-N 2.91Å; N635-L639 WeakPolarHBondContact O-CB 3.5Å; N635-L639 VanDerWaalsContact O-CG 3.25Å; N635-L639 WeakPolarHBondContact O-CG 3.46Å; N635-L639 PolarHBondContact O-N 3.08Å
636	E	80.1	Confident	75.1	Confident	128 Å²	128	90 Å²	90	60%	0.598	45%	0.447	S	S	*	.	H	α-helix	trans	-62.3	-44.4	171.2	-69.8	-179.1	162.7	0	0	112.2	Q632 K633 L639 L640	Q632-E636 PolarHBondContact O-N 3.35Å; K633-E636 PolarHBondContact O-N 2.68Å; E636-L639 PolarHBondContact O-N 3.5Å; E636-L640 PolarHBondContact O-N 2.95Å
637	E	78.4	Confident	73.7	Confident	86 Å²	86	92.3 Å²	92.3	40%	0.402	46%	0.458	S	S	.	.	H	α-helix	trans	-60.3	-44.5	173.7	-74.7	171.7	177.7	0	0	111	K633 L639 L640 E641	K633-E637 IonicContact NZ-OE1 3.58Å; K633-E637 PolarHBondContact NZ-OE1 2.64Å; K633-E637 WeakPolarHBondContact O-CB 3.4Å; K633-E637 WeakPolarHBondContact O-CG 3.41Å; K633-E637 PolarHBondContact O-N 2.97Å; E637-L639 PolarHBondContact O-N 3.09Å; E637-L640 WeakPolarHBondContact O-CB 3.4Å; E637-L640 PolarHBondContact O-N 3.36Å; E637-E641 WeakPolarHBondContact O-CG 3.49Å; E637-E641 PolarHBondContact O-N 3.44Å
638	K	72.7	Confident	72.6	Confident	74 Å²	74	96.2 Å²	96.2	32%	0.322	48%	0.476	S	S	.	.	H	α-helix	trans	-60.1	-42	173.5	-179.7	-175.8	171.2	-173.9	0	112.5	A634 N635 L640 E641 E642	A634-K638 VanDerWaalsContact O-CB 3.31Å; A634-K638 WeakPolarHBondContact O-CB 3.5Å; A634-K638 PolarHBondContact O-N 2.74Å; N635-K638 PolarHBondContact O-N 2.91Å; K638-L640 VanDerWaalsContact C-N 3.29Å; K638-L640 PolarHBondContact O-N 3.21Å; K638-E641 PolarHBondContact O-N 2.93Å; K638-E642 WeakPolarHBondContact CE-OE1 3.26Å; K638-E642 HydrophobicContact CG-CG 4.34Å; K638-E642 IonicContact NZ-OE1 2.65Å; K638-E642 WeakPolarHBondContact O-CB 3.46Å; K638-E642 WeakPolarHBondContact O-CG 3.44Å; K638-E642 PolarHBondContact O-N 3.43Å
639	L	68.8	Low	71.1	Confident	70 Å²	70	97 Å²	97	37%	0.366	49%	0.49	S	S	.	.	H	α-helix	trans	-66.6	-31.4	177.4	-72.8	174	0	0	0	112.5	N635 E636 E637 G643	N635-L639 WeakPolarHBondContact O-CB 3.5Å; N635-L639 VanDerWaalsContact O-CG 3.25Å; N635-L639 WeakPolarHBondContact O-CG 3.46Å; N635-L639 PolarHBondContact O-N 3.08Å; E636-L639 PolarHBondContact O-N 3.5Å; E637-L639 PolarHBondContact O-N 3.09Å; L639-G643 PolarHBondContact O-N 2.71Å; L639-G643 VanDerWaalsContact O-N 3.12Å
640	L	70.4	Confident	69.9	Low	146 Å²	146	97.3 Å²	97.3	76%	0.764	50%	0.496	S	S	*	.	H	α-helix	trans	-68.9	-42.9	169.9	-92.6	159.8	0	0	0	112.3	E636 E637 K638	E636-L640 PolarHBondContact O-N 2.95Å; E637-L640 WeakPolarHBondContact O-CB 3.4Å; E637-L640 PolarHBondContact O-N 3.36Å; K638-L640 VanDerWaalsContact C-N 3.29Å; K638-L640 PolarHBondContact O-N 3.21Å
641	E	67.9	Low	68.7	Low	154 Å²	154	97.2 Å²	97.2	72%	0.72	50%	0.5	S	S	*	.	H	α-helix	trans	-67	-42.4	177	-72.7	179.3	157.7	0	0	112.9	E637 K638 G643	E637-E641 WeakPolarHBondContact O-CG 3.49Å; E637-E641 PolarHBondContact O-N 3.44Å; K638-E641 PolarHBondContact O-N 2.93Å; E641-G643 VanDerWaalsContact C-N 3.34Å
642	E	66.3	Low	67.4	Low	63 Å²	63	94.1 Å²	94.1	29%	0.294	49%	0.485	S	S	.	.	H	α-helix	trans	-72.7	-27.7	177.9	-72.2	-177.8	165.7	0	0	112.6	K638 R646	K638-E642 WeakPolarHBondContact CE-OE1 3.26Å; K638-E642 HydrophobicContact CG-CG 4.34Å; K638-E642 IonicContact NZ-OE1 2.65Å; K638-E642 WeakPolarHBondContact O-CB 3.46Å; K638-E642 WeakPolarHBondContact O-CG 3.44Å; K638-E642 PolarHBondContact O-N 3.43Å; E642-R646 WeakPolarHBondContact O-CG 3.32Å
643	G	63.6	Low	66.4	Low	27 Å²	27	92.2 Å²	92.2	28%	0.278	49%	0.486	S	S	.	.			trans	75.6	143.1	172.3	0	0	0	0	0	114.7	L639 E641 L645 R646	L639-G643 PolarHBondContact O-N 2.71Å; L639-G643 VanDerWaalsContact O-N 3.12Å; E641-G643 VanDerWaalsContact C-N 3.34Å; G643-L645 PolarHBondContact O-N 2.95Å; G643-R646 PolarHBondContact O-N 3.11Å
644	M	59.5	Low	65.5	Low	172 Å²	172	90.7 Å²	90.7	85%	0.847	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-55.1	-23.4	-173.4	-60.3	-159.5	-58.2	0	0	114.9	R646 Q647	M644-R646 VanDerWaalsContact C-N 3.31Å; M644-R646 PolarHBondContact O-N 3.29Å; M644-Q647 PolarHBondContact O-N 2.88Å
645	L	57.8	Low	64.8	Low	121 Å²	121	93 Å²	93	63%	0.634	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-66.2	-26.5	176.8	-73	168.1	0	0	0	113.7	G643 Q647	G643-L645 PolarHBondContact O-N 2.95Å; L645-Q647 VanDerWaalsContact C-N 3.33Å
646	R	61	Low	64.1	Low	54 Å²	54	93 Å²	93	20%	0.204	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-76.2	-15.4	175.3	-75	-164.3	-170.9	-134.4	10.7	113.6	E642 G643 M644 G652 L655 N656 S659	E642-R646 WeakPolarHBondContact O-CG 3.32Å; G643-R646 PolarHBondContact O-N 3.11Å; M644-R646 VanDerWaalsContact C-N 3.31Å; M644-R646 PolarHBondContact O-N 3.29Å; R646-G652 WeakPolarHBondContact O-CA 3.19Å; R646-L655 HydrophobicContact CG-CB 4.03Å; R646-L655 HydrophobicContact CG-CD1 3.77Å; R646-N656 PolarHBondContact NH1-OD1 2.65Å; R646-S659 PolarHBondContact NH1-O 3.02Å; R646-S659 PolarHBondContact NH2-OG 3.08Å
647	Q	56.3	Low	63.4	Low	138 Å²	138	96.3 Å²	96.3	65%	0.645	50%	0.502	S	S	*	.	S	Bend	trans	-86.4	-14.6	179.5	-69.9	-157.7	-23	0	0	114.7	M644 L645	M644-Q647 PolarHBondContact O-N 2.88Å; L645-Q647 VanDerWaalsContact C-N 3.33Å
648	L	59.8	Low	62.6	Low	95 Å²	95	99.5 Å²	99.5	50%	0.497	52%	0.515	S	S	.	.	S	Bend	trans	-69.9	122.3	173.5	-71.1	169.7	0	0	0	109.4	V650 V651 G652	L648-V650 PolarHBondContact O-N 3.18Å; L648-V651 HydrophobicContact CB-CB 4.11Å; L648-V651 HydrophobicContact CB-CG2 4Å; L648-V651 HydrophobicContact CD1-CG2 4.29Å; L648-V651 PolarHBondContact O-N 3.45Å; L648-G652 PolarHBondContact O-N 3.43Å
649	P	55.3	Low	62	Low	116 Å²	116	98.4 Å²	98.4	75%	0.753	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.3	-165.3	20.9	-33.2	0	0	0	114.8
650	V	61.6	Low	61.3	Low	121 Å²	121	100.2 Å²	100.2	73%	0.733	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-30.8	175.6	-175.1	0	0	0	0	112.3	L648	L648-V650 PolarHBondContact O-N 3.18Å
651	V	56.4	Low	60.6	Low	59 Å²	59	97 Å²	97	36%	0.358	52%	0.519	S	S	.	.	H	α-helix	trans	-91.6	-39.1	-173.6	-171.3	0	0	0	0	111.3	L648 S653 V654 L655	L648-V651 HydrophobicContact CB-CB 4.11Å; L648-V651 HydrophobicContact CB-CG2 4Å; L648-V651 HydrophobicContact CD1-CG2 4.29Å; L648-V651 PolarHBondContact O-N 3.45Å; V651-S653 VanDerWaalsContact C-N 3.34Å; V651-S653 PolarHBondContact O-N 3.08Å; V651-V654 PolarHBondContact O-N 3.04Å; V651-L655 HydrophobicContact CG1-CD1 4Å; V651-L655 PolarHBondContact O-N 3.47Å; V651-L655 VanDerWaalsContact O-N 3.1Å
652	G	56.8	Low	60.1	Low	6 Å²	6	98.9 Å²	98.9	6%	0.062	53%	0.528	C	S	.	.	H	α-helix	trans	-60.3	-38.8	177.2	0	0	0	0	0	113.9	R646 L648 V654 L655 N656	R646-G652 WeakPolarHBondContact O-CA 3.19Å; L648-G652 PolarHBondContact O-N 3.43Å; G652-V654 VanDerWaalsContact C-N 3.32Å; G652-V654 PolarHBondContact O-N 3.06Å; G652-L655 PolarHBondContact O-N 3.47Å; G652-N656 WeakPolarHBondContact O-CB 3.39Å; G652-N656 PolarHBondContact O-N 2.82Å
653	S	62.3	Low	59.6	Low	87 Å²	87	99.8 Å²	99.8	61%	0.608	54%	0.541	S	S	*	.	H	α-helix	trans	-59.7	-41.7	177.2	-179.4	0	0	0	0	112.2	V651 W657	V651-S653 VanDerWaalsContact C-N 3.34Å; V651-S653 PolarHBondContact O-N 3.08Å; S653-W657 PolarHBondContact O-N 2.7Å
654	V	64.8	Low	59.3	Low	80 Å²	80	102.1 Å²	102.1	49%	0.485	55%	0.553	S	S	.	*	H	α-helix	trans	-71.6	-44.1	178.2	-177.1	0	0	0	0	111.1	V651 G652 N656 W657 F658	V651-V654 PolarHBondContact O-N 3.04Å; G652-V654 VanDerWaalsContact C-N 3.32Å; G652-V654 PolarHBondContact O-N 3.06Å; V654-N656 PolarHBondContact O-N 3.18Å; V654-W657 PolarHBondContact O-N 2.92Å; V654-F658 HydrophobicContact CG1-CD2 3.96Å; V654-F658 HydrophobicContact CG1-CE2 3.93Å; V654-F658 WeakPolarHBondContact O-CD2 3.45Å; V654-F658 PolarHBondContact O-N 2.96Å
655	L	63.2	Low	59.3	Low	65 Å²	65	100.9 Å²	100.9	34%	0.34	55%	0.548	S	S	.	.	H	α-helix	trans	-64.8	-38	179.6	-75.6	169.9	0	0	0	112.8	R646 V651 G652 W657 F658 S659	R646-L655 HydrophobicContact CG-CB 4.03Å; R646-L655 HydrophobicContact CG-CD1 3.77Å; V651-L655 HydrophobicContact CG1-CD1 4Å; V651-L655 PolarHBondContact O-N 3.47Å; V651-L655 VanDerWaalsContact O-N 3.1Å; G652-L655 PolarHBondContact O-N 3.47Å; L655-W657 VanDerWaalsContact C-N 3.3Å; L655-W657 PolarHBondContact O-N 3.26Å; L655-F658 PolarHBondContact O-N 3.32Å; L655-S659 PolarHBondContact O-N 3.36Å
656	N	62.2	Low	59.8	Low	90 Å²	90	99.9 Å²	99.9	48%	0.481	54%	0.539	S	S	.	.	H	α-helix	trans	-71	-23.8	175.9	-72.9	-1.2	0	0	0	113	R646 G652 V654 S659	R646-N656 PolarHBondContact NH1-OD1 2.65Å; G652-N656 WeakPolarHBondContact O-CB 3.39Å; G652-N656 PolarHBondContact O-N 2.82Å; V654-N656 PolarHBondContact O-N 3.18Å; N656-S659 CarbonylContact O-C 3.55Å
657	W	65.7	Low	60.2	Low	199 Å²	199	98.2 Å²	98.2	75%	0.754	54%	0.538	S	S	*	.	H	α-helix	trans	-74.9	-40	174.1	-170.3	75.7	0	0	0	112.7	S653 V654 L655	S653-W657 PolarHBondContact O-N 2.7Å; V654-W657 PolarHBondContact O-N 2.92Å; L655-W657 VanDerWaalsContact C-N 3.3Å; L655-W657 PolarHBondContact O-N 3.26Å
658	F	62.2	Low	61.2	Low	153 Å²	153	95.9 Å²	95.9	67%	0.671	52%	0.524	S	S	*	.	H	α-helix	trans	-80.1	-18.4	175.5	-76.9	-73.6	0	0	0	114	V654 L655	V654-F658 HydrophobicContact CG1-CD2 3.96Å; V654-F658 HydrophobicContact CG1-CE2 3.93Å; V654-F658 WeakPolarHBondContact O-CD2 3.45Å; V654-F658 PolarHBondContact O-N 2.96Å; L655-F658 PolarHBondContact O-N 3.32Å
659	S	59.2	Low	62.2	Low	50 Å²	50	94.1 Å²	94.1	35%	0.35	52%	0.517	S	S	.	.			trans	-149.7	81.6	-177.5	173.1	0	0	0	0	109.9	R646 L655 N656	R646-S659 PolarHBondContact NH1-O 3.02Å; R646-S659 PolarHBondContact NH2-OG 3.08Å; L655-S659 PolarHBondContact O-N 3.36Å; N656-S659 CarbonylContact O-C 3.55Å
660	P	55.2	Low	63.1	Low	108 Å²	108	91.1 Å²	91.1	70%	0.701	49%	0.492	S	S	*	.			trans	-67.4	130.2	167.3	29	-33.6	0	0	0	109.2
661	V	56.3	Low	63.7	Low	80 Å²	80	88.2 Å²	88.2	49%	0.485	47%	0.473	S	S	.	.			trans	-96.3	128.7	175.3	-179.1	0	0	0	0	108.1	S663	V661-S663 VanDerWaalsContact C-N 3.33Å; V661-S663 PolarHBondContact O-N 3.15Å
662	E	55.9	Low	64.3	Low	193 Å²	193	90.3 Å²	90.3	90%	0.902	48%	0.481	S	S	*	.			trans	-69	92.6	167.6	-69.4	-172.4	164.8	0	0	108.9	S664	E662-S664 VanDerWaalsContact C-N 3.33Å; E662-S664 PolarHBondContact O-N 3.42Å
663	S	55.7	Low	65	Low	82 Å²	82	94.6 Å²	94.6	57%	0.573	52%	0.516	S	S	*	.			trans	-75	84.2	179.7	62.3	0	0	0	0	110.6	V661 I665	V661-S663 VanDerWaalsContact C-N 3.33Å; V661-S663 PolarHBondContact O-N 3.15Å; S663-I665 PolarHBondContact O-N 2.99Å
664	S	58.2	Low	65.3	Low	75 Å²	75	93.7 Å²	93.7	52%	0.524	51%	0.514	S	S	.	.			trans	-60.4	130.5	165.5	67	0	0	0	0	109.4	E662 K666	E662-S664 VanDerWaalsContact C-N 3.33Å; E662-S664 PolarHBondContact O-N 3.42Å; S664-K666 VanDerWaalsContact C-N 3.35Å; S664-K666 PolarHBondContact O-N 3.2Å
665	I	60.3	Low	65.4	Low	146 Å²	146	91.7 Å²	91.7	75%	0.749	51%	0.51	S	S	*	.			trans	-80.1	90.4	175.8	-58.4	176.6	0	0	0	106.6	S663 G667	S663-I665 PolarHBondContact O-N 2.99Å; I665-G667 VanDerWaalsContact C-N 3.32Å; I665-G667 PolarHBondContact O-N 3.47Å
666	K	66.8	Low	65.9	Low	101 Å²	101	90.6 Å²	90.6	44%	0.439	51%	0.507	S	S	.	.			trans	-64.1	87.1	175.8	-65.3	-179.6	-176.2	173.4	0	109.8	L631 S664	L631-K666 WeakPolarHBondContact CD2-O 3.48Å; S664-K666 VanDerWaalsContact C-N 3.35Å; S664-K666 PolarHBondContact O-N 3.2Å
667	G	70.3	Confident	66.6	Low	19 Å²	19	87.6 Å²	87.6	20%	0.196	49%	0.491	C	S	.	.			trans	-89.6	170.9	171.2	0	0	0	0	0	112.5	I665 T680	I665-G667 VanDerWaalsContact C-N 3.32Å; I665-G667 PolarHBondContact O-N 3.47Å; G667-T680 VanDerWaalsContact C-CG2 3.47Å; G667-T680 VanDerWaalsContact C-OG1 3.27Å; G667-T680 WeakPolarHBondContact CA-OG1 3.49Å; G667-T680 PolarHBondContact N-OG1 3.21Å; G667-T680 PolarHBondContact O-N 3.02Å; G667-T680 PolarHBondContact O-OG1 3.19Å; G667-T680 VanDerWaalsContact O-OG1 3.09Å
668	R	78.1	Confident	67.1	Low	88 Å²	88	81.4 Å²	81.4	33%	0.332	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.7	173.3	-61	-61.8	-179	156.3	0.8	110.4	A627 L631 L677 D678	A627-R668 HydrophobicContact CB-CB 4.22Å; A627-R668 HydrophobicContact CB-CG 4.43Å; L631-R668 HydrophobicContact CD2-CG 4.33Å; L631-R668 HydrophobicContact CG-CG 4.32Å; R668-L677 HydrophobicContact CB-CD2 4.3Å; R668-D678 WeakPolarHBondContact CA-O 3.42Å
669	T	79	Confident	67.8	Low	58 Å²	58	75.7 Å²	75.7	36%	0.356	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.4	170.7	-51	0	0	0	0	107.8	D678 T680	T669-D678 PolarHBondContact N-O 2.98Å; T669-D678 PolarHBondContact O-N 3.29Å; T669-T680 WeakPolarHBondContact OG1-CG2 3.43Å
670	F	75.6	Confident	68.4	Low	54 Å²	54	74.1 Å²	74.1	24%	0.237	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.2	174.1	-173	-118.5	0	0	0	110.3	R619 V620 L672 S676 L677	R619-F670 HydrophobicContact CB-CZ 4.42Å; R619-F670 WeakPolarHBondContact O-CZ 3.28Å; V620-F670 HydrophobicContact CB-CE1 4.46Å; V620-F670 HydrophobicContact CG2-CD1 4.09Å; V620-F670 HydrophobicContact CG2-CE1 3.85Å; F670-L672 HydrophobicContact CD1-CD2 3.94Å; F670-L672 HydrophobicContact CE1-CD2 3.97Å; F670-S676 WeakPolarHBondContact CD2-O 3.32Å; F670-L677 HydrophobicContact CB-CD2 4.01Å; F670-L677 HydrophobicContact CD2-CD2 3.74Å; F670-L677 HydrophobicContact CD2-CG 4.03Å; F670-L677 HydrophobicContact CG-CD2 4.33Å
671	N	74.6	Confident	69	Low	60 Å²	60	72 Å²	72	32%	0.321	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	101.4	-179.5	-174.9	-27.5	0	0	0	109.8	A673 A674 G675 S676	N671-A673 PolarHBondContact O-N 2.86Å; N671-A673 PolarHBondContact OD1-N 3.07Å; N671-A674 HydrophobicContact CB-CB 4.12Å; N671-A674 PolarHBondContact O-N 2.94Å; N671-A674 PolarHBondContact OD1-N 2.64Å; N671-A674 VanDerWaalsContact OD1-N 3.14Å; N671-G675 WeakPolarHBondContact O-CA 3.38Å; N671-G675 PolarHBondContact O-N 3.45Å; N671-S676 PolarHBondContact N-O 3.05Å
672	L	67.6	Low	69.3	Low	102 Å²	102	72.9 Å²	72.9	53%	0.534	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.4	-176.1	-66.8	172.4	0	0	0	113.8	M616 V620 F670	M616-L672 HydrophobicContact CE-CD1 4.32Å; M616-L672 HydrophobicContact CE-CD2 4.46Å; V620-L672 HydrophobicContact CG2-CD2 3.41Å; V620-L672 VanDerWaalsContact CG2-CD2 3.41Å; F670-L672 HydrophobicContact CD1-CD2 3.94Å; F670-L672 HydrophobicContact CE1-CD2 3.97Å
673	A	71	Confident	69.3	Low	97 Å²	97	66.8 Å²	66.8	80%	0.802	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-38.7	-178.2	0	0	0	0	0	112.6	N671	N671-A673 PolarHBondContact O-N 2.86Å; N671-A673 PolarHBondContact OD1-N 3.07Å
674	A	69.7	Low	69.4	Low	67 Å²	67	70 Å²	70	55%	0.554	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-20.4	178.7	0	0	0	0	0	113.7	N671 S676	N671-A674 HydrophobicContact CB-CB 4.12Å; N671-A674 PolarHBondContact O-N 2.94Å; N671-A674 PolarHBondContact OD1-N 2.64Å; N671-A674 VanDerWaalsContact OD1-N 3.14Å; A674-S676 PolarHBondContact O-N 3Å
675	G	67.1	Low	69.2	Low	39 Å²	39	69.3 Å²	69.3	40%	0.402	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	14.3	-170.8	0	0	0	0	0	114.2	N671	N671-G675 WeakPolarHBondContact O-CA 3.38Å; N671-G675 PolarHBondContact O-N 3.45Å
676	S	73.8	Confident	68.9	Low	41 Å²	41	66.2 Å²	66.2	29%	0.287	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	156	-174.4	63.2	0	0	0	0	113.6	F670 N671 A674 D678	F670-S676 WeakPolarHBondContact CD2-O 3.32Å; N671-S676 PolarHBondContact N-O 3.05Å; A674-S676 PolarHBondContact O-N 3Å; S676-D678 PolarHBondContact OG-OD1 2.85Å
677	L	75.8	Confident	68.2	Low	28 Å²	28	69.1 Å²	69.1	15%	0.147	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	102.6	169	-76.4	169.1	0	0	0	110.3	E626 A627 R668 F670	E626-L677 HydrophobicContact CB-CD1 3.58Å; A627-L677 HydrophobicContact CB-CD1 4.11Å; A627-L677 HydrophobicContact CB-CD2 3.84Å; R668-L677 HydrophobicContact CB-CD2 4.3Å; F670-L677 HydrophobicContact CB-CD2 4.01Å; F670-L677 HydrophobicContact CD2-CD2 3.74Å; F670-L677 HydrophobicContact CD2-CG 4.03Å; F670-L677 HydrophobicContact CG-CD2 4.33Å
678	D	77.9	Confident	67.3	Low	68 Å²	68	74.2 Å²	74.2	36%	0.364	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	153.8	179.6	-54.3	-31	0	0	0	109.9	R668 T669 S676	R668-D678 WeakPolarHBondContact CA-O 3.42Å; T669-D678 PolarHBondContact N-O 2.98Å; T669-D678 PolarHBondContact O-N 3.29Å; S676-D678 PolarHBondContact OG-OD1 2.85Å
679	S	75.2	Confident	65.8	Low	33 Å²	33	78.2 Å²	78.2	23%	0.231	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	136.8	176.4	-163.3	0	0	0	0	111.7	D681	S679-D681 PolarHBondContact O-N 3.43Å; S679-D681 VanDerWaalsContact O-N 3.17Å; S679-D681 PolarHBondContact OG-OD2 3.07Å
680	T	71.9	Confident	64.2	Low	17 Å²	17	78.3 Å²	78.3	10%	0.104	46%	0.457	C	S	.	.	H	α-helix	trans	-65.2	-17	176.1	55.7	0	0	0	0	113.2	G667 T669 V682 T683 Y684	G667-T680 VanDerWaalsContact C-CG2 3.47Å; G667-T680 VanDerWaalsContact C-OG1 3.27Å; G667-T680 WeakPolarHBondContact CA-OG1 3.49Å; G667-T680 PolarHBondContact N-OG1 3.21Å; G667-T680 PolarHBondContact O-N 3.02Å; G667-T680 PolarHBondContact O-OG1 3.19Å; G667-T680 VanDerWaalsContact O-OG1 3.09Å; T669-T680 WeakPolarHBondContact OG1-CG2 3.43Å; T680-V682 PolarHBondContact O-N 2.95Å; T680-T683 WeakPolarHBondContact O-CA 3.48Å; T680-T683 WeakPolarHBondContact O-CB 3.35Å; T680-T683 PolarHBondContact O-N 3.45Å; T680-Y684 WeakPolarHBondContact O-CD2 3.48Å; T680-Y684 PolarHBondContact O-N 3.4Å
681	D	67.6	Low	62.5	Low	65 Å²	65	79.4 Å²	79.4	35%	0.348	48%	0.483	S	S	.	.	H	α-helix	trans	-52.6	-38.4	-179.9	-57.1	-55	0	0	0	112.1	S679 S685	S679-D681 PolarHBondContact O-N 3.43Å; S679-D681 VanDerWaalsContact O-N 3.17Å; S679-D681 PolarHBondContact OG-OD2 3.07Å; D681-S685 WeakPolarHBondContact O-CB 3.43Å; D681-S685 PolarHBondContact O-N 2.68Å; D681-S685 PolarHBondContact O-OG 3.12Å
682	V	62.6	Low	60.6	Low	97 Å²	97	87.1 Å²	87.1	59%	0.588	51%	0.508	S	S	*	.	H	α-helix	trans	-69.1	-44.6	177.1	-172.2	0	0	0	0	110.3	T680 Y684 S685 T686	T680-V682 PolarHBondContact O-N 2.95Å; V682-Y684 PolarHBondContact O-N 2.64Å; V682-S685 WeakPolarHBondContact CA-OG 3.3Å; V682-S685 PolarHBondContact O-N 3.31Å; V682-S685 PolarHBondContact O-OG 2.9Å; V682-S685 VanDerWaalsContact O-OG 3.05Å; V682-T686 WeakPolarHBondContact O-CB 3.4Å; V682-T686 PolarHBondContact O-N 2.7Å; V682-T686 PolarHBondContact O-OG1 2.96Å
683	T	57.3	Low	58.9	Low	65 Å²	65	88.6 Å²	88.6	40%	0.399	52%	0.521	S	S	.	.	H	α-helix	trans	-62.6	-40.4	177.6	-40.7	0	0	0	0	112.4	T680 K687	T680-T683 WeakPolarHBondContact O-CA 3.48Å; T680-T683 WeakPolarHBondContact O-CB 3.35Å; T680-T683 PolarHBondContact O-N 3.45Å; T683-K687 WeakPolarHBondContact O-CB 3.44Å; T683-K687 WeakPolarHBondContact O-CG 3.25Å; T683-K687 PolarHBondContact O-N 2.78Å; T683-K687 VanDerWaalsContact O-N 3.07Å
684	Y	57	Low	56.9	Low	150 Å²	150	89 Å²	89	59%	0.588	52%	0.518	S	S	*	.	H	α-helix	trans	-69.3	-49	176.2	-85.2	-76.4	0	0	0	112	T680 V682 T686 K687 V688	T680-Y684 WeakPolarHBondContact O-CD2 3.48Å; T680-Y684 PolarHBondContact O-N 3.4Å; V682-Y684 PolarHBondContact O-N 2.64Å; Y684-T686 VanDerWaalsContact C-N 3.33Å; Y684-T686 PolarHBondContact O-N 2.69Å; Y684-K687 PolarHBondContact O-N 2.89Å; Y684-V688 VanDerWaalsContact O-CG2 3.32Å; Y684-V688 WeakPolarHBondContact O-CG2 3.38Å; Y684-V688 PolarHBondContact O-N 2.75Å
685	S	54.7	Low	55.3	Low	61 Å²	61	94.1 Å²	94.1	43%	0.427	54%	0.535	S	S	.	.	H	α-helix	trans	-61.8	-39.5	179.7	57	0	0	0	0	112.5	D681 V682 V688 Q689	D681-S685 WeakPolarHBondContact O-CB 3.43Å; D681-S685 PolarHBondContact O-N 2.68Å; D681-S685 PolarHBondContact O-OG 3.12Å; V682-S685 WeakPolarHBondContact CA-OG 3.3Å; V682-S685 PolarHBondContact O-N 3.31Å; V682-S685 PolarHBondContact O-OG 2.9Å; V682-S685 VanDerWaalsContact O-OG 3.05Å; S685-V688 PolarHBondContact O-N 2.57Å; S685-Q689 PolarHBondContact O-N 2.86Å
686	T	53	Low	53.6	Low	81 Å²	81	100.9 Å²	100.9	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-65.1	-44.9	172.7	-53.3	0	0	0	0	111.9	V682 Y684 V688 Q689 A690	V682-T686 WeakPolarHBondContact O-CB 3.4Å; V682-T686 PolarHBondContact O-N 2.7Å; V682-T686 PolarHBondContact O-OG1 2.96Å; Y684-T686 VanDerWaalsContact C-N 3.33Å; Y684-T686 PolarHBondContact O-N 2.69Å; T686-V688 VanDerWaalsContact C-N 3.32Å; T686-V688 PolarHBondContact O-N 2.62Å; T686-Q689 PolarHBondContact O-N 3.15Å; T686-Q689 VanDerWaalsContact O-N 3.15Å; T686-A690 WeakPolarHBondContact O-CB 3.23Å; T686-A690 PolarHBondContact O-N 2.79Å
687	K	52.7	Low	51.4	Low	162 Å²	162	106.1 Å²	106.1	70%	0.704	58%	0.581	S	S	*	*	H	α-helix	trans	-66	-29.2	177.7	-80.1	-176.4	175.2	-179.9	0	114	T683 Y684 Q689	T683-K687 WeakPolarHBondContact O-CB 3.44Å; T683-K687 WeakPolarHBondContact O-CG 3.25Å; T683-K687 PolarHBondContact O-N 2.78Å; T683-K687 VanDerWaalsContact O-N 3.07Å; Y684-K687 PolarHBondContact O-N 2.89Å; K687-Q689 VanDerWaalsContact C-N 3.28Å; K687-Q689 PolarHBondContact O-N 3.37Å
688	V	51	Low	49.1	Very low	125 Å²	125	111.9 Å²	111.9	76%	0.758	61%	0.611	S	S	*	*	H	α-helix	trans	-70.8	-23.5	174.6	168.7	0	0	0	0	112.2	Y684 S685 T686	Y684-V688 VanDerWaalsContact O-CG2 3.32Å; Y684-V688 WeakPolarHBondContact O-CG2 3.38Å; Y684-V688 PolarHBondContact O-N 2.75Å; S685-V688 PolarHBondContact O-N 2.57Å; T686-V688 VanDerWaalsContact C-N 3.32Å; T686-V688 PolarHBondContact O-N 2.62Å
689	Q	47.6	Very low	46.7	Very low	172 Å²	172	114.2 Å²	114.2	80%	0.804	63%	0.63	S	S	*	*	H	α-helix	trans	-99.2	-29.3	176.4	-64.9	-177.1	-2.6	0	0	113.5	S685 T686 K687 G691	S685-Q689 PolarHBondContact O-N 2.86Å; T686-Q689 PolarHBondContact O-N 3.15Å; T686-Q689 VanDerWaalsContact O-N 3.15Å; K687-Q689 VanDerWaalsContact C-N 3.28Å; K687-Q689 PolarHBondContact O-N 3.37Å; Q689-G691 PolarHBondContact O-N 3.49Å
690	A	44.2	Very low	44.3	Very low	61 Å²	61	118.7 Å²	118.7	50%	0.504	66%	0.656	S	S	.	*			trans	-86.6	64.2	-174.2	0	0	0	0	0	113.4	T686 R692	T686-A690 WeakPolarHBondContact O-CB 3.23Å; T686-A690 PolarHBondContact O-N 2.79Å; A690-R692 PolarHBondContact O-N 3.39Å
691	G	41.1	Very low	42.1	Very low	76 Å²	76	126.1 Å²	126.1	78%	0.784	69%	0.694	S	S	*	*			trans	-70	36.3	176.7	0	0	0	0	0	116.3	Q689	Q689-G691 PolarHBondContact O-N 3.49Å
692	R	33.3	Very low	40.1	Very low	222 Å²	222	128.1 Å²	128.1	84%	0.838	71%	0.713	S	S	*	*	S	Bend	trans	-168.2	130.3	167.9	-116.1	166.9	-179	171.7	-1	114.1	A690	A690-R692 PolarHBondContact O-N 3.39Å
693	T	32.8	Very low	38.5	Very low	134 Å²	134	128.3 Å²	128.3	82%	0.822	72%	0.724	S	S	*	*			trans	19.6	117.3	149.3	52.9	0	0	0	0	120.2
694	S	29.2	Very low	37.2	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	75%	0.747	S	S	*	*			trans	-140	112.5	135.4	59.7	0	0	0	0	109.3
695	L	36.4	Very low	36.1	Very low	174 Å²	174	136.8 Å²	136.8	91%	0.911	75%	0.754	S	S	*	*			trans	-71.1	144.4	154.5	-72	164.3	0	0	0	107
696	Q	31.1	Very low	34.9	Very low	181 Å²	181	141.3 Å²	141.3	85%	0.846	77%	0.772	S	S	*	*			trans	-131.7	144	165.6	-77.1	-169.1	-45.2	0	0	108.2
697	D	26	Very low	34.2	Very low	151 Å²	151	143.5 Å²	143.5	81%	0.807	79%	0.791	S	S	*	*			trans	-80.1	145.9	-155.2	-51.6	-83	0	0	0	113.4
698	I	27.8	Very low	33.8	Very low	149 Å²	149	139.7 Å²	139.7	76%	0.764	80%	0.797	S	S	*	*			trans	-74.9	124.7	164.1	-60.1	171.7	0	0	0	106.7	T700	I698-T700 PolarHBondContact O-N 3.48Å
699	P	27.9	Very low	33.5	Very low	117 Å²	117	142 Å²	142	76%	0.76	80%	0.8	S	S	*	*			trans	-71.9	92	176.4	29.3	-33.8	0	0	0	110.2	L701	P699-L701 PolarHBondContact O-N 2.83Å; P699-L701 VanDerWaalsContact O-N 3.13Å
700	T	24.9	Very low	33.9	Very low	127 Å²	127	139.9 Å²	139.9	78%	0.779	79%	0.785	S	S	*	*			trans	-65	108.5	167.9	43.9	0	0	0	0	109.6	I698 S702	I698-T700 PolarHBondContact O-N 3.48Å; T700-S702 PolarHBondContact O-N 2.9Å
701	L	26.2	Very low	34.7	Very low	173 Å²	173	138.2 Å²	138.2	91%	0.906	77%	0.767	S	S	*	*			trans	-62.8	114.8	172	-75	171.3	0	0	0	109.4	P699 A703	P699-L701 PolarHBondContact O-N 2.83Å; P699-L701 VanDerWaalsContact O-N 3.13Å; L701-A703 PolarHBondContact O-N 2.97Å
702	S	25.6	Very low	36.1	Very low	107 Å²	107	134.7 Å²	134.7	75%	0.748	73%	0.73	S	S	*	*			trans	-79.9	90	-176	49.9	0	0	0	0	111.1	T700 K704	T700-S702 PolarHBondContact O-N 2.9Å; S702-K704 PolarHBondContact O-N 2.91Å
703	A	27.7	Very low	37.9	Very low	100 Å²	100	128.7 Å²	128.7	83%	0.826	71%	0.708	S	S	*	*			trans	-66.2	76.7	171.7	0	0	0	0	0	111.8	L701 R705	L701-A703 PolarHBondContact O-N 2.97Å; A703-R705 PolarHBondContact O-N 3.13Å
704	K	30.5	Very low	39.4	Very low	202 Å²	202	127 Å²	127	88%	0.878	69%	0.686	S	S	*	*			trans	-73.8	77.7	164.7	-80.2	-169.3	173.5	-175.3	0	109.8	S702	S702-K704 PolarHBondContact O-N 2.91Å
705	R	33.6	Very low	39.9	Very low	192 Å²	192	128.4 Å²	128.4	73%	0.725	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-92.4	138.9	159.4	-120.6	178.6	-178.4	167.3	1.9	109.3	A703	A703-R705 PolarHBondContact O-N 3.13Å
706	L	31.1	Very low	40.4	Very low	155 Å²	155	123.7 Å²	123.7	81%	0.812	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-76.9	133.1	172.5	-72.3	162.3	0	0	0	108.4	G708	L706-G708 PolarHBondContact O-N 3.06Å
707	S	36.8	Very low	40.8	Very low	127 Å²	127	119 Å²	119	89%	0.888	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	126.5	177.5	52.6	0	0	0	0	111.1
708	G	43.9	Very low	41.1	Very low	82 Å²	82	115.1 Å²	115.1	85%	0.845	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	121.7	1.8	164.3	0	0	0	0	0	117.6	L706	L706-G708 PolarHBondContact O-N 3.06Å
709	Q	45.6	Very low	41.3	Very low	174 Å²	174	114 Å²	114	81%	0.813	68%	0.679	S	S	*	*			trans	-107.6	116.7	170.5	-69.6	-175.5	-61.2	0	0	110.3
710	R	56.7	Low	41.6	Very low	128 Å²	128	115.2 Å²	115.2	48%	0.483	68%	0.679	S	S	.	*			trans	-70.7	144.7	168.1	-63.6	-176.7	176.3	-170.5	-8.7	109.3	D565	D565-R710 IonicContact OD1-CZ 3.37Å; D565-R710 IonicContact OD1-NH1 2.71Å; D565-R710 PolarHBondContact OD1-NH1 3.37Å; D565-R710 IonicContact OD1-NH2 3.19Å; D565-R710 VanDerWaalsContact OD2-CD 3.25Å; D565-R710 WeakPolarHBondContact OD2-CD 3.17Å; D565-R710 IonicContact OD2-CZ 3.4Å; D565-R710 IonicContact OD2-NE 3.95Å; D565-R710 IonicContact OD2-NH1 3.61Å; D565-R710 PolarHBondContact OD2-NH1 2.65Å
711	L	60.1	Low	41.7	Very low	26 Å²	26	114.9 Å²	114.9	14%	0.136	68%	0.682	C	S	.	*	T	Hydrogen-bonded Turn	trans	-64.6	158.4	179.7	-79.6	120.4	0	0	0	112.5	L562 T564 R713	L562-L711 HydrophobicContact CB-CD1 4.31Å; L562-L711 HydrophobicContact CD2-CD1 4.44Å; T564-L711 HydrophobicContact CG2-CB 3.72Å; T564-L711 HydrophobicContact CG2-CD1 4.13Å; L711-R713 PolarHBondContact O-N 3.06Å; L711-R713 VanDerWaalsContact O-N 3.12Å
712	F	70	Confident	41.9	Very low	2 Å²	2	113.8 Å²	113.8	1%	0.009	68%	0.675	C	S	.	*	T	Hydrogen-bonded Turn	trans	61.5	14.9	171.7	-40.8	-43	0	0	0	116	L562 T564 I566 V590 D591 E594 L595 T598	L562-F712 HydrophobicContact CD1-CE2 4.32Å; L562-F712 HydrophobicContact CD1-CZ 3.87Å; T564-F712 HydrophobicContact CG2-CD2 3.77Å; T564-F712 HydrophobicContact CG2-CE2 3.49Å; T564-F712 VanDerWaalsContact CG2-CE2 3.49Å; T564-F712 HydrophobicContact CG2-CZ 4.37Å; I566-F712 HydrophobicContact CD1-CD2 3.96Å; V590-F712 CarbonylContact C-O 3.5Å; V590-F712 VanDerWaalsContact CA-O 3.3Å; V590-F712 WeakPolarHBondContact CA-O 3.39Å; V590-F712 HydrophobicContact CG1-CB 4.37Å; D591-F712 PolarHBondContact N-O 2.83Å; E594-F712 HydrophobicContact CB-CD1 4.26Å; E594-F712 HydrophobicContact CG-CD1 3.92Å; E594-F712 PolarHBondContact OE1-N 2.84Å; E594-F712 WeakPolarHBondContact OE2-CA 3.46Å; L595-F712 HydrophobicContact CB-CD1 4.48Å; L595-F712 HydrophobicContact CB-CG 4.35Å; L595-F712 HydrophobicContact CD1-CD2 3.83Å; L595-F712 HydrophobicContact CD1-CE2 3.58Å; L595-F712 HydrophobicContact CD1-CG 4.4Å; L595-F712 HydrophobicContact CD1-CZ 4Å; T598-F712 HydrophobicContact CG2-CE1 3.78Å; T598-F712 HydrophobicContact CG2-CZ 3.82Å; T598-F712 WeakPolarHBondContact OG1-CE1 3.22Å
713	R	71.1	Confident	42.1	Very low	96 Å²	96	113.1 Å²	113.1	36%	0.362	67%	0.67	S	S	.	*	B	Isolated β-bridge	trans	-93.5	122.8	179.3	-70.6	-173	178.1	-128.2	2.9	112.1	D565 D589 L711	D565-R713 IonicContact OD2-CZ 2.89Å; D565-R713 IonicContact OD2-NE 2.7Å; D565-R713 IonicContact OD2-NH2 2.68Å; D565-R713 PolarHBondContact OD2-NH2 2.89Å; D589-R713 CarbonylContact O-C 3.44Å; D589-R713 WeakPolarHBondContact O-CA 3.29Å; D589-R713 WeakPolarHBondContact OD2-CD 3.18Å; D589-R713 WeakPolarHBondContact OD2-CG 3.21Å; D589-R713 IonicContact OD2-CZ 2.79Å; D589-R713 IonicContact OD2-NE 3.58Å; D589-R713 PolarHBondContact OD2-NE 2.86Å; D589-R713 IonicContact OD2-NH1 3.57Å; D589-R713 PolarHBondContact OD2-NH1 3.17Å; L711-R713 PolarHBondContact O-N 3.06Å; L711-R713 VanDerWaalsContact O-N 3.12Å
714	R	65	Low	42.1	Very low	99 Å²	99	116.6 Å²	116.6	37%	0.374	67%	0.669	S	S	.	*			trans	-48.9	122.7	176.9	-72.1	171.1	171.5	168.9	-5.6	110.7	D588 D589 V590 D591 G716	D588-R714 PolarHBondContact O-NH1 3.49Å; D589-R714 WeakPolarHBondContact O-CB 3.34Å; D589-R714 WeakPolarHBondContact O-CG 3.39Å; D589-R714 PolarHBondContact O-N 2.77Å; V590-R714 PolarHBondContact O-NE 3.23Å; D591-R714 HydrophobicContact CB-CG 3.86Å; R714-G716 PolarHBondContact O-N 2.99Å
715	P	39.3	Very low	41.9	Very low	134 Å²	134	113.2 Å²	113.2	87%	0.87	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	85.5	-173.1	28.6	-35.5	0	0	0	112.3
716	G	47.5	Very low	41.7	Very low	75 Å²	75	109.8 Å²	109.8	77%	0.773	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	173	-16.8	174.3	0	0	0	0	0	116.9	R714 G718	R714-G716 PolarHBondContact O-N 2.99Å; G716-G718 VanDerWaalsContact C-N 3.27Å; G716-G718 PolarHBondContact O-N 2.91Å
717	A	39.6	Very low	41.5	Very low	84 Å²	84	108.1 Å²	108.1	69%	0.694	67%	0.672	S	S	*	*			trans	-80.2	58.6	-174.2	0	0	0	0	0	114.2	D589	D589-A717 HydrophobicContact CB-CB 4.3Å
718	G	31.6	Very low	41.1	Very low	69 Å²	69	110 Å²	110	71%	0.711	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-100.5	120.6	172.7	0	0	0	0	0	112	G716	G716-G718 VanDerWaalsContact C-N 3.27Å; G716-G718 PolarHBondContact O-N 2.91Å
719	S	33.5	Very low	40.2	Very low	124 Å²	124	109.2 Å²	109.2	87%	0.867	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-72.1	139.1	172.8	-172	0	0	0	0	111.3	S721	S719-S721 PolarHBondContact O-N 3.4Å
720	D	33	Very low	39.7	Very low	143 Å²	143	106.8 Å²	106.8	77%	0.765	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-60.5	128	174.5	-86	-52.3	0	0	0	111.9
721	S	27.7	Very low	38.2	Very low	121 Å²	121	105.4 Å²	105.4	85%	0.846	68%	0.678	S	S	*	*			trans	-146.8	139.8	149.6	-165.4	0	0	0	0	108.9	S719	S719-S721 PolarHBondContact O-N 3.4Å
722	M	30.1	Very low	36.6	Very low	150 Å²	150	111.9 Å²	111.9	74%	0.739	71%	0.712	S	S	*	*			trans	-94.4	160.9	-157.3	-76.4	-79.9	172.2	0	0	114.6
723	S	29.4	Very low	34.5	Very low	93 Å²	93	120 Å²	120	65%	0.65	75%	0.75	S	S	*	*			trans	74.6	141.3	160.1	-69.4	0	0	0	0	117.4
724	E	27.3	Very low	32.4	Very low	173 Å²	173	121.4 Å²	121.4	81%	0.808	78%	0.775	S	S	*	*			cis	-153.3	171.4	-3.7	-130	155.3	-109.9	0	0	114
725	T	28.1	Very low	30.5	Very low	130 Å²	130	122.6 Å²	122.6	80%	0.798	80%	0.798	S	S	*	*			trans	-69.5	145.5	-172.1	56.9	0	0	0	0	114.8
726	S	28.3	Very low	29.9	Very low	120 Å²	120	119.9 Å²	119.9	84%	0.839	80%	0.795	S	S	*	*			trans	-155.4	147.1	133.7	48	0	0	0	0	112.6
727	S	27.6	Very low	28.9	Very low	120 Å²	120	123 Å²	123	84%	0.839	80%	0.799	S	S	*	*			trans	-79.5	140.4	-173.1	-170.9	0	0	0	0	112.4
728	I	28.5	Very low	28.2	Very low	167 Å²	167	127.5 Å²	127.5	86%	0.856	81%	0.805	S	S	*	*			trans	-75.3	136.6	161.1	-72.1	174.7	0	0	0	109.3
729	G	24.3	Very low	27.7	Very low	65 Å²	65	128.3 Å²	128.3	67%	0.67	80%	0.8	S	S	*	*			trans	-148.8	134.7	167.2	0	0	0	0	0	107.5
730	P	35.3	Very low	27.3	Very low	124 Å²	124	131.6 Å²	131.6	81%	0.805	80%	0.799	S	S	*	*			trans	-96.6	154.9	-151.1	35.9	-37.3	0	0	0	116
731	A	25.9	Very low	26.8	Very low	99 Å²	99	130.3 Å²	130.3	82%	0.818	80%	0.797	S	S	*	*			trans	61.3	126.1	154	0	0	0	0	0	119.5
732	D	25	Very low	26.6	Very low	161 Å²	161	133.4 Å²	133.4	86%	0.861	80%	0.8	S	S	*	*				-152.6	167.6	101.8	-143.5	-20.6	0	0	0	111.2
733	E	27.2	Very low	26.2	Very low	173 Å²	173	131.4 Å²	131.4	81%	0.808	80%	0.801	S	S	*	*			trans	-84.5	149.9	173.7	-60.7	-175.5	128.1	0	0	112.1
734	S	26	Very low	26.8	Very low	126 Å²	126	132 Å²	132	88%	0.881	80%	0.803	S	S	*	*				172.7	156.5	126.1	43.8	0	0	0	0	114
735	S	25.9	Very low	26.8	Very low	124 Å²	124	131 Å²	131	87%	0.867	80%	0.803	S	S	*	*			trans	-84.3	144.3	177.2	55.2	0	0	0	0	113.3
736	G	25.8	Very low	26.8	Very low	77 Å²	77	132.6 Å²	132.6	79%	0.794	81%	0.805	S	S	*	*			trans	-151	134.2	167.8	0	0	0	0	0	112.5
737	V	26.2	Very low	26.8	Very low	141 Å²	141	135 Å²	135	86%	0.855	80%	0.802	S	S	*	*			trans	-127.7	166.7	175.2	179.7	0	0	0	0	107.6
738	E	24.9	Very low	27.5	Very low	177 Å²	177	134.2 Å²	134.2	83%	0.827	79%	0.794	S	S	*	*			trans	78.3	131.5	-176.9	-50	-177.9	174.3	0	0	113.5
739	S	22.4	Very low	27.4	Very low	87 Å²	87	130.6 Å²	130.6	61%	0.608	78%	0.784	S	S	*	*			cis	106.8	122.1	10.1	82	0	0	0	0	115.6
740	F	24.2	Very low	27.6	Very low	192 Å²	192	135.7 Å²	135.7	84%	0.842	79%	0.792	S	S	*	*			trans	67.5	154.6	171.9	-57	-74.8	0	0	0	115.6
741	T	22.5	Very low	27.1	Very low	117 Å²	117	133.7 Å²	133.7	72%	0.718	78%	0.781	S	S	*	*			cis	-155.3	161.5	3.5	-12	0	0	0	0	113.2
742	M	23.1	Very low	27.2	Very low	185 Å²	185	137.9 Å²	137.9	91%	0.911	79%	0.786	S	S	*	*			trans	79.4	133.8	145.1	-87	-177.8	172.8	0	0	124
743	S	23.3	Very low	27.3	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	78%	0.781	S	S	*	*			trans	-87.4	-173	167.1	-38.8	0	0	0	0	111.6
744	P	42.3	Very low	27.5	Very low	106 Å²	106	135.6 Å²	135.6	69%	0.688	78%	0.782	S	S	*	*				-157.6	166.8	82.4	42.4	-22.7	0	0	0	118.9
745	N	25.9	Very low	28.2	Very low	152 Å²	152	134.6 Å²	134.6	81%	0.813	77%	0.773	S	S	*	*			trans	69.8	153.7	158.7	-56.6	-28	0	0	0	117.2
746	I	28.7	Very low	28.3	Very low	162 Å²	162	136.7 Å²	136.7	83%	0.831	77%	0.769	S	S	*	*			cis	-127.6	148.2	18.7	-67.1	168.4	0	0	0	112.2
747	H	28	Very low	28.4	Very low	170 Å²	170	139.2 Å²	139.2	79%	0.787	77%	0.769	S	S	*	*			trans	-112.9	161	171.2	-114.5	-33.9	0	0	0	109.2
748	P	41.3	Very low	28.5	Very low	104 Å²	104	136.6 Å²	136.6	68%	0.675	76%	0.763	S	S	*	*				-157.4	158.2	67.3	43.5	-23.3	0	0	0	119.9
749	S	27.2	Very low	28.6	Very low	91 Å²	91	136.5 Å²	136.5	64%	0.636	76%	0.762	S	S	*	*			trans	60.8	152.8	133.6	68.8	0	0	0	0	122.7
750	M	27.6	Very low	28.8	Very low	173 Å²	173	140.4 Å²	140.4	85%	0.852	77%	0.77	S	S	*	*			cis	-175.7	167.9	-11.5	-102.9	166.2	74.5	0	0	107.2
751	S	26.7	Very low	29.1	Very low	81 Å²	81	135.3 Å²	135.3	57%	0.566	76%	0.764	S	S	*	*			cis	178.9	136.4	-36.9	55.2	0	0	0	0	109.7
752	M	27.8	Very low	29.5	Very low	187 Å²	187	137.3 Å²	137.3	92%	0.921	77%	0.765	S	S	*	*			trans	65.5	158.5	166.3	-69.1	-170.5	175	0	0	116.9
753	S	27.3	Very low	29.9	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	75%	0.753	S	S	*	*			cis	-162.8	-176.8	-15.9	48.8	0	0	0	0	110.2
754	Q	29.6	Very low	30.2	Very low	177 Å²	177	136 Å²	136	83%	0.827	75%	0.751	S	S	*	*			trans	-55.1	168.9	164.6	-72.1	176.5	-22.1	0	0	113
755	P	41.2	Very low	29.5	Very low	106 Å²	106	137.6 Å²	137.6	69%	0.688	76%	0.759	S	S	*	*			cis	-148.9	-177.3	27.2	44.9	-24	0	0	0	119.7
756	E	28.1	Very low	29.9	Very low	168 Å²	168	140.8 Å²	140.8	79%	0.785	76%	0.759	S	S	*	*			trans	61.4	139.3	138.9	-82.9	174.5	178.6	0	0	126.9
757	T	27.8	Very low	31.1	Very low	129 Å²	129	138.7 Å²	138.7	79%	0.791	76%	0.756	S	S	*	*			trans	79.1	126.7	143.6	51	0	0	0	0	125.2
758	A	27.7	Very low	31.4	Very low	87 Å²	87	135.2 Å²	135.2	72%	0.719	76%	0.757	S	S	*	*			trans	75	117.4	130.1	0	0	0	0	0	124.7
759	E	28	Very low	30.9	Very low	174 Å²	174	133.2 Å²	133.2	81%	0.813	76%	0.756	S	S	*	*				57.8	149.4	128.4	-59.3	-162.5	131.1	0	0	125.8
760	H	26.8	Very low	31.2	Very low	170 Å²	170	136.8 Å²	136.8	79%	0.787	77%	0.767	S	S	*	*			trans	93.1	126.9	174.6	-59.2	-56.6	0	0	0	116.5
761	A	29.4	Very low	31.4	Very low	85 Å²	85	136.3 Å²	136.3	70%	0.702	77%	0.767	S	S	*	*			cis	75.2	139.1	45.9	0	0	0	0	0	112.5
762	E	30.9	Very low	31.5	Very low	159 Å²	159	135.8 Å²	135.8	74%	0.743	77%	0.774	S	S	*	*			cis	-161.4	-166.3	12.3	-147.9	-169.4	-141	0	0	111.6
763	A	32.4	Very low	31.7	Very low	79 Å²	79	134.6 Å²	134.6	65%	0.653	77%	0.771	S	S	*	*			trans	74.5	149.8	150.5	0	0	0	0	0	120.1
764	Y	29.8	Very low	33.3	Very low	187 Å²	187	134.6 Å²	134.6	73%	0.733	77%	0.769	S	S	*	*			cis	-158.7	170.6	-20.5	-113.3	-58.8	0	0	0	106.7
765	V	28.1	Very low	33.3	Very low	140 Å²	140	135.5 Å²	135.5	85%	0.848	77%	0.773	S	S	*	*				-164.2	160.5	62.3	171.9	0	0	0	0	110
766	R	32.8	Very low	32.8	Very low	218 Å²	218	139.2 Å²	139.2	82%	0.823	78%	0.781	S	S	*	*			trans	-106.6	-152.4	-175.2	-121.7	-175.4	-168.1	168.1	4.7	111.7
767	P	54.2	Low	33.1	Very low	118 Å²	118	137.7 Å²	137.7	77%	0.766	78%	0.783	S	S	*	*			cis	-121.3	-156.6	-4.1	46.9	-30.6	0	0	0	111.3
768	A	35.7	Very low	33.2	Very low	97 Å²	97	140.2 Å²	140.2	80%	0.802	79%	0.786	S	S	*	*			cis	-161.3	170.8	-15.3	0	0	0	0	0	107.2
769	G	29.3	Very low	33.3	Very low	63 Å²	63	140.6 Å²	140.6	65%	0.649	79%	0.789	S	S	*	*			cis	133.6	141.2	-6.6	0	0	0	0	0	114.5
770	L	33.3	Very low	33.5	Very low	166 Å²	166	140.9 Å²	140.9	87%	0.869	79%	0.791	S	S	*	*			trans	76.8	150.7	168.2	-49.7	171.6	0	0	0	116
771	L	33.2	Very low	33.8	Very low	163 Å²	163	140 Å²	140	85%	0.853	79%	0.787	S	S	*	*			cis	-163.8	161.8	-2.3	-123.9	166.9	0	0	0	110
772	G	28.3	Very low	34	Very low	70 Å²	70	142 Å²	142	72%	0.722	78%	0.782	S	S	*	*			trans	122.9	134.1	147.5	0	0	0	0	0	120
773	N	31.5	Very low	33.9	Very low	161 Å²	161	144.3 Å²	144.3	86%	0.861	78%	0.783	S	S	*	*			trans	-144.1	172.3	165.9	-127.8	14.5	0	0	0	105.2
774	P	60.4	Low	34.1	Very low	109 Å²	109	149.1 Å²	149.1	71%	0.708	79%	0.792	S	S	*	*			cis	-129.6	-177	-28.2	41.7	-27.3	0	0	0	112
775	E	30.3	Very low	35.3	Very low	196 Å²	196	145.2 Å²	145.2	92%	0.916	79%	0.79	S	S	*	*			trans	-159.3	171.6	148.4	-130.2	165.3	-154.5	0	0	112.7
776	Q	31.8	Very low	35.6	Very low	185 Å²	185	147.6 Å²	147.6	86%	0.864	79%	0.792	S	S	*	*			trans	-116.2	153.9	-168	-51.9	167.3	-81.7	0	0	112.3
777	V	32.5	Very low	35.5	Very low	136 Å²	136	140.7 Å²	140.7	82%	0.824	79%	0.789	S	S	*	*			trans	-151.6	150.9	139.4	169.3	0	0	0	0	109.6
778	E	30.8	Very low	34.5	Very low	181 Å²	181	144.4 Å²	144.4	85%	0.846	80%	0.796	S	S	*	*			trans	-57.9	175.7	177.5	-54.4	152	148.4	0	0	113.9
779	A	30.5	Very low	34.6	Very low	96 Å²	96	148.5 Å²	148.5	79%	0.793	80%	0.799	S	S	*	*			cis	-155.1	170.8	19.8	0	0	0	0	0	114.5
780	E	32.3	Very low	35.2	Very low	180 Å²	180	154.9 Å²	154.9	84%	0.841	81%	0.811	S	S	*	*			trans	-77	-176.2	159.9	-59.9	156.3	130	0	0	109.1
781	E	32.7	Very low	35.7	Very low	152 Å²	152	154.1 Å²	154.1	71%	0.71	81%	0.808	S	S	*	*			cis	-165.3	161.2	17	-153.9	-178	-176.5	0	0	111.2
782	E	32.7	Very low	36.3	Very low	126 Å²	126	154 Å²	154	59%	0.589	81%	0.808	S	S	*	*			trans	71.5	155	141.8	-109.5	-168.3	158.4	0	0	126.5
783	R	30.1	Very low	37.3	Very low	207 Å²	207	156.1 Å²	156.1	78%	0.781	81%	0.812	S	S	*	*			trans	81	109.9	152.3	-72.1	167.8	-145.3	-135.4	-1.4	123.3
784	Q	35.1	Very low	38.1	Very low	180 Å²	180	152 Å²	152	84%	0.841	81%	0.807	S	S	*	*			trans	-77.4	-176.2	137.2	-52.2	179.2	-23.3	0	0	109.6
785	P	55.6	Low	37.5	Very low	106 Å²	106	162.4 Å²	162.4	69%	0.688	83%	0.832	S	S	*	*			cis	-138.7	-159.4	2.5	30.6	-3.9	0	0	0	115
786	E	33.9	Very low	37.8	Very low	189 Å²	189	160.7 Å²	160.7	88%	0.883	83%	0.828	S	S	*	*			trans	94.1	141.4	157.5	-54.3	-165.2	160.3	0	0	120.7
787	G	30.8	Very low	38.1	Very low	74 Å²	74	159.4 Å²	159.4	76%	0.763	83%	0.826	S	S	*	*			trans	93.8	130.8	172.6	0	0	0	0	0	115.3
788	Q	33.6	Very low	38.4	Very low	195 Å²	195	160.7 Å²	160.7	91%	0.911	83%	0.826	S	S	*	*			cis	-157.9	161.9	-9.6	-142.5	166.1	1.7	0	0	109.8
789	E	37.6	Very low	38.9	Very low	184 Å²	184	159.5 Å²	159.5	86%	0.86	83%	0.825	S	S	*	*			trans	-75.1	147.9	174.3	-58.8	162.4	121.4	0	0	111.3
790	E	42.7	Very low	39.4	Very low	196 Å²	196	163.5 Å²	163.5	92%	0.916	83%	0.827	S	S	*	*			trans	-149.5	117.2	138.2	-135.4	171.8	-141.7	0	0	110.8
791	D	44.5	Very low	39.9	Very low	150 Å²	150	162.4 Å²	162.4	80%	0.802	83%	0.826	S	S	*	*			trans	-97	140	176.6	179.1	22.3	0	0	0	109
792	L	45.1	Very low	40.4	Very low	161 Å²	161	163.1 Å²	163.1	84%	0.843	83%	0.834	S	S	*	*			trans	-158.2	122	165.7	-113.8	175.5	0	0	0	113.4
793	S	48.9	Very low	41	Very low	115 Å²	115	166 Å²	166	80%	0.804	85%	0.853	S	S	*	*			trans	-79.6	155.4	-175.9	56.1	0	0	0	0	114.6
794	G	49.3	Very low	41.9	Very low	74 Å²	74	162.6 Å²	162.6	76%	0.763	86%	0.859	S	S	*	*			trans	-134.5	6.6	-166	0	0	0	0	0	119.5
795	R	46	Very low	42.5	Very low	327 Å²	327	161 Å²	161	100%	1.234	86%	0.861	S	S	*	*			trans	78	0	-171.4	-60.2	-179.3	168.2	179.4	-3.6	116.8

Retrieved 795 of 795 residues in 675.6 ms (Link to these results)

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